smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156543235 545634899 /nfs/dbraw/zinc/63/48/99/545634899.db2.gz BBWRLTIYLFTLSH-LPHOPBHVSA-N 2 2 355.486 2.148 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156543235 545634901 /nfs/dbraw/zinc/63/49/01/545634901.db2.gz BBWRLTIYLFTLSH-LPHOPBHVSA-N 2 2 355.486 2.148 20 10 FECDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1O ZINC000184980825 547911125 /nfs/dbraw/zinc/91/11/25/547911125.db2.gz NJENFMKWFSHFAL-HNNXBMFYSA-N 2 2 359.449 2.184 20 10 FECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C(C)C)nn3)cc2F)CC1 ZINC000289161637 552275483 /nfs/dbraw/zinc/27/54/83/552275483.db2.gz AKQRNMMLYPGQAV-UHFFFAOYSA-N 2 2 360.481 2.430 20 10 FECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000808694922 674468873 /nfs/dbraw/zinc/46/88/73/674468873.db2.gz CHJNURWWWOANFT-WBVHZDCISA-N 2 2 367.921 2.411 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888886 680849436 /nfs/dbraw/zinc/84/94/36/680849436.db2.gz DMODURALJZFUJJ-INIZCTEOSA-N 2 2 353.894 2.386 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888886 680849437 /nfs/dbraw/zinc/84/94/37/680849437.db2.gz DMODURALJZFUJJ-INIZCTEOSA-N 2 2 353.894 2.386 20 10 FECDLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057567 680984975 /nfs/dbraw/zinc/98/49/75/680984975.db2.gz KIEYPAKRRHVFDE-BBRMVZONSA-N 2 2 351.878 2.126 20 10 FECDLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057567 680984976 /nfs/dbraw/zinc/98/49/76/680984976.db2.gz KIEYPAKRRHVFDE-BBRMVZONSA-N 2 2 351.878 2.126 20 10 FECDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506531 681311920 /nfs/dbraw/zinc/31/19/20/681311920.db2.gz AKIIADXXDPLIIY-SJLPKXTDSA-N 2 2 367.921 2.493 20 10 FECDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000848930919 681644061 /nfs/dbraw/zinc/64/40/61/681644061.db2.gz YTTUMFVKBBZGNK-MRXNPFEDSA-N 2 2 350.459 2.096 20 10 FECDLP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000848930919 681644064 /nfs/dbraw/zinc/64/40/64/681644064.db2.gz YTTUMFVKBBZGNK-MRXNPFEDSA-N 2 2 350.459 2.096 20 10 FECDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426560 /nfs/dbraw/zinc/42/65/60/546426560.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426563 /nfs/dbraw/zinc/42/65/63/546426563.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426565 /nfs/dbraw/zinc/42/65/65/546426565.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426567 /nfs/dbraw/zinc/42/65/67/546426567.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639050 549999012 /nfs/dbraw/zinc/99/90/12/549999012.db2.gz VKRCOXFBJQUYDU-IBGZPJMESA-N 2 2 353.466 2.489 20 10 FECDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639050 549999014 /nfs/dbraw/zinc/99/90/14/549999014.db2.gz VKRCOXFBJQUYDU-IBGZPJMESA-N 2 2 353.466 2.489 20 10 FECDLP COc1cc(O)c(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)cc1OC ZINC000271809785 550403577 /nfs/dbraw/zinc/40/35/77/550403577.db2.gz LVPHCZNVDKOTGD-LBPRGKRZSA-N 2 2 351.472 2.018 20 10 FECDLP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273348299 550495329 /nfs/dbraw/zinc/49/53/29/550495329.db2.gz BHFXHRHONFIFJM-ZDUSSCGKSA-N 2 2 360.414 2.487 20 10 FECDLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409078 550497645 /nfs/dbraw/zinc/49/76/45/550497645.db2.gz PFPLULIJALOLHU-MRXNPFEDSA-N 2 2 363.502 2.247 20 10 FECDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409078 550497646 /nfs/dbraw/zinc/49/76/46/550497646.db2.gz PFPLULIJALOLHU-MRXNPFEDSA-N 2 2 363.502 2.247 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285710003 551799230 /nfs/dbraw/zinc/79/92/30/551799230.db2.gz PMALQIPJMRPYPZ-HNSVSWJLSA-N 2 2 361.486 2.135 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285710003 551799232 /nfs/dbraw/zinc/79/92/32/551799232.db2.gz PMALQIPJMRPYPZ-HNSVSWJLSA-N 2 2 361.486 2.135 20 10 FECDLP COc1c(O)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)ccc1[N+](=O)[O-] ZINC000364761008 555395920 /nfs/dbraw/zinc/39/59/20/555395920.db2.gz STWFXBXKTUVFOP-UHFFFAOYSA-N 2 2 369.381 2.488 20 10 FECDLP CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000370613253 556921951 /nfs/dbraw/zinc/92/19/51/556921951.db2.gz YAYLZTSLXNTZFQ-AZUAARDMSA-N 2 2 360.546 2.200 20 10 FECDLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213807 674537336 /nfs/dbraw/zinc/53/73/36/674537336.db2.gz HXFGDNLDQCEYSV-CQSZACIVSA-N 2 2 359.392 2.226 20 10 FECDLP C[NH+](C)CCOCC[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708125168 673064249 /nfs/dbraw/zinc/06/42/49/673064249.db2.gz MEKFPBBUDOZRPJ-UHFFFAOYSA-N 2 2 351.672 2.476 20 10 FECDLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830543725 677046420 /nfs/dbraw/zinc/04/64/20/677046420.db2.gz CKGVDFARCBLEFT-OAHLLOKOSA-N 2 2 351.878 2.220 20 10 FECDLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830543725 677046422 /nfs/dbraw/zinc/04/64/22/677046422.db2.gz CKGVDFARCBLEFT-OAHLLOKOSA-N 2 2 351.878 2.220 20 10 FECDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000845973287 681167780 /nfs/dbraw/zinc/16/77/80/681167780.db2.gz YJQPTPQTKZOJNG-CQSZACIVSA-N 2 2 350.459 2.469 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591220 681400494 /nfs/dbraw/zinc/40/04/94/681400494.db2.gz SCIJPPUUJXUEKD-RHSMWYFYSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591220 681400500 /nfs/dbraw/zinc/40/05/00/681400500.db2.gz SCIJPPUUJXUEKD-RHSMWYFYSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591220 681400504 /nfs/dbraw/zinc/40/05/04/681400504.db2.gz SCIJPPUUJXUEKD-RHSMWYFYSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591220 681400507 /nfs/dbraw/zinc/40/05/07/681400507.db2.gz SCIJPPUUJXUEKD-RHSMWYFYSA-N 2 2 365.905 2.468 20 10 FECDLP Cc1cc(Br)c(O)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000848557868 681577462 /nfs/dbraw/zinc/57/74/62/681577462.db2.gz HXVJJNZXOLLJLW-UHFFFAOYSA-N 2 2 357.292 2.400 20 10 FECDLP C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882984412 687540647 /nfs/dbraw/zinc/54/06/47/687540647.db2.gz HEXNTRXHECDHRJ-NSHDSACASA-N 2 2 360.271 2.019 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000182961632 547580027 /nfs/dbraw/zinc/58/00/27/547580027.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 2 2 353.894 2.318 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000182961632 547580028 /nfs/dbraw/zinc/58/00/28/547580028.db2.gz DBDSSSOJEIEWLD-UHFFFAOYSA-N 2 2 353.894 2.318 20 10 FECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000275313855 550571583 /nfs/dbraw/zinc/57/15/83/550571583.db2.gz JSWZOOOMUTYDAW-TZMCWYRMSA-N 2 2 356.308 2.360 20 10 FECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000275313855 550571584 /nfs/dbraw/zinc/57/15/84/550571584.db2.gz JSWZOOOMUTYDAW-TZMCWYRMSA-N 2 2 356.308 2.360 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc1 ZINC000366511457 555863721 /nfs/dbraw/zinc/86/37/21/555863721.db2.gz HYPBJQUYLMNLMP-HNNXBMFYSA-N 2 2 363.527 2.218 20 10 FECDLP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261980 672121445 /nfs/dbraw/zinc/12/14/45/672121445.db2.gz UPZJDVIRVBNDEH-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261980 672121446 /nfs/dbraw/zinc/12/14/46/672121446.db2.gz UPZJDVIRVBNDEH-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226763 685099788 /nfs/dbraw/zinc/09/97/88/685099788.db2.gz ATBSAJOEXYBTIE-KBPBESRZSA-N 2 2 361.383 2.231 20 10 FECDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226763 685099797 /nfs/dbraw/zinc/09/97/97/685099797.db2.gz ATBSAJOEXYBTIE-KBPBESRZSA-N 2 2 361.383 2.231 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162784939 546141706 /nfs/dbraw/zinc/14/17/06/546141706.db2.gz XCRDRLLMLJBTBX-RBUKOAKNSA-N 3 2 360.546 2.280 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162784939 546141712 /nfs/dbraw/zinc/14/17/12/546141712.db2.gz XCRDRLLMLJBTBX-RBUKOAKNSA-N 3 2 360.546 2.280 20 10 FECDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)CC1 ZINC000176894561 546502399 /nfs/dbraw/zinc/50/23/99/546502399.db2.gz KJNZFBJBUPITAV-QGZVFWFLSA-N 2 2 365.905 2.460 20 10 FECDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)CC1 ZINC000176894561 546502407 /nfs/dbraw/zinc/50/24/07/546502407.db2.gz KJNZFBJBUPITAV-QGZVFWFLSA-N 2 2 365.905 2.460 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298448470 553426308 /nfs/dbraw/zinc/42/63/08/553426308.db2.gz NWXPIASBHHJZEC-UHFFFAOYSA-N 3 2 372.557 2.424 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890335 554893842 /nfs/dbraw/zinc/89/38/42/554893842.db2.gz XXOKMCOSGLIHBW-CGTJXYLNSA-N 2 2 363.477 2.176 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890335 554893843 /nfs/dbraw/zinc/89/38/43/554893843.db2.gz XXOKMCOSGLIHBW-CGTJXYLNSA-N 2 2 363.477 2.176 20 10 FECDLP COc1c(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000373203543 557649531 /nfs/dbraw/zinc/64/95/31/557649531.db2.gz GGGBYAJVZNNMQO-YOEHRIQHSA-N 2 2 372.425 2.487 20 10 FECDLP COc1c(O)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000373203543 557649533 /nfs/dbraw/zinc/64/95/33/557649533.db2.gz GGGBYAJVZNNMQO-YOEHRIQHSA-N 2 2 372.425 2.487 20 10 FECDLP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057553 680985106 /nfs/dbraw/zinc/98/51/06/680985106.db2.gz JYYILFANXVILJD-MLGOLLRUSA-N 2 2 369.868 2.265 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591219 681400412 /nfs/dbraw/zinc/40/04/12/681400412.db2.gz SCIJPPUUJXUEKD-PBHICJAKSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591219 681400415 /nfs/dbraw/zinc/40/04/15/681400415.db2.gz SCIJPPUUJXUEKD-PBHICJAKSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591219 681400417 /nfs/dbraw/zinc/40/04/17/681400417.db2.gz SCIJPPUUJXUEKD-PBHICJAKSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591219 681400423 /nfs/dbraw/zinc/40/04/23/681400423.db2.gz SCIJPPUUJXUEKD-PBHICJAKSA-N 2 2 365.905 2.468 20 10 FECDLP Oc1cccc(Br)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000862212388 683550904 /nfs/dbraw/zinc/55/09/04/683550904.db2.gz ICRKVNMPRKFSFX-UHFFFAOYSA-N 2 2 368.319 2.368 20 10 FECDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079294 542844863 /nfs/dbraw/zinc/84/48/63/542844863.db2.gz TVNCZZWNQPXTEZ-GOSISDBHSA-N 2 2 359.514 2.208 20 10 FECDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079294 542844867 /nfs/dbraw/zinc/84/48/67/542844867.db2.gz TVNCZZWNQPXTEZ-GOSISDBHSA-N 2 2 359.514 2.208 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000106165357 543210970 /nfs/dbraw/zinc/21/09/70/543210970.db2.gz NMUWZTLBSASUSW-UHFFFAOYSA-N 2 2 369.513 2.057 20 10 FECDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000133607436 544276732 /nfs/dbraw/zinc/27/67/32/544276732.db2.gz DYVALTBVEZWJEA-SFHVURJKSA-N 2 2 368.529 2.406 20 10 FECDLP CC[NH+]1CCN(c2ccc(CNc3[nH+]cnc4c3cnn4C)cc2F)CC1 ZINC000171677046 546218230 /nfs/dbraw/zinc/21/82/30/546218230.db2.gz CXIRGPWIAVIBPO-UHFFFAOYSA-N 2 2 369.448 2.256 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246881342 549233648 /nfs/dbraw/zinc/23/36/48/549233648.db2.gz BBWRLTIYLFTLSH-VQIMIIECSA-N 2 2 355.486 2.148 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246881342 549233652 /nfs/dbraw/zinc/23/36/52/549233652.db2.gz BBWRLTIYLFTLSH-VQIMIIECSA-N 2 2 355.486 2.148 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922677 550611281 /nfs/dbraw/zinc/61/12/81/550611281.db2.gz MTXFZTXEUCHGJY-DOMZBBRYSA-N 2 2 355.429 2.264 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922677 550611283 /nfs/dbraw/zinc/61/12/83/550611283.db2.gz MTXFZTXEUCHGJY-DOMZBBRYSA-N 2 2 355.429 2.264 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000368200547 556246711 /nfs/dbraw/zinc/24/67/11/556246711.db2.gz PPOKOQKZKSYNAK-CQSZACIVSA-N 2 2 363.477 2.334 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000368200547 556246713 /nfs/dbraw/zinc/24/67/13/556246713.db2.gz PPOKOQKZKSYNAK-CQSZACIVSA-N 2 2 363.477 2.334 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405411 556298360 /nfs/dbraw/zinc/29/83/60/556298360.db2.gz YPORTJJWGUCAFB-JLTOFOAXSA-N 2 2 374.485 2.316 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405411 556298363 /nfs/dbraw/zinc/29/83/63/556298363.db2.gz YPORTJJWGUCAFB-JLTOFOAXSA-N 2 2 374.485 2.316 20 10 FECDLP CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373454 556583236 /nfs/dbraw/zinc/58/32/36/556583236.db2.gz PFLKEGBEWNPLEE-GOSISDBHSA-N 2 2 374.529 2.482 20 10 FECDLP CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373454 556583238 /nfs/dbraw/zinc/58/32/38/556583238.db2.gz PFLKEGBEWNPLEE-GOSISDBHSA-N 2 2 374.529 2.482 20 10 FECDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000841098932 680863252 /nfs/dbraw/zinc/86/32/52/680863252.db2.gz AGZQODUQHOJOEA-ZDUSSCGKSA-N 2 2 366.263 2.042 20 10 FECDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000841098932 680863254 /nfs/dbraw/zinc/86/32/54/680863254.db2.gz AGZQODUQHOJOEA-ZDUSSCGKSA-N 2 2 366.263 2.042 20 10 FECDLP C[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000882979831 687539774 /nfs/dbraw/zinc/53/97/74/687539774.db2.gz OKGJUQRGAMIZLP-LBPRGKRZSA-N 2 2 374.298 2.267 20 10 FECDLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882988369 687541302 /nfs/dbraw/zinc/54/13/02/687541302.db2.gz MPGNXJCPYHBCFT-NSHDSACASA-N 2 2 360.271 2.019 20 10 FECDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000184980794 547911135 /nfs/dbraw/zinc/91/11/35/547911135.db2.gz MUSWTFDHMUPMRR-KRWDZBQOSA-N 2 2 355.486 2.354 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373108027 557630242 /nfs/dbraw/zinc/63/02/42/557630242.db2.gz ZDYCXIYGOUGLQS-GOSISDBHSA-N 2 2 369.513 2.324 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373108027 557630243 /nfs/dbraw/zinc/63/02/43/557630243.db2.gz ZDYCXIYGOUGLQS-GOSISDBHSA-N 2 2 369.513 2.324 20 10 FECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000809950947 674521394 /nfs/dbraw/zinc/52/13/94/674521394.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 2 2 357.292 2.432 20 10 FECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+](C)C1CC1 ZINC000809950947 674521397 /nfs/dbraw/zinc/52/13/97/674521397.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 2 2 357.292 2.432 20 10 FECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000809950947 674521398 /nfs/dbraw/zinc/52/13/98/674521398.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 2 2 357.292 2.432 20 10 FECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000809950947 674521400 /nfs/dbraw/zinc/52/14/00/674521400.db2.gz SKEXSSAJSPYQIB-OAHLLOKOSA-N 2 2 357.292 2.432 20 10 FECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000006734491 669961564 /nfs/dbraw/zinc/96/15/64/669961564.db2.gz ZESWFUZBLJOUPE-UHFFFAOYSA-N 2 2 351.878 2.032 20 10 FECDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985631 681096696 /nfs/dbraw/zinc/09/66/96/681096696.db2.gz RBCBRVYBMWMKPE-HNNXBMFYSA-N 2 2 366.893 2.013 20 10 FECDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985631 681096698 /nfs/dbraw/zinc/09/66/98/681096698.db2.gz RBCBRVYBMWMKPE-HNNXBMFYSA-N 2 2 366.893 2.013 20 10 FECDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369963 687616182 /nfs/dbraw/zinc/61/61/82/687616182.db2.gz DEWOEGCJJFLHKY-NVXWUHKLSA-N 2 2 367.921 2.493 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000182346695 547476129 /nfs/dbraw/zinc/47/61/29/547476129.db2.gz YYNRFSOYRMIIJY-CRAIPNDOSA-N 2 2 356.466 2.471 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000182346695 547476131 /nfs/dbraw/zinc/47/61/31/547476131.db2.gz YYNRFSOYRMIIJY-CRAIPNDOSA-N 2 2 356.466 2.471 20 10 FECDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000185207860 547952230 /nfs/dbraw/zinc/95/22/30/547952230.db2.gz SSTBOYJXIUFVSP-GOSISDBHSA-N 2 2 355.486 2.435 20 10 FECDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1O ZINC000367894502 556167153 /nfs/dbraw/zinc/16/71/53/556167153.db2.gz DKYIXYIFQRSVDK-CRAIPNDOSA-N 2 2 367.921 2.493 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000368200546 556247012 /nfs/dbraw/zinc/24/70/12/556247012.db2.gz PPOKOQKZKSYNAK-AWEZNQCLSA-N 2 2 363.477 2.334 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000368200546 556247014 /nfs/dbraw/zinc/24/70/14/556247014.db2.gz PPOKOQKZKSYNAK-AWEZNQCLSA-N 2 2 363.477 2.334 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000368335653 556280593 /nfs/dbraw/zinc/28/05/93/556280593.db2.gz ZLCBJGDOYCHFCA-OAHLLOKOSA-N 2 2 361.486 2.138 20 10 FECDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780687 557561132 /nfs/dbraw/zinc/56/11/32/557561132.db2.gz KZUSCJNNHLQPLY-TZIWHRDSSA-N 2 2 360.546 2.200 20 10 FECDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1Cl ZINC000825222577 675642557 /nfs/dbraw/zinc/64/25/57/675642557.db2.gz JVLJJUXTLSNBDX-UHFFFAOYSA-N 2 2 353.894 2.386 20 10 FECDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827549241 675764275 /nfs/dbraw/zinc/76/42/75/675764275.db2.gz FNTQTFQTZHOVIW-HNNXBMFYSA-N 2 2 355.276 2.498 20 10 FECDLP Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000840946300 680855678 /nfs/dbraw/zinc/85/56/78/680855678.db2.gz NRUVPPFKQAOSJA-UHFFFAOYSA-N 2 2 365.905 2.340 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479140 680949471 /nfs/dbraw/zinc/94/94/71/680949471.db2.gz XJEXQYYYQGTUBI-OAHLLOKOSA-N 2 2 363.849 2.136 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479140 680949472 /nfs/dbraw/zinc/94/94/72/680949472.db2.gz XJEXQYYYQGTUBI-OAHLLOKOSA-N 2 2 363.849 2.136 20 10 FECDLP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057552 680985059 /nfs/dbraw/zinc/98/50/59/680985059.db2.gz JYYILFANXVILJD-LRDDRELGSA-N 2 2 369.868 2.265 20 10 FECDLP CN(C)c1cc(F)c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000862366054 683578146 /nfs/dbraw/zinc/57/81/46/683578146.db2.gz BQOQINCVRFNCGW-UHFFFAOYSA-N 2 2 354.489 2.489 20 10 FECDLP CN(C)c1cc(F)c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000862366054 683578150 /nfs/dbraw/zinc/57/81/50/683578150.db2.gz BQOQINCVRFNCGW-UHFFFAOYSA-N 2 2 354.489 2.489 20 10 FECDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000179305116 546928979 /nfs/dbraw/zinc/92/89/79/546928979.db2.gz NAGWKONOUJGUMS-UHFFFAOYSA-N 2 2 374.529 2.096 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000182346676 547475951 /nfs/dbraw/zinc/47/59/51/547475951.db2.gz YYNRFSOYRMIIJY-MAUKXSAKSA-N 2 2 356.466 2.471 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000182346676 547475955 /nfs/dbraw/zinc/47/59/55/547475955.db2.gz YYNRFSOYRMIIJY-MAUKXSAKSA-N 2 2 356.466 2.471 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246503721 549148895 /nfs/dbraw/zinc/14/88/95/549148895.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246503721 549148899 /nfs/dbraw/zinc/14/88/99/549148899.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246503721 549148903 /nfs/dbraw/zinc/14/89/03/549148903.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246503721 549148906 /nfs/dbraw/zinc/14/89/06/549148906.db2.gz HVGDNNVRYWKKCO-GHTZIAJQSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294175146 552887956 /nfs/dbraw/zinc/88/79/56/552887956.db2.gz JIGCWTAGQIZIGL-HNNXBMFYSA-N 2 2 357.857 2.217 20 10 FECDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294175146 552887957 /nfs/dbraw/zinc/88/79/57/552887957.db2.gz JIGCWTAGQIZIGL-HNNXBMFYSA-N 2 2 357.857 2.217 20 10 FECDLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540267 557713994 /nfs/dbraw/zinc/71/39/94/557713994.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540267 557713996 /nfs/dbraw/zinc/71/39/96/557713996.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540267 557713998 /nfs/dbraw/zinc/71/39/98/557713998.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N 2 2 362.861 2.482 20 10 FECDLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC000109772840 543338500 /nfs/dbraw/zinc/33/85/00/543338500.db2.gz KEZBLHZSHUMHSZ-UHFFFAOYSA-N 2 2 369.465 2.295 20 10 FECDLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC000109772840 543338502 /nfs/dbraw/zinc/33/85/02/543338502.db2.gz KEZBLHZSHUMHSZ-UHFFFAOYSA-N 2 2 369.465 2.295 20 10 FECDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208567 546293587 /nfs/dbraw/zinc/29/35/87/546293587.db2.gz QGIRNPRJWLJEPH-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208567 546293591 /nfs/dbraw/zinc/29/35/91/546293591.db2.gz QGIRNPRJWLJEPH-LJQANCHMSA-N 2 2 360.546 2.375 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccnn3C)CC2)cc1 ZINC000192619192 548367002 /nfs/dbraw/zinc/36/70/02/548367002.db2.gz DGODRJXIYPWDRZ-QGZVFWFLSA-N 2 2 357.502 2.292 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246503726 549149135 /nfs/dbraw/zinc/14/91/35/549149135.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246503726 549149138 /nfs/dbraw/zinc/14/91/38/549149138.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246503726 549149142 /nfs/dbraw/zinc/14/91/42/549149142.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246503726 549149145 /nfs/dbraw/zinc/14/91/45/549149145.db2.gz HVGDNNVRYWKKCO-RXVVDRJESA-N 2 2 370.541 2.318 20 10 FECDLP O=S1(=O)CC[C@H]([NH2+]C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201871 558287402 /nfs/dbraw/zinc/28/74/02/558287402.db2.gz QCOOOAHUVOIODT-KRWDZBQOSA-N 2 2 374.506 2.287 20 10 FECDLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC000184981074 547911247 /nfs/dbraw/zinc/91/12/47/547911247.db2.gz UHWXVRSYPSCZMM-KRWDZBQOSA-N 2 2 355.486 2.354 20 10 FECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2F)CC1 ZINC000298560594 553440935 /nfs/dbraw/zinc/44/09/35/553440935.db2.gz VVIBAUOUZMPHLW-UHFFFAOYSA-N 2 2 368.460 2.300 20 10 FECDLP O=C(C[NH2+]Cc1c(O)ccc(Cl)c1F)NCC[NH+]1CCCCCC1 ZINC000816619991 675069129 /nfs/dbraw/zinc/06/91/29/675069129.db2.gz DLXHYBUXXRPLLW-UHFFFAOYSA-N 2 2 357.857 2.267 20 10 FECDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761672 675620638 /nfs/dbraw/zinc/62/06/38/675620638.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761672 675620639 /nfs/dbraw/zinc/62/06/39/675620639.db2.gz ILMCAJQSIAYTPF-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1O ZINC000111235674 543388529 /nfs/dbraw/zinc/38/85/29/543388529.db2.gz MDFLNQGUVGULSH-UHFFFAOYSA-N 2 2 359.495 2.230 20 10 FECDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1O ZINC000111235674 543388531 /nfs/dbraw/zinc/38/85/31/543388531.db2.gz MDFLNQGUVGULSH-UHFFFAOYSA-N 2 2 359.495 2.230 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369369126 556582146 /nfs/dbraw/zinc/58/21/46/556582146.db2.gz FIIVECZZMLODAY-SFHVURJKSA-N 2 2 373.545 2.063 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369369126 556582148 /nfs/dbraw/zinc/58/21/48/556582148.db2.gz FIIVECZZMLODAY-SFHVURJKSA-N 2 2 373.545 2.063 20 10 FECDLP COc1cc(Br)cc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000155496914 672234815 /nfs/dbraw/zinc/23/48/15/672234815.db2.gz MLTZJNFWDNKQAY-UHFFFAOYSA-N 2 2 373.291 2.052 20 10 FECDLP COc1cc(Br)cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000155496914 672234816 /nfs/dbraw/zinc/23/48/16/672234816.db2.gz MLTZJNFWDNKQAY-UHFFFAOYSA-N 2 2 373.291 2.052 20 10 FECDLP CCN(CC)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000858224403 682946484 /nfs/dbraw/zinc/94/64/84/682946484.db2.gz FIXWTDDKVQKXFB-SFHVURJKSA-N 2 2 350.482 2.101 20 10 FECDLP CCN(CC)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1F ZINC000858224403 682946485 /nfs/dbraw/zinc/94/64/85/682946485.db2.gz FIXWTDDKVQKXFB-SFHVURJKSA-N 2 2 350.482 2.101 20 10 FECDLP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000883027462 687549586 /nfs/dbraw/zinc/54/95/86/687549586.db2.gz BZKOILOECSTMFP-UHFFFAOYSA-N 2 2 374.298 2.409 20 10 FECDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369965 687616639 /nfs/dbraw/zinc/61/66/39/687616639.db2.gz DEWOEGCJJFLHKY-WBVHZDCISA-N 2 2 367.921 2.493 20 10 FECDLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800797 541629764 /nfs/dbraw/zinc/62/97/64/541629764.db2.gz WQXXNFPCLGENHH-HIFRSBDPSA-N 2 2 356.308 2.441 20 10 FECDLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800797 541629767 /nfs/dbraw/zinc/62/97/67/541629767.db2.gz WQXXNFPCLGENHH-HIFRSBDPSA-N 2 2 356.308 2.441 20 10 FECDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900151 /nfs/dbraw/zinc/90/01/51/543900151.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 2 360.546 2.373 20 10 FECDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900154 /nfs/dbraw/zinc/90/01/54/543900154.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 2 360.546 2.373 20 10 FECDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900157 /nfs/dbraw/zinc/90/01/57/543900157.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 2 360.546 2.373 20 10 FECDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900161 /nfs/dbraw/zinc/90/01/61/543900161.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 2 360.546 2.373 20 10 FECDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000175634553 546324990 /nfs/dbraw/zinc/32/49/90/546324990.db2.gz IUVSIJNXNILOSK-UHFFFAOYSA-N 2 2 373.545 2.112 20 10 FECDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cc(F)ccc1O ZINC000184981122 547910919 /nfs/dbraw/zinc/91/09/19/547910919.db2.gz KOWNPODNZOXLMW-OAHLLOKOSA-N 2 2 359.449 2.184 20 10 FECDLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246881327 549233628 /nfs/dbraw/zinc/23/36/28/549233628.db2.gz BBWRLTIYLFTLSH-QFBILLFUSA-N 2 2 355.486 2.148 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246881327 549233630 /nfs/dbraw/zinc/23/36/30/549233630.db2.gz BBWRLTIYLFTLSH-QFBILLFUSA-N 2 2 355.486 2.148 20 10 FECDLP CC[NH+]1CCC([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000263757131 549932068 /nfs/dbraw/zinc/93/20/68/549932068.db2.gz GMDSGOLWTFEPCE-UHFFFAOYSA-N 3 2 360.546 2.281 20 10 FECDLP CN(CCC[N@H+](C)Cc1cccc(Br)c1O)CC[NH+](C)C ZINC000809787996 674510003 /nfs/dbraw/zinc/51/00/03/674510003.db2.gz LFILZXWWXNGDQX-UHFFFAOYSA-N 2 2 358.324 2.470 20 10 FECDLP CN(CCC[N@@H+](C)Cc1cccc(Br)c1O)CC[NH+](C)C ZINC000809787996 674510005 /nfs/dbraw/zinc/51/00/05/674510005.db2.gz LFILZXWWXNGDQX-UHFFFAOYSA-N 2 2 358.324 2.470 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1Cl ZINC000825185303 675640468 /nfs/dbraw/zinc/64/04/68/675640468.db2.gz MESFXEBFRNCYPY-INIZCTEOSA-N 2 2 353.894 2.386 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417894 550497839 /nfs/dbraw/zinc/49/78/39/550497839.db2.gz REIFOMDQNDTQEV-YJBOKZPZSA-N 2 2 363.502 2.101 20 10 FECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)CC1 ZINC000293521514 552832194 /nfs/dbraw/zinc/83/21/94/552832194.db2.gz AZCHGNJANNTKKA-UHFFFAOYSA-N 2 2 369.868 2.171 20 10 FECDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000827891188 675785458 /nfs/dbraw/zinc/78/54/58/675785458.db2.gz COTDAPREBFPOTB-UHFFFAOYSA-N 2 2 351.248 2.210 20 10 FECDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071068 680861855 /nfs/dbraw/zinc/86/18/55/680861855.db2.gz VEUMAIUVVHJQCG-LBPRGKRZSA-N 2 2 355.763 2.110 20 10 FECDLP Cc1cc(O)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000895686936 689755060 /nfs/dbraw/zinc/75/50/60/689755060.db2.gz WOPGPPXVWACIES-KRWDZBQOSA-N 2 2 367.921 2.240 20 10 FECDLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800805 541629962 /nfs/dbraw/zinc/62/99/62/541629962.db2.gz WQXXNFPCLGENHH-DZGCQCFKSA-N 2 2 356.308 2.441 20 10 FECDLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800805 541629964 /nfs/dbraw/zinc/62/99/64/541629964.db2.gz WQXXNFPCLGENHH-DZGCQCFKSA-N 2 2 356.308 2.441 20 10 FECDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(N(C)C)cc1 ZINC000133607634 544276869 /nfs/dbraw/zinc/27/68/69/544276869.db2.gz DYVALTBVEZWJEA-GOSISDBHSA-N 2 2 368.529 2.406 20 10 FECDLP CCn1nccc1C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000159906853 545990821 /nfs/dbraw/zinc/99/08/21/545990821.db2.gz RQFSTPKTPJWZNP-UHFFFAOYSA-N 2 2 357.502 2.214 20 10 FECDLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)n1-c1ccccn1 ZINC000177120121 546548859 /nfs/dbraw/zinc/54/88/59/546548859.db2.gz FTRQBOODPUJXLX-UHFFFAOYSA-N 2 2 369.513 2.245 20 10 FECDLP COc1cc(O)c(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cc1OC ZINC000271809783 550403267 /nfs/dbraw/zinc/40/32/67/550403267.db2.gz LVPHCZNVDKOTGD-GFCCVEGCSA-N 2 2 351.472 2.018 20 10 FECDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958863 554857428 /nfs/dbraw/zinc/85/74/28/554857428.db2.gz LDRDJUIODSUBNX-GDBMZVCRSA-N 2 2 353.894 2.103 20 10 FECDLP CC1(C)C[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591207 681400566 /nfs/dbraw/zinc/40/05/66/681400566.db2.gz RSRSLFFPHQDIFU-INIZCTEOSA-N 2 2 365.905 2.468 20 10 FECDLP CC1(C)C[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591207 681400571 /nfs/dbraw/zinc/40/05/71/681400571.db2.gz RSRSLFFPHQDIFU-INIZCTEOSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371605 687616394 /nfs/dbraw/zinc/61/63/94/687616394.db2.gz QVGYYNAQUISUPU-DOTOQJQBSA-N 2 2 367.921 2.493 20 10 FECDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(O)c1OC ZINC000895231140 689681049 /nfs/dbraw/zinc/68/10/49/689681049.db2.gz WHOCHXPSGGQROW-MRXNPFEDSA-N 2 2 350.459 2.096 20 10 FECDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(O)c1OC ZINC000895231140 689681052 /nfs/dbraw/zinc/68/10/52/689681052.db2.gz WHOCHXPSGGQROW-MRXNPFEDSA-N 2 2 350.459 2.096 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922679 550611387 /nfs/dbraw/zinc/61/13/87/550611387.db2.gz MTXFZTXEUCHGJY-IUODEOHRSA-N 2 2 355.429 2.264 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922679 550611388 /nfs/dbraw/zinc/61/13/88/550611388.db2.gz MTXFZTXEUCHGJY-IUODEOHRSA-N 2 2 355.429 2.264 20 10 FECDLP COc1c(O)c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000278902407 550834309 /nfs/dbraw/zinc/83/43/09/550834309.db2.gz RHBWUYSJMUDAIA-UHFFFAOYSA-N 2 2 372.425 2.458 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000365767500 555663434 /nfs/dbraw/zinc/66/34/34/555663434.db2.gz RBZKIPKTANXWMZ-HXUWFJFHSA-N 2 2 368.481 2.259 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000365767500 555663437 /nfs/dbraw/zinc/66/34/37/555663437.db2.gz RBZKIPKTANXWMZ-HXUWFJFHSA-N 2 2 368.481 2.259 20 10 FECDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1O ZINC000367894531 556167126 /nfs/dbraw/zinc/16/71/26/556167126.db2.gz DKYIXYIFQRSVDK-YJBOKZPZSA-N 2 2 367.921 2.493 20 10 FECDLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108520 674405319 /nfs/dbraw/zinc/40/53/19/674405319.db2.gz XNOYDRMIBGURCY-HNNXBMFYSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108520 674405321 /nfs/dbraw/zinc/40/53/21/674405321.db2.gz XNOYDRMIBGURCY-HNNXBMFYSA-N 2 2 362.861 2.482 20 10 FECDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506529 681311861 /nfs/dbraw/zinc/31/18/61/681311861.db2.gz AKIIADXXDPLIIY-AEFFLSMTSA-N 2 2 367.921 2.493 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cnccn3)CC2)cc1 ZINC000162810012 546141328 /nfs/dbraw/zinc/14/13/28/546141328.db2.gz OFRWUBNPHOKJKR-QGZVFWFLSA-N 2 2 355.486 2.348 20 10 FECDLP Cc1cc(Br)cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000183377763 547647667 /nfs/dbraw/zinc/64/76/67/547647667.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 2 2 357.292 2.352 20 10 FECDLP Cc1cc(Br)cc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1O ZINC000183377763 547647671 /nfs/dbraw/zinc/64/76/71/547647671.db2.gz LPVHPAJWKIMCPP-UHFFFAOYSA-N 2 2 357.292 2.352 20 10 FECDLP CCOc1ccc(O)c(C[NH+]2CCC([NH+](CCOC)CCOC)CC2)c1 ZINC000289262598 552290921 /nfs/dbraw/zinc/29/09/21/552290921.db2.gz FSPCUWDVKYSYGM-UHFFFAOYSA-N 2 2 366.502 2.350 20 10 FECDLP CC[NH+]1CCN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)cc2F)CC1 ZINC000301747670 553676604 /nfs/dbraw/zinc/67/66/04/553676604.db2.gz ZKEKFZVOZKGOGL-UHFFFAOYSA-N 2 2 358.465 2.436 20 10 FECDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@@H+]2C)cn1 ZINC000363177511 555046223 /nfs/dbraw/zinc/04/62/23/555046223.db2.gz VHUMSXXZVXUVAX-DJJJIMSYSA-N 2 2 358.442 2.027 20 10 FECDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@H+]2C)cn1 ZINC000363177511 555046225 /nfs/dbraw/zinc/04/62/25/555046225.db2.gz VHUMSXXZVXUVAX-DJJJIMSYSA-N 2 2 358.442 2.027 20 10 FECDLP Cc1cc(Br)c(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000781899152 681986589 /nfs/dbraw/zinc/98/65/89/681986589.db2.gz HTSQKHBIECGMJL-UHFFFAOYSA-N 2 2 357.292 2.352 20 10 FECDLP Cc1cc(Br)c(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000781899152 681986597 /nfs/dbraw/zinc/98/65/97/681986597.db2.gz HTSQKHBIECGMJL-UHFFFAOYSA-N 2 2 357.292 2.352 20 10 FECDLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882886853 687523721 /nfs/dbraw/zinc/52/37/21/687523721.db2.gz PKWXRDVWFYHIMN-UHFFFAOYSA-N 2 2 374.298 2.409 20 10 FECDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000093132610 542909866 /nfs/dbraw/zinc/90/98/66/542909866.db2.gz QEIZXJLNJMATPS-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000093132610 542909869 /nfs/dbraw/zinc/90/98/69/542909869.db2.gz QEIZXJLNJMATPS-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c(O)c1 ZINC000184981056 547911204 /nfs/dbraw/zinc/91/12/04/547911204.db2.gz UHWXVRSYPSCZMM-QGZVFWFLSA-N 2 2 355.486 2.354 20 10 FECDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000375247994 557998229 /nfs/dbraw/zinc/99/82/29/557998229.db2.gz IMQBFAXVYPADMF-BDJLRTHQSA-N 2 2 352.797 2.028 20 10 FECDLP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817935477 675187201 /nfs/dbraw/zinc/18/72/01/675187201.db2.gz HHOZDQVTLQALIQ-LLVKDONJSA-N 2 2 360.271 2.240 20 10 FECDLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057569 680984967 /nfs/dbraw/zinc/98/49/67/680984967.db2.gz KIEYPAKRRHVFDE-CZUORRHYSA-N 2 2 351.878 2.126 20 10 FECDLP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057569 680984970 /nfs/dbraw/zinc/98/49/70/680984970.db2.gz KIEYPAKRRHVFDE-CZUORRHYSA-N 2 2 351.878 2.126 20 10 FECDLP CN(C)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843124738 680989100 /nfs/dbraw/zinc/98/91/00/680989100.db2.gz MFEWPSOVMSZHRV-INIZCTEOSA-N 2 2 356.436 2.251 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843377164 681000592 /nfs/dbraw/zinc/00/05/92/681000592.db2.gz QANVTEKGERYFLV-HNNXBMFYSA-N 2 2 367.877 2.068 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843377164 681000593 /nfs/dbraw/zinc/00/05/93/681000593.db2.gz QANVTEKGERYFLV-HNNXBMFYSA-N 2 2 367.877 2.068 20 10 FECDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958864 210201256 /nfs/dbraw/zinc/20/12/56/210201256.db2.gz LDRDJUIODSUBNX-GOEBONIOSA-N 2 2 353.894 2.103 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771144 544469500 /nfs/dbraw/zinc/46/95/00/544469500.db2.gz UYCLJRCJZXLPSD-IBGZPJMESA-N 2 2 358.530 2.129 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771144 544469503 /nfs/dbraw/zinc/46/95/03/544469503.db2.gz UYCLJRCJZXLPSD-IBGZPJMESA-N 2 2 358.530 2.129 20 10 FECDLP CC(=O)c1cc(F)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000177277168 546585050 /nfs/dbraw/zinc/58/50/50/546585050.db2.gz YEQQTBDTTBIEJL-UHFFFAOYSA-N 2 2 350.434 2.278 20 10 FECDLP COc1c(O)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)ccc1[N+](=O)[O-] ZINC000365798035 555669800 /nfs/dbraw/zinc/66/98/00/555669800.db2.gz SUUGVLSFFJFAHD-UHFFFAOYSA-N 2 2 355.354 2.180 20 10 FECDLP Cc1c2ccccc2n(C)c1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000475199067 561092798 /nfs/dbraw/zinc/09/27/98/561092798.db2.gz ZYCJZAIXVWQZCN-UHFFFAOYSA-N 2 2 370.541 2.373 20 10 FECDLP Cc1c2ccccc2n(C)c1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000475199067 561092799 /nfs/dbraw/zinc/09/27/99/561092799.db2.gz ZYCJZAIXVWQZCN-UHFFFAOYSA-N 2 2 370.541 2.373 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623170 550505989 /nfs/dbraw/zinc/50/59/89/550505989.db2.gz ZSTPJJILSCSZLC-FZMZJTMJSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623170 550505990 /nfs/dbraw/zinc/50/59/90/550505990.db2.gz ZSTPJJILSCSZLC-FZMZJTMJSA-N 2 2 370.291 2.145 20 10 FECDLP O=S1(=O)CC[C@@H]([NH2+]C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C1 ZINC000377201872 558287375 /nfs/dbraw/zinc/28/73/75/558287375.db2.gz QCOOOAHUVOIODT-QGZVFWFLSA-N 2 2 374.506 2.287 20 10 FECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042789 680860689 /nfs/dbraw/zinc/86/06/89/680860689.db2.gz ONEXMVMTXWOTAE-INIZCTEOSA-N 2 2 356.495 2.456 20 10 FECDLP C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000882979830 687539914 /nfs/dbraw/zinc/53/99/14/687539914.db2.gz OKGJUQRGAMIZLP-GFCCVEGCSA-N 2 2 374.298 2.267 20 10 FECDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958534 210201046 /nfs/dbraw/zinc/20/10/46/210201046.db2.gz KGTFPYFJGZQRQS-FXAWDEMLSA-N 2 2 373.541 2.328 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812366 546140970 /nfs/dbraw/zinc/14/09/70/546140970.db2.gz RDJAYBVFFUHPPW-QGZVFWFLSA-N 2 2 357.502 2.292 20 10 FECDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)CC1 ZINC000176894574 546502874 /nfs/dbraw/zinc/50/28/74/546502874.db2.gz KJNZFBJBUPITAV-KRWDZBQOSA-N 2 2 365.905 2.460 20 10 FECDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)C2)CC1 ZINC000176894574 546502875 /nfs/dbraw/zinc/50/28/75/546502875.db2.gz KJNZFBJBUPITAV-KRWDZBQOSA-N 2 2 365.905 2.460 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273456522 550499071 /nfs/dbraw/zinc/49/90/71/550499071.db2.gz HCENDUCCQMLMSZ-BOFPYLFWSA-N 2 2 362.470 2.207 20 10 FECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000809950946 674521413 /nfs/dbraw/zinc/52/14/13/674521413.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 2 2 357.292 2.432 20 10 FECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000809950946 674521415 /nfs/dbraw/zinc/52/14/15/674521415.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 2 2 357.292 2.432 20 10 FECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000809950946 674521417 /nfs/dbraw/zinc/52/14/17/674521417.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 2 2 357.292 2.432 20 10 FECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000809950946 674521419 /nfs/dbraw/zinc/52/14/19/674521419.db2.gz SKEXSSAJSPYQIB-HNNXBMFYSA-N 2 2 357.292 2.432 20 10 FECDLP Oc1ccc(Br)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119507141 543668564 /nfs/dbraw/zinc/66/85/64/543668564.db2.gz ZTKJWOKBCHRWOV-UHFFFAOYSA-N 2 2 368.319 2.368 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300940 557137199 /nfs/dbraw/zinc/13/71/99/557137199.db2.gz RLMJMMRYYLGHBM-BPQIPLTHSA-N 2 2 350.434 2.417 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300940 557137200 /nfs/dbraw/zinc/13/72/00/557137200.db2.gz RLMJMMRYYLGHBM-BPQIPLTHSA-N 2 2 350.434 2.417 20 10 FECDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000808694917 674468937 /nfs/dbraw/zinc/46/89/37/674468937.db2.gz CHJNURWWWOANFT-DOTOQJQBSA-N 2 2 367.921 2.411 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888888 680849386 /nfs/dbraw/zinc/84/93/86/680849386.db2.gz DMODURALJZFUJJ-MRXNPFEDSA-N 2 2 353.894 2.386 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(Cl)c1 ZINC000840888888 680849388 /nfs/dbraw/zinc/84/93/88/680849388.db2.gz DMODURALJZFUJJ-MRXNPFEDSA-N 2 2 353.894 2.386 20 10 FECDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765427 680910866 /nfs/dbraw/zinc/91/08/66/680910866.db2.gz YBPQISLOMXNDNM-GOEBONIOSA-N 2 2 353.894 2.103 20 10 FECDLP Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1O ZINC000843119038 680988814 /nfs/dbraw/zinc/98/88/14/680988814.db2.gz UKYYSIUOHBNDSR-UHFFFAOYSA-N 2 2 361.877 2.428 20 10 FECDLP COc1cc(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1O ZINC000778187653 681584164 /nfs/dbraw/zinc/58/41/64/681584164.db2.gz BYYREHMLSMZNRH-LBPRGKRZSA-N 2 2 352.232 2.464 20 10 FECDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406612 681898408 /nfs/dbraw/zinc/89/84/08/681898408.db2.gz NHPVZIMTZSVGIY-UHFFFAOYSA-N 2 2 360.527 2.456 20 10 FECDLP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000853248044 682398422 /nfs/dbraw/zinc/39/84/22/682398422.db2.gz KLIDVIVDJYLUEE-UHFFFAOYSA-N 2 2 357.857 2.265 20 10 FECDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958537 210201515 /nfs/dbraw/zinc/20/15/15/210201515.db2.gz KGTFPYFJGZQRQS-YLJYHZDGSA-N 2 2 373.541 2.328 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cnccn3)CC2)cc1 ZINC000162809898 546141836 /nfs/dbraw/zinc/14/18/36/546141836.db2.gz OFRWUBNPHOKJKR-KRWDZBQOSA-N 2 2 355.486 2.348 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601331 /nfs/dbraw/zinc/60/13/31/555601331.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601334 /nfs/dbraw/zinc/60/13/34/555601334.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601338 /nfs/dbraw/zinc/60/13/38/555601338.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365533970 555601340 /nfs/dbraw/zinc/60/13/40/555601340.db2.gz DIXYUGKGPOHGGC-GIVPXCGWSA-N 2 2 370.541 2.127 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000368335652 556280965 /nfs/dbraw/zinc/28/09/65/556280965.db2.gz ZLCBJGDOYCHFCA-HNNXBMFYSA-N 2 2 361.486 2.138 20 10 FECDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000370613255 556921927 /nfs/dbraw/zinc/92/19/27/556921927.db2.gz YAYLZTSLXNTZFQ-QUCCMNQESA-N 2 2 360.546 2.200 20 10 FECDLP COc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000375202377 557991121 /nfs/dbraw/zinc/99/11/21/557991121.db2.gz QIPNCYXENDBEMS-MRXNPFEDSA-N 2 2 353.894 2.266 20 10 FECDLP COc1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000375202377 557991123 /nfs/dbraw/zinc/99/11/23/557991123.db2.gz QIPNCYXENDBEMS-MRXNPFEDSA-N 2 2 353.894 2.266 20 10 FECDLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108070 674405296 /nfs/dbraw/zinc/40/52/96/674405296.db2.gz QUIMGIAVVFFWIZ-OAHLLOKOSA-N 2 2 362.861 2.102 20 10 FECDLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108070 674405297 /nfs/dbraw/zinc/40/52/97/674405297.db2.gz QUIMGIAVVFFWIZ-OAHLLOKOSA-N 2 2 362.861 2.102 20 10 FECDLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000048795393 670273489 /nfs/dbraw/zinc/27/34/89/670273489.db2.gz HYTAKZWIBZTPNP-UHFFFAOYSA-N 2 2 356.308 2.270 20 10 FECDLP CN(C)c1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c(C(F)(F)F)c1 ZINC000863647871 683756718 /nfs/dbraw/zinc/75/67/18/683756718.db2.gz FRYXMRFQHISXKD-UHFFFAOYSA-N 2 2 355.364 2.016 20 10 FECDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226766 685099763 /nfs/dbraw/zinc/09/97/63/685099763.db2.gz ATBSAJOEXYBTIE-ZIAGYGMSSA-N 2 2 361.383 2.231 20 10 FECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226766 685099769 /nfs/dbraw/zinc/09/97/69/685099769.db2.gz ATBSAJOEXYBTIE-ZIAGYGMSSA-N 2 2 361.383 2.231 20 10 FECDLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)CC1 ZINC000877746933 686448670 /nfs/dbraw/zinc/44/86/70/686448670.db2.gz NXCQQQCVVVVQKB-UHFFFAOYSA-N 2 2 368.319 2.367 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719196 541857048 /nfs/dbraw/zinc/85/70/48/541857048.db2.gz BTAAOYRQVGDIGT-IBGZPJMESA-N 2 2 358.530 2.177 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719196 541857051 /nfs/dbraw/zinc/85/70/51/541857051.db2.gz BTAAOYRQVGDIGT-IBGZPJMESA-N 2 2 358.530 2.177 20 10 FECDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000093132611 542909787 /nfs/dbraw/zinc/90/97/87/542909787.db2.gz QEIZXJLNJMATPS-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)CC1 ZINC000093132611 542909796 /nfs/dbraw/zinc/90/97/96/542909796.db2.gz QEIZXJLNJMATPS-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP Oc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000113320032 543484016 /nfs/dbraw/zinc/48/40/16/543484016.db2.gz RJLOURQGSTYOCG-UHFFFAOYSA-N 2 2 361.877 2.138 20 10 FECDLP COc1cc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000183706610 547704749 /nfs/dbraw/zinc/70/47/49/547704749.db2.gz XHBUDFMOWHXLJI-MRXNPFEDSA-N 2 2 363.502 2.319 20 10 FECDLP COc1cc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc(OC)c1OC ZINC000183706610 547704752 /nfs/dbraw/zinc/70/47/52/547704752.db2.gz XHBUDFMOWHXLJI-MRXNPFEDSA-N 2 2 363.502 2.319 20 10 FECDLP COc1ccc(O)c([C@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000184980874 547911324 /nfs/dbraw/zinc/91/13/24/547911324.db2.gz FRNAQHGUMJQJOO-INIZCTEOSA-N 2 2 371.485 2.054 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000192619230 548368059 /nfs/dbraw/zinc/36/80/59/548368059.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 3 2 372.557 2.422 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000192619230 548368060 /nfs/dbraw/zinc/36/80/60/548368060.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 3 2 372.557 2.422 20 10 FECDLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273304117 550493796 /nfs/dbraw/zinc/49/37/96/550493796.db2.gz CJEXGSIBTLFYPK-AWEZNQCLSA-N 2 2 371.441 2.298 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000367623750 556099860 /nfs/dbraw/zinc/09/98/60/556099860.db2.gz QOIHFGPUKJMBFK-MRXNPFEDSA-N 2 2 363.477 2.193 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000367623750 556099863 /nfs/dbraw/zinc/09/98/63/556099863.db2.gz QOIHFGPUKJMBFK-MRXNPFEDSA-N 2 2 363.477 2.193 20 10 FECDLP Cc1cc(O)c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(Cl)c1 ZINC000840897470 680850913 /nfs/dbraw/zinc/85/09/13/680850913.db2.gz RMSKUBCLWRHGDQ-UHFFFAOYSA-N 2 2 353.894 2.386 20 10 FECDLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000854230639 682526960 /nfs/dbraw/zinc/52/69/60/682526960.db2.gz ATWZPMMMGBICFS-LBPRGKRZSA-N 2 2 355.429 2.312 20 10 FECDLP CCO[C@@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000922756845 683778164 /nfs/dbraw/zinc/77/81/64/683778164.db2.gz PKNVBICLFDMAQD-ZDUSSCGKSA-N 2 2 361.280 2.220 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134934402 544328008 /nfs/dbraw/zinc/32/80/08/544328008.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134934402 544328010 /nfs/dbraw/zinc/32/80/10/544328010.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134934402 544328013 /nfs/dbraw/zinc/32/80/13/544328013.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134934402 544328016 /nfs/dbraw/zinc/32/80/16/544328016.db2.gz HVGDNNVRYWKKCO-NQIIRXRSSA-N 2 2 370.541 2.318 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246681003 549187549 /nfs/dbraw/zinc/18/75/49/549187549.db2.gz VVHHGEYCBKSPJS-YLJYHZDGSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246681003 549187552 /nfs/dbraw/zinc/18/75/52/549187552.db2.gz VVHHGEYCBKSPJS-YLJYHZDGSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273348294 550495147 /nfs/dbraw/zinc/49/51/47/550495147.db2.gz BHFXHRHONFIFJM-CYBMUJFWSA-N 2 2 360.414 2.487 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367774 550495951 /nfs/dbraw/zinc/49/59/51/550495951.db2.gz BWJJOWZITNMJBJ-FZMZJTMJSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367774 550495952 /nfs/dbraw/zinc/49/59/52/550495952.db2.gz BWJJOWZITNMJBJ-FZMZJTMJSA-N 2 2 370.291 2.145 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417892 550497992 /nfs/dbraw/zinc/49/79/92/550497992.db2.gz REIFOMDQNDTQEV-QAPCUYQASA-N 2 2 363.502 2.101 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456525 550499177 /nfs/dbraw/zinc/49/91/77/550499177.db2.gz HCENDUCCQMLMSZ-IRWQIABSSA-N 2 2 362.470 2.207 20 10 FECDLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@@H+]2C)cn1 ZINC000363177513 555046642 /nfs/dbraw/zinc/04/66/42/555046642.db2.gz VHUMSXXZVXUVAX-YJYMSZOUSA-N 2 2 358.442 2.027 20 10 FECDLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@H+]2C)cn1 ZINC000363177513 555046645 /nfs/dbraw/zinc/04/66/45/555046645.db2.gz VHUMSXXZVXUVAX-YJYMSZOUSA-N 2 2 358.442 2.027 20 10 FECDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071067 680861829 /nfs/dbraw/zinc/86/18/29/680861829.db2.gz VEUMAIUVVHJQCG-GFCCVEGCSA-N 2 2 355.763 2.110 20 10 FECDLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057568 680985015 /nfs/dbraw/zinc/98/50/15/680985015.db2.gz KIEYPAKRRHVFDE-CJNGLKHVSA-N 2 2 351.878 2.126 20 10 FECDLP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057568 680985016 /nfs/dbraw/zinc/98/50/16/680985016.db2.gz KIEYPAKRRHVFDE-CJNGLKHVSA-N 2 2 351.878 2.126 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843377165 681000582 /nfs/dbraw/zinc/00/05/82/681000582.db2.gz QANVTEKGERYFLV-OAHLLOKOSA-N 2 2 367.877 2.068 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843377165 681000584 /nfs/dbraw/zinc/00/05/84/681000584.db2.gz QANVTEKGERYFLV-OAHLLOKOSA-N 2 2 367.877 2.068 20 10 FECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3n[nH]cc3Br)cc2)CC1 ZINC000771843070 681072039 /nfs/dbraw/zinc/07/20/39/681072039.db2.gz QAMSRZZHOPRTLH-UHFFFAOYSA-N 2 2 364.291 2.214 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623166 550505978 /nfs/dbraw/zinc/50/59/78/550505978.db2.gz ZSTPJJILSCSZLC-BXUZGUMPSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623166 550505979 /nfs/dbraw/zinc/50/59/79/550505979.db2.gz ZSTPJJILSCSZLC-BXUZGUMPSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502037 557892030 /nfs/dbraw/zinc/89/20/30/557892030.db2.gz IGOZPSNINZDUFR-DZFGPLHGSA-N 2 2 359.514 2.427 20 10 FECDLP Oc1c(F)cc(Br)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000882894663 687524997 /nfs/dbraw/zinc/52/49/97/687524997.db2.gz VGVHHCOHWZQTGH-UHFFFAOYSA-N 2 2 361.255 2.496 20 10 FECDLP CN(Cc1ccccc1O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080493427 542592033 /nfs/dbraw/zinc/59/20/33/542592033.db2.gz LDNZYDFVHBDAPC-UHFFFAOYSA-N 2 2 374.529 2.484 20 10 FECDLP C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313640 548322778 /nfs/dbraw/zinc/32/27/78/548322778.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 2 370.449 2.190 20 10 FECDLP C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313640 548322782 /nfs/dbraw/zinc/32/27/82/548322782.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 2 370.449 2.190 20 10 FECDLP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313640 548322786 /nfs/dbraw/zinc/32/27/86/548322786.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 2 370.449 2.190 20 10 FECDLP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313640 548322789 /nfs/dbraw/zinc/32/27/89/548322789.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 2 370.449 2.190 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278414259 550783399 /nfs/dbraw/zinc/78/33/99/550783399.db2.gz FQOBJZPKFFGUMF-HUUCEWRRSA-N 2 2 350.459 2.330 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278414259 550783401 /nfs/dbraw/zinc/78/34/01/550783401.db2.gz FQOBJZPKFFGUMF-HUUCEWRRSA-N 2 2 350.459 2.330 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000364231775 555274911 /nfs/dbraw/zinc/27/49/11/555274911.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 2 2 365.905 2.460 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000364231775 555274913 /nfs/dbraw/zinc/27/49/13/555274913.db2.gz QPZQYPQSCSQJPZ-QGZVFWFLSA-N 2 2 365.905 2.460 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405414 556298446 /nfs/dbraw/zinc/29/84/46/556298446.db2.gz YPORTJJWGUCAFB-XOBRGWDASA-N 2 2 374.485 2.316 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405414 556298448 /nfs/dbraw/zinc/29/84/48/556298448.db2.gz YPORTJJWGUCAFB-XOBRGWDASA-N 2 2 374.485 2.316 20 10 FECDLP CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000370613254 556921795 /nfs/dbraw/zinc/92/17/95/556921795.db2.gz YAYLZTSLXNTZFQ-ICSRJNTNSA-N 2 2 360.546 2.200 20 10 FECDLP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817934811 675187017 /nfs/dbraw/zinc/18/70/17/675187017.db2.gz CZBRMMARYCYVRU-LLVKDONJSA-N 2 2 360.271 2.240 20 10 FECDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(O)cccc1Br ZINC000858195667 682943806 /nfs/dbraw/zinc/94/38/06/682943806.db2.gz ADCWNJULOMGFBV-UHFFFAOYSA-N 2 2 356.308 2.224 20 10 FECDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(O)cccc1Br ZINC000858195667 682943810 /nfs/dbraw/zinc/94/38/10/682943810.db2.gz ADCWNJULOMGFBV-UHFFFAOYSA-N 2 2 356.308 2.224 20 10 FECDLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093394586 542930470 /nfs/dbraw/zinc/93/04/70/542930470.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 2 2 357.292 2.433 20 10 FECDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000093394586 542930472 /nfs/dbraw/zinc/93/04/72/542930472.db2.gz VNSKSKSKBUNMTL-UHFFFAOYSA-N 2 2 357.292 2.433 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601499 /nfs/dbraw/zinc/60/14/99/555601499.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601501 /nfs/dbraw/zinc/60/15/01/555601501.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601503 /nfs/dbraw/zinc/60/15/03/555601503.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365533973 555601505 /nfs/dbraw/zinc/60/15/05/555601505.db2.gz DIXYUGKGPOHGGC-NRSPTQNISA-N 2 2 370.541 2.127 20 10 FECDLP C[C@@H](C[NH2+]Cc1ccc(Br)cc1O)CN1CC[NH+](C)CC1 ZINC000825247743 675643386 /nfs/dbraw/zinc/64/33/86/675643386.db2.gz WLWLQPLDBODAEZ-ZDUSSCGKSA-N 2 2 356.308 2.128 20 10 FECDLP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2O)CC1(C)C ZINC000883112098 687568273 /nfs/dbraw/zinc/56/82/73/687568273.db2.gz ZUCNYRPKLNFQSJ-UHFFFAOYSA-N 2 2 374.298 2.409 20 10 FECDLP CCOc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000237074625 548798180 /nfs/dbraw/zinc/79/81/80/548798180.db2.gz YIYIXFPDJDLHJK-LJQANCHMSA-N 2 2 356.466 2.300 20 10 FECDLP CCOc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000237074625 548798184 /nfs/dbraw/zinc/79/81/84/548798184.db2.gz YIYIXFPDJDLHJK-LJQANCHMSA-N 2 2 356.466 2.300 20 10 FECDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(OC)c(OC)cc3O)CC2)c1 ZINC000271077694 550338539 /nfs/dbraw/zinc/33/85/39/550338539.db2.gz HRDDOTSXIPHQKY-UHFFFAOYSA-N 2 2 359.426 2.135 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417890 550497947 /nfs/dbraw/zinc/49/79/47/550497947.db2.gz REIFOMDQNDTQEV-MAUKXSAKSA-N 2 2 363.502 2.101 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000273595143 550504685 /nfs/dbraw/zinc/50/46/85/550504685.db2.gz QJCNTTLUMFTZNO-OAHLLOKOSA-N 2 2 363.502 2.103 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000273595143 550504687 /nfs/dbraw/zinc/50/46/87/550504687.db2.gz QJCNTTLUMFTZNO-OAHLLOKOSA-N 2 2 363.502 2.103 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cn(C(C)C)nn3)CC2)cc1 ZINC000289881307 552393872 /nfs/dbraw/zinc/39/38/72/552393872.db2.gz XDXHDGQIAIZUPT-UHFFFAOYSA-N 2 2 372.517 2.170 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000364231774 555274962 /nfs/dbraw/zinc/27/49/62/555274962.db2.gz QPZQYPQSCSQJPZ-KRWDZBQOSA-N 2 2 365.905 2.460 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000364231774 555274964 /nfs/dbraw/zinc/27/49/64/555274964.db2.gz QPZQYPQSCSQJPZ-KRWDZBQOSA-N 2 2 365.905 2.460 20 10 FECDLP C[C@@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000370654471 556932320 /nfs/dbraw/zinc/93/23/20/556932320.db2.gz YZSAWWHKRRYYTL-QGZVFWFLSA-N 2 2 358.530 2.490 20 10 FECDLP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756603655 680488517 /nfs/dbraw/zinc/48/85/17/680488517.db2.gz JKWHYTYFHWGLSD-JTQLQIEISA-N 2 2 361.255 2.401 20 10 FECDLP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057551 680985149 /nfs/dbraw/zinc/98/51/49/680985149.db2.gz JYYILFANXVILJD-BLLLJJGKSA-N 2 2 369.868 2.265 20 10 FECDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1O ZINC000848524850 681571146 /nfs/dbraw/zinc/57/11/46/681571146.db2.gz XWMXCMJKXQDCES-AAEUAGOBSA-N 2 2 373.291 2.271 20 10 FECDLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000925810664 683040098 /nfs/dbraw/zinc/04/00/98/683040098.db2.gz FHRITBPIPFMYME-JTQLQIEISA-N 2 2 360.271 2.368 20 10 FECDLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882890255 687523451 /nfs/dbraw/zinc/52/34/51/687523451.db2.gz SQQQOWKLPDXZSU-LBPRGKRZSA-N 2 2 374.298 2.409 20 10 FECDLP C[N@H+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313659 548322987 /nfs/dbraw/zinc/32/29/87/548322987.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 2 370.449 2.190 20 10 FECDLP C[N@@H+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313659 548322993 /nfs/dbraw/zinc/32/29/93/548322993.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 2 370.449 2.190 20 10 FECDLP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313659 548322998 /nfs/dbraw/zinc/32/29/98/548322998.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 2 370.449 2.190 20 10 FECDLP C[NH+](Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313659 548323003 /nfs/dbraw/zinc/32/30/03/548323003.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 2 370.449 2.190 20 10 FECDLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409075 550497677 /nfs/dbraw/zinc/49/76/77/550497677.db2.gz PFPLULIJALOLHU-INIZCTEOSA-N 2 2 363.502 2.247 20 10 FECDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273409075 550497678 /nfs/dbraw/zinc/49/76/78/550497678.db2.gz PFPLULIJALOLHU-INIZCTEOSA-N 2 2 363.502 2.247 20 10 FECDLP COc1c(O)c(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000364617606 555353873 /nfs/dbraw/zinc/35/38/73/555353873.db2.gz LQMIVIXNVPHASB-UHFFFAOYSA-N 2 2 355.354 2.180 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300942 557136941 /nfs/dbraw/zinc/13/69/41/557136941.db2.gz RLMJMMRYYLGHBM-KBAYOESNSA-N 2 2 350.434 2.417 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300942 557136944 /nfs/dbraw/zinc/13/69/44/557136944.db2.gz RLMJMMRYYLGHBM-KBAYOESNSA-N 2 2 350.434 2.417 20 10 FECDLP CCn1cc[nH+]c1CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376678798 558206789 /nfs/dbraw/zinc/20/67/89/558206789.db2.gz HTFKIBDHQLRQQN-GOSISDBHSA-N 2 2 367.497 2.199 20 10 FECDLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108069 674405097 /nfs/dbraw/zinc/40/50/97/674405097.db2.gz QUIMGIAVVFFWIZ-HNNXBMFYSA-N 2 2 362.861 2.102 20 10 FECDLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108069 674405098 /nfs/dbraw/zinc/40/50/98/674405098.db2.gz QUIMGIAVVFFWIZ-HNNXBMFYSA-N 2 2 362.861 2.102 20 10 FECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982246 675188975 /nfs/dbraw/zinc/18/89/75/675188975.db2.gz PTAGCWCXRXCFBM-ZBFHGGJFSA-N 2 2 353.894 2.206 20 10 FECDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000796265804 683147282 /nfs/dbraw/zinc/14/72/82/683147282.db2.gz MBGCHGBXAUZIGS-UHFFFAOYSA-N 2 2 364.490 2.470 20 10 FECDLP C[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371606 687616058 /nfs/dbraw/zinc/61/60/58/687616058.db2.gz QVGYYNAQUISUPU-NVXWUHKLSA-N 2 2 367.921 2.493 20 10 FECDLP CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760016 540443079 /nfs/dbraw/zinc/44/30/79/540443079.db2.gz YQNWTWSEZHIGIU-UHFFFAOYSA-N 2 2 360.502 2.092 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(CO)o3)CC2)cc1 ZINC000174248919 546294008 /nfs/dbraw/zinc/29/40/08/546294008.db2.gz BCLDBRNWIXAWGP-UHFFFAOYSA-N 2 2 359.470 2.082 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1O ZINC000182894694 547567930 /nfs/dbraw/zinc/56/79/30/547567930.db2.gz PGMNWRRVHLAALR-GOSISDBHSA-N 2 2 363.477 2.336 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1O ZINC000182894694 547567934 /nfs/dbraw/zinc/56/79/34/547567934.db2.gz PGMNWRRVHLAALR-GOSISDBHSA-N 2 2 363.477 2.336 20 10 FECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1O ZINC000275313842 550571588 /nfs/dbraw/zinc/57/15/88/550571588.db2.gz JSWZOOOMUTYDAW-OCCSQVGLSA-N 2 2 356.308 2.360 20 10 FECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1O ZINC000275313842 550571589 /nfs/dbraw/zinc/57/15/89/550571589.db2.gz JSWZOOOMUTYDAW-OCCSQVGLSA-N 2 2 356.308 2.360 20 10 FECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000289143774 552272680 /nfs/dbraw/zinc/27/26/80/552272680.db2.gz AMYGHADGNZQXJL-UHFFFAOYSA-N 2 2 351.878 2.032 20 10 FECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnc(OC)n3)cc2F)CC1 ZINC000294935683 552945446 /nfs/dbraw/zinc/94/54/46/552945446.db2.gz DMMKGLFSSYENGG-UHFFFAOYSA-N 2 2 359.449 2.056 20 10 FECDLP C[N@@H+]1CCCN(CCC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000729683803 673243809 /nfs/dbraw/zinc/24/38/09/673243809.db2.gz BLIKACMPYBXPEA-UHFFFAOYSA-N 2 2 356.308 2.272 20 10 FECDLP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000729683803 673243812 /nfs/dbraw/zinc/24/38/12/673243812.db2.gz BLIKACMPYBXPEA-UHFFFAOYSA-N 2 2 356.308 2.272 20 10 FECDLP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)cc(F)c1O ZINC000756603656 680488555 /nfs/dbraw/zinc/48/85/55/680488555.db2.gz JKWHYTYFHWGLSD-SNVBAGLBSA-N 2 2 361.255 2.401 20 10 FECDLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882890254 687523373 /nfs/dbraw/zinc/52/33/73/687523373.db2.gz SQQQOWKLPDXZSU-GFCCVEGCSA-N 2 2 374.298 2.409 20 10 FECDLP COc1ccc(N2CC[NH+](CCNC(=O)Nc3cc[nH+]cc3C)CC2)cc1 ZINC000271168996 550347747 /nfs/dbraw/zinc/34/77/47/550347747.db2.gz XPGPUNPLLPGNSL-UHFFFAOYSA-N 2 2 369.469 2.342 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623173 550505799 /nfs/dbraw/zinc/50/57/99/550505799.db2.gz ZSTPJJILSCSZLC-RISCZKNCSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623173 550505800 /nfs/dbraw/zinc/50/58/00/550505800.db2.gz ZSTPJJILSCSZLC-RISCZKNCSA-N 2 2 370.291 2.145 20 10 FECDLP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]cc3C(N)=O)cc2F)CC1 ZINC000302224642 553711726 /nfs/dbraw/zinc/71/17/26/553711726.db2.gz ODGANMGCYFZNRO-UHFFFAOYSA-N 2 2 357.433 2.074 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000367623749 556099939 /nfs/dbraw/zinc/09/99/39/556099939.db2.gz QOIHFGPUKJMBFK-INIZCTEOSA-N 2 2 363.477 2.193 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1O ZINC000367623749 556099941 /nfs/dbraw/zinc/09/99/41/556099941.db2.gz QOIHFGPUKJMBFK-INIZCTEOSA-N 2 2 363.477 2.193 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)NCC[N@H+](C)C3CC3)CC2)cc1 ZINC000369245362 556547639 /nfs/dbraw/zinc/54/76/39/556547639.db2.gz XSJILROWNLATNH-UHFFFAOYSA-N 2 2 360.502 2.400 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)NCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000369245362 556547641 /nfs/dbraw/zinc/54/76/41/556547641.db2.gz XSJILROWNLATNH-UHFFFAOYSA-N 2 2 360.502 2.400 20 10 FECDLP CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000370613256 556921845 /nfs/dbraw/zinc/92/18/45/556921845.db2.gz YAYLZTSLXNTZFQ-UYAOXDASSA-N 2 2 360.546 2.200 20 10 FECDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(O)c1OC ZINC000895231138 689680909 /nfs/dbraw/zinc/68/09/09/689680909.db2.gz WHOCHXPSGGQROW-INIZCTEOSA-N 2 2 350.459 2.096 20 10 FECDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(O)c1OC ZINC000895231138 689680912 /nfs/dbraw/zinc/68/09/12/689680912.db2.gz WHOCHXPSGGQROW-INIZCTEOSA-N 2 2 350.459 2.096 20 10 FECDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(cc1O)CCCC2 ZINC000359958536 533543504 /nfs/dbraw/zinc/54/35/04/533543504.db2.gz KGTFPYFJGZQRQS-XLIONFOSSA-N 2 2 373.541 2.328 20 10 FECDLP COc1cc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000160234672 546020692 /nfs/dbraw/zinc/02/06/92/546020692.db2.gz RJRGOTUJVSJFDX-CQSZACIVSA-N 2 2 350.459 2.095 20 10 FECDLP COc1cc(O)c(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000160234672 546020696 /nfs/dbraw/zinc/02/06/96/546020696.db2.gz RJRGOTUJVSJFDX-CQSZACIVSA-N 2 2 350.459 2.095 20 10 FECDLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@@H+]2C)cn1 ZINC000363177512 555046345 /nfs/dbraw/zinc/04/63/45/555046345.db2.gz VHUMSXXZVXUVAX-ORAYPTAESA-N 2 2 358.442 2.027 20 10 FECDLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@H+]2C)cn1 ZINC000363177512 555046348 /nfs/dbraw/zinc/04/63/48/555046348.db2.gz VHUMSXXZVXUVAX-ORAYPTAESA-N 2 2 358.442 2.027 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000370768314 556962593 /nfs/dbraw/zinc/96/25/93/556962593.db2.gz ZMBBNAMAIQQQFH-KRWDZBQOSA-N 2 2 351.516 2.203 20 10 FECDLP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)c(F)cc2O)(N2CCOCC2)CC1 ZINC000840955809 680857095 /nfs/dbraw/zinc/85/70/95/680857095.db2.gz XGRPTZLANJSTNI-UHFFFAOYSA-N 2 2 371.884 2.071 20 10 FECDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765428 680910891 /nfs/dbraw/zinc/91/08/91/680910891.db2.gz YBPQISLOMXNDNM-HOCLYGCPSA-N 2 2 353.894 2.103 20 10 FECDLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000771055706 681039505 /nfs/dbraw/zinc/03/95/05/681039505.db2.gz CRRJLBAANVJNET-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000771055706 681039508 /nfs/dbraw/zinc/03/95/08/681039508.db2.gz CRRJLBAANVJNET-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055706 681039510 /nfs/dbraw/zinc/03/95/10/681039510.db2.gz CRRJLBAANVJNET-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055706 681039513 /nfs/dbraw/zinc/03/95/13/681039513.db2.gz CRRJLBAANVJNET-INIZCTEOSA-N 2 2 353.894 2.468 20 10 FECDLP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966628 683190321 /nfs/dbraw/zinc/19/03/21/683190321.db2.gz XOWAREJOVVUUPC-WBVHZDCISA-N 2 2 353.482 2.280 20 10 FECDLP Cn1cc[nH+]c1N1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862419247 683588882 /nfs/dbraw/zinc/58/88/82/683588882.db2.gz WWFSWBMUZZNHIX-UHFFFAOYSA-N 2 2 351.248 2.210 20 10 FECDLP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882985226 687540539 /nfs/dbraw/zinc/54/05/39/687540539.db2.gz NPTKFVDSNPSOES-UHFFFAOYSA-N 2 2 374.298 2.411 20 10 FECDLP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882985226 687540546 /nfs/dbraw/zinc/54/05/46/687540546.db2.gz NPTKFVDSNPSOES-UHFFFAOYSA-N 2 2 374.298 2.411 20 10 FECDLP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+]1CCOCC1 ZINC000153342419 544763462 /nfs/dbraw/zinc/76/34/62/544763462.db2.gz KEEBNZICYCXVKX-SJORKVTESA-N 2 2 365.493 2.281 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369369125 556582321 /nfs/dbraw/zinc/58/23/21/556582321.db2.gz FIIVECZZMLODAY-GOSISDBHSA-N 2 2 373.545 2.063 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369369125 556582323 /nfs/dbraw/zinc/58/23/23/556582323.db2.gz FIIVECZZMLODAY-GOSISDBHSA-N 2 2 373.545 2.063 20 10 FECDLP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1O ZINC000848524851 681571419 /nfs/dbraw/zinc/57/14/19/681571419.db2.gz XWMXCMJKXQDCES-DGCLKSJQSA-N 2 2 373.291 2.271 20 10 FECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883091679 687562151 /nfs/dbraw/zinc/56/21/51/687562151.db2.gz UGMVXBJFGRXUOD-GFCCVEGCSA-N 2 2 374.298 2.409 20 10 FECDLP Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000883371482 687616309 /nfs/dbraw/zinc/61/63/09/687616309.db2.gz MDPDUSDKLBMELL-MRXNPFEDSA-N 2 2 367.921 2.240 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771114 544469405 /nfs/dbraw/zinc/46/94/05/544469405.db2.gz UYCLJRCJZXLPSD-LJQANCHMSA-N 2 2 358.530 2.129 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150771114 544469408 /nfs/dbraw/zinc/46/94/08/544469408.db2.gz UYCLJRCJZXLPSD-LJQANCHMSA-N 2 2 358.530 2.129 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358273 545732272 /nfs/dbraw/zinc/73/22/72/545732272.db2.gz REDIURUOCRORBP-FQEVSTJZSA-N 2 2 358.530 2.319 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358273 545732277 /nfs/dbraw/zinc/73/22/77/545732277.db2.gz REDIURUOCRORBP-FQEVSTJZSA-N 2 2 358.530 2.319 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367771 550495835 /nfs/dbraw/zinc/49/58/35/550495835.db2.gz BWJJOWZITNMJBJ-BXUZGUMPSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367771 550495837 /nfs/dbraw/zinc/49/58/37/550495837.db2.gz BWJJOWZITNMJBJ-BXUZGUMPSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890340 554893722 /nfs/dbraw/zinc/89/37/22/554893722.db2.gz XXOKMCOSGLIHBW-SZMVWBNQSA-N 2 2 363.477 2.176 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890340 554893724 /nfs/dbraw/zinc/89/37/24/554893724.db2.gz XXOKMCOSGLIHBW-SZMVWBNQSA-N 2 2 363.477 2.176 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601434 /nfs/dbraw/zinc/60/14/34/555601434.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601436 /nfs/dbraw/zinc/60/14/36/555601436.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601439 /nfs/dbraw/zinc/60/14/39/555601439.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000365533972 555601441 /nfs/dbraw/zinc/60/14/41/555601441.db2.gz DIXYUGKGPOHGGC-HMXCVIKNSA-N 2 2 370.541 2.127 20 10 FECDLP CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373455 556583358 /nfs/dbraw/zinc/58/33/58/556583358.db2.gz PFLKEGBEWNPLEE-SFHVURJKSA-N 2 2 374.529 2.482 20 10 FECDLP CCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373455 556583360 /nfs/dbraw/zinc/58/33/60/556583360.db2.gz PFLKEGBEWNPLEE-SFHVURJKSA-N 2 2 374.529 2.482 20 10 FECDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765429 680910846 /nfs/dbraw/zinc/91/08/46/680910846.db2.gz YBPQISLOMXNDNM-ZBFHGGJFSA-N 2 2 353.894 2.103 20 10 FECDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000845973285 681167789 /nfs/dbraw/zinc/16/77/89/681167789.db2.gz YJQPTPQTKZOJNG-AWEZNQCLSA-N 2 2 350.459 2.469 20 10 FECDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371607 687616005 /nfs/dbraw/zinc/61/60/05/687616005.db2.gz QVGYYNAQUISUPU-RDJZCZTQSA-N 2 2 367.921 2.493 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134934376 544328559 /nfs/dbraw/zinc/32/85/59/544328559.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134934376 544328560 /nfs/dbraw/zinc/32/85/60/544328560.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134934376 544328562 /nfs/dbraw/zinc/32/85/62/544328562.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 2 2 370.541 2.318 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134934376 544328564 /nfs/dbraw/zinc/32/85/64/544328564.db2.gz HVGDNNVRYWKKCO-WIYYLYMNSA-N 2 2 370.541 2.318 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162784810 546141945 /nfs/dbraw/zinc/14/19/45/546141945.db2.gz XCRDRLLMLJBTBX-RTBURBONSA-N 3 2 360.546 2.280 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162784810 546141947 /nfs/dbraw/zinc/14/19/47/546141947.db2.gz XCRDRLLMLJBTBX-RTBURBONSA-N 3 2 360.546 2.280 20 10 FECDLP COc1cc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)cc(OC)c1OC ZINC000273611990 550505167 /nfs/dbraw/zinc/50/51/67/550505167.db2.gz OCDZLLOWOIKBBG-UHFFFAOYSA-N 2 2 360.458 2.040 20 10 FECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1O ZINC000275313818 550571534 /nfs/dbraw/zinc/57/15/34/550571534.db2.gz JSWZOOOMUTYDAW-GXTWGEPZSA-N 2 2 356.308 2.360 20 10 FECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1O ZINC000275313818 550571536 /nfs/dbraw/zinc/57/15/36/550571536.db2.gz JSWZOOOMUTYDAW-GXTWGEPZSA-N 2 2 356.308 2.360 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278414254 550783385 /nfs/dbraw/zinc/78/33/85/550783385.db2.gz FQOBJZPKFFGUMF-CABCVRRESA-N 2 2 350.459 2.330 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278414254 550783387 /nfs/dbraw/zinc/78/33/87/550783387.db2.gz FQOBJZPKFFGUMF-CABCVRRESA-N 2 2 350.459 2.330 20 10 FECDLP Cc1cc(O)c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1Cl ZINC000895686937 689754984 /nfs/dbraw/zinc/75/49/84/689754984.db2.gz WOPGPPXVWACIES-QGZVFWFLSA-N 2 2 367.921 2.240 20 10 FECDLP Oc1ccc(Br)cc1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974039 690990732 /nfs/dbraw/zinc/99/07/32/690990732.db2.gz KELMBVYGRRSETP-CQSZACIVSA-N 2 2 355.276 2.403 20 10 FECDLP CCOc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1O ZINC000236901540 548788317 /nfs/dbraw/zinc/78/83/17/548788317.db2.gz FZSZREGBSWRRMW-LJQANCHMSA-N 2 2 356.466 2.300 20 10 FECDLP CCOc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1O ZINC000236901540 548788319 /nfs/dbraw/zinc/78/83/19/548788319.db2.gz FZSZREGBSWRRMW-LJQANCHMSA-N 2 2 356.466 2.300 20 10 FECDLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639051 549998973 /nfs/dbraw/zinc/99/89/73/549998973.db2.gz VKRCOXFBJQUYDU-LJQANCHMSA-N 2 2 353.466 2.489 20 10 FECDLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264639051 549998974 /nfs/dbraw/zinc/99/89/74/549998974.db2.gz VKRCOXFBJQUYDU-LJQANCHMSA-N 2 2 353.466 2.489 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278414257 550783394 /nfs/dbraw/zinc/78/33/94/550783394.db2.gz FQOBJZPKFFGUMF-GJZGRUSLSA-N 2 2 350.459 2.330 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278414257 550783396 /nfs/dbraw/zinc/78/33/96/550783396.db2.gz FQOBJZPKFFGUMF-GJZGRUSLSA-N 2 2 350.459 2.330 20 10 FECDLP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc(O)c3O)CC2)CC1 ZINC000365311697 555538947 /nfs/dbraw/zinc/53/89/47/555538947.db2.gz DJZYNHXVEBJHSH-UHFFFAOYSA-N 2 2 361.486 2.024 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300943 557137176 /nfs/dbraw/zinc/13/71/76/557137176.db2.gz RLMJMMRYYLGHBM-RYQLBKOJSA-N 2 2 350.434 2.417 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371300943 557137179 /nfs/dbraw/zinc/13/71/79/557137179.db2.gz RLMJMMRYYLGHBM-RYQLBKOJSA-N 2 2 350.434 2.417 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387169 681000833 /nfs/dbraw/zinc/00/08/33/681000833.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 2 2 352.862 2.436 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387169 681000834 /nfs/dbraw/zinc/00/08/34/681000834.db2.gz FNPOFUUXCIKENA-AWEZNQCLSA-N 2 2 352.862 2.436 20 10 FECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645086 683756750 /nfs/dbraw/zinc/75/67/50/683756750.db2.gz AXANTGZNGTUDNC-GHMZBOCLSA-N 2 2 363.336 2.268 20 10 FECDLP COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645086 683756757 /nfs/dbraw/zinc/75/67/57/683756757.db2.gz AXANTGZNGTUDNC-GHMZBOCLSA-N 2 2 363.336 2.268 20 10 FECDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cc(F)ccc1O ZINC000184981100 547911198 /nfs/dbraw/zinc/91/11/98/547911198.db2.gz KOWNPODNZOXLMW-HNNXBMFYSA-N 2 2 359.449 2.184 20 10 FECDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000184980774 547911223 /nfs/dbraw/zinc/91/12/23/547911223.db2.gz MUSWTFDHMUPMRR-QGZVFWFLSA-N 2 2 355.486 2.354 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c(C)cnn3C)CC2)cc1 ZINC000285448965 551758347 /nfs/dbraw/zinc/75/83/47/551758347.db2.gz MACHFLVVTIFOFZ-UHFFFAOYSA-N 2 2 357.502 2.039 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c(C)n[nH]c3C)CC2)cc1 ZINC000298945345 553493107 /nfs/dbraw/zinc/49/31/07/553493107.db2.gz BHGJUAKHOCORPI-UHFFFAOYSA-N 2 2 357.502 2.337 20 10 FECDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780684 557561299 /nfs/dbraw/zinc/56/12/99/557561299.db2.gz KZUSCJNNHLQPLY-PZJWPPBQSA-N 2 2 360.546 2.200 20 10 FECDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C(=O)C1 ZINC000374753701 557925888 /nfs/dbraw/zinc/92/58/88/557925888.db2.gz LVOSMOXPARSRQQ-UHFFFAOYSA-N 2 2 370.541 2.415 20 10 FECDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccc(N4CCCCC4)cc3)CC2)C(=O)C1 ZINC000374753701 557925889 /nfs/dbraw/zinc/92/58/89/557925889.db2.gz LVOSMOXPARSRQQ-UHFFFAOYSA-N 2 2 370.541 2.415 20 10 FECDLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830543724 677046336 /nfs/dbraw/zinc/04/63/36/677046336.db2.gz CKGVDFARCBLEFT-HNNXBMFYSA-N 2 2 351.878 2.220 20 10 FECDLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830543724 677046337 /nfs/dbraw/zinc/04/63/37/677046337.db2.gz CKGVDFARCBLEFT-HNNXBMFYSA-N 2 2 351.878 2.220 20 10 FECDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)c(F)cc1O ZINC000854232699 682526797 /nfs/dbraw/zinc/52/67/97/682526797.db2.gz RZSRKFNKJUGBKB-ZETCQYMHSA-N 2 2 371.210 2.099 20 10 FECDLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)cc(F)c1O ZINC000925810669 683039881 /nfs/dbraw/zinc/03/98/81/683039881.db2.gz FHRITBPIPFMYME-SNVBAGLBSA-N 2 2 360.271 2.368 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000367603764 556095096 /nfs/dbraw/zinc/09/50/96/556095096.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 2 2 358.530 2.268 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000367603764 556095098 /nfs/dbraw/zinc/09/50/98/556095098.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 2 2 358.530 2.268 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000367603764 556095101 /nfs/dbraw/zinc/09/51/01/556095101.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 2 2 358.530 2.268 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367603764 556095103 /nfs/dbraw/zinc/09/51/03/556095103.db2.gz OAIZQJKLSYWYKY-YOFSQIOKSA-N 2 2 358.530 2.268 20 10 FECDLP CC[C@H](c1ccccc1O)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037473 556200640 /nfs/dbraw/zinc/20/06/40/556200640.db2.gz NASYVURSRAFMNG-DOTOQJQBSA-N 2 2 352.500 2.084 20 10 FECDLP CC[C@H](c1ccccc1O)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037574 556200954 /nfs/dbraw/zinc/20/09/54/556200954.db2.gz NASYVURSRAFMNG-NVXWUHKLSA-N 2 2 352.500 2.084 20 10 FECDLP C[C@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000370654470 556932335 /nfs/dbraw/zinc/93/23/35/556932335.db2.gz YZSAWWHKRRYYTL-KRWDZBQOSA-N 2 2 358.530 2.490 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183694 557100189 /nfs/dbraw/zinc/10/01/89/557100189.db2.gz FUFJQQJHYNECFH-SFHVURJKSA-N 2 2 363.477 2.334 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183694 557100193 /nfs/dbraw/zinc/10/01/93/557100193.db2.gz FUFJQQJHYNECFH-SFHVURJKSA-N 2 2 363.477 2.334 20 10 FECDLP COC[C@@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974384 675188672 /nfs/dbraw/zinc/18/86/72/675188672.db2.gz LCGRSIHQLWSVFK-BEFAXECRSA-N 2 2 351.466 2.082 20 10 FECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000743870953 673774228 /nfs/dbraw/zinc/77/42/28/673774228.db2.gz JCCKGYTWKUUWLW-OAHLLOKOSA-N 2 2 357.292 2.433 20 10 FECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH+]1CCCC1 ZINC000743870953 673774232 /nfs/dbraw/zinc/77/42/32/673774232.db2.gz JCCKGYTWKUUWLW-OAHLLOKOSA-N 2 2 357.292 2.433 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387172 681000853 /nfs/dbraw/zinc/00/08/53/681000853.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 2 2 352.862 2.436 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843387172 681000854 /nfs/dbraw/zinc/00/08/54/681000854.db2.gz FNPOFUUXCIKENA-CQSZACIVSA-N 2 2 352.862 2.436 20 10 FECDLP CCO[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966626 683190517 /nfs/dbraw/zinc/19/05/17/683190517.db2.gz XOWAREJOVVUUPC-NVXWUHKLSA-N 2 2 353.482 2.280 20 10 FECDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226765 685099957 /nfs/dbraw/zinc/09/99/57/685099957.db2.gz ATBSAJOEXYBTIE-UONOGXRCSA-N 2 2 361.383 2.231 20 10 FECDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(F)(F)F ZINC000873226765 685099964 /nfs/dbraw/zinc/09/99/64/685099964.db2.gz ATBSAJOEXYBTIE-UONOGXRCSA-N 2 2 361.383 2.231 20 10 FECDLP C[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000883371608 687616621 /nfs/dbraw/zinc/61/66/21/687616621.db2.gz QVGYYNAQUISUPU-WBVHZDCISA-N 2 2 367.921 2.493 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cn(C)nc3C)CC2)cc1 ZINC000159635712 545969578 /nfs/dbraw/zinc/96/95/78/545969578.db2.gz FHJYNIILUBOJPX-UHFFFAOYSA-N 2 2 357.502 2.039 20 10 FECDLP COc1ccc(O)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190313819 548322491 /nfs/dbraw/zinc/32/24/91/548322491.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190313819 548322496 /nfs/dbraw/zinc/32/24/96/548322496.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190313819 548322500 /nfs/dbraw/zinc/32/25/00/548322500.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190313819 548322502 /nfs/dbraw/zinc/32/25/02/548322502.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 2 356.466 2.470 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266797303 550024137 /nfs/dbraw/zinc/02/41/37/550024137.db2.gz YJBNUCCPTXUTST-UHFFFAOYSA-N 2 2 355.486 2.314 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367780 550495822 /nfs/dbraw/zinc/49/58/22/550495822.db2.gz BWJJOWZITNMJBJ-SMDDNHRTSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367780 550495821 /nfs/dbraw/zinc/49/58/21/550495821.db2.gz BWJJOWZITNMJBJ-SMDDNHRTSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000863540815 683740197 /nfs/dbraw/zinc/74/01/97/683740197.db2.gz HZRDFYMQXLGRGG-AWEZNQCLSA-N 2 2 353.894 2.335 20 10 FECDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000271834970 550404942 /nfs/dbraw/zinc/40/49/42/550404942.db2.gz RRTJKJXXVTUHLK-UHFFFAOYSA-N 2 2 351.466 2.399 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374210477 557844344 /nfs/dbraw/zinc/84/43/44/557844344.db2.gz VBQXTDDWTWQGJR-UHFFFAOYSA-N 2 2 355.486 2.314 20 10 FECDLP COc1c(O)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304433 558310898 /nfs/dbraw/zinc/31/08/98/558310898.db2.gz AELHBIUGWIEUKQ-CYBMUJFWSA-N 2 2 360.414 2.497 20 10 FECDLP COc1c(O)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304433 558310900 /nfs/dbraw/zinc/31/09/00/558310900.db2.gz AELHBIUGWIEUKQ-CYBMUJFWSA-N 2 2 360.414 2.497 20 10 FECDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)cc(F)c1O ZINC000854231805 682526735 /nfs/dbraw/zinc/52/67/35/682526735.db2.gz IUHKJGBDOZKGDB-SSDOTTSWSA-N 2 2 371.210 2.099 20 10 FECDLP C[NH+]1CCN(C2CC[NH+](Cc3c(O)cccc3Br)CC2)CC1 ZINC000877746987 686448996 /nfs/dbraw/zinc/44/89/96/686448996.db2.gz QIFPSDVRDYTMOR-UHFFFAOYSA-N 2 2 368.319 2.367 20 10 FECDLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246680994 549188082 /nfs/dbraw/zinc/18/80/82/549188082.db2.gz VVHHGEYCBKSPJS-FXAWDEMLSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246680994 549188086 /nfs/dbraw/zinc/18/80/86/549188086.db2.gz VVHHGEYCBKSPJS-FXAWDEMLSA-N 2 2 369.513 2.491 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267467562 550032237 /nfs/dbraw/zinc/03/22/37/550032237.db2.gz WUAQWXKCCOGWKP-KRWDZBQOSA-N 2 2 355.486 2.314 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267467562 550032239 /nfs/dbraw/zinc/03/22/39/550032239.db2.gz WUAQWXKCCOGWKP-KRWDZBQOSA-N 2 2 355.486 2.314 20 10 FECDLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000273304121 550493761 /nfs/dbraw/zinc/49/37/61/550493761.db2.gz CJEXGSIBTLFYPK-CQSZACIVSA-N 2 2 371.441 2.298 20 10 FECDLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3O)CC2)CC1 ZINC000289766867 552375253 /nfs/dbraw/zinc/37/52/53/552375253.db2.gz KHJUUMWTYHWEMK-UHFFFAOYSA-N 2 2 351.878 2.032 20 10 FECDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958866 554857654 /nfs/dbraw/zinc/85/76/54/554857654.db2.gz LDRDJUIODSUBNX-ZBFHGGJFSA-N 2 2 353.894 2.103 20 10 FECDLP CC[C@@H](c1ccccc1O)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000368037576 556200904 /nfs/dbraw/zinc/20/09/04/556200904.db2.gz NASYVURSRAFMNG-WBVHZDCISA-N 2 2 352.500 2.084 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183693 557099845 /nfs/dbraw/zinc/09/98/45/557099845.db2.gz FUFJQQJHYNECFH-GOSISDBHSA-N 2 2 363.477 2.334 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1O ZINC000371183693 557099851 /nfs/dbraw/zinc/09/98/51/557099851.db2.gz FUFJQQJHYNECFH-GOSISDBHSA-N 2 2 363.477 2.334 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479139 680949447 /nfs/dbraw/zinc/94/94/47/680949447.db2.gz XJEXQYYYQGTUBI-HNNXBMFYSA-N 2 2 363.849 2.136 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000842479139 680949448 /nfs/dbraw/zinc/94/94/48/680949448.db2.gz XJEXQYYYQGTUBI-HNNXBMFYSA-N 2 2 363.849 2.136 20 10 FECDLP Cc1cc(O)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c(Cl)c1 ZINC000843118182 680988824 /nfs/dbraw/zinc/98/88/24/680988824.db2.gz BNHIRRVMRLAKDK-UHFFFAOYSA-N 2 2 361.877 2.428 20 10 FECDLP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017478 542903219 /nfs/dbraw/zinc/90/32/19/542903219.db2.gz GRXPAKJEKCKPMT-FQEVSTJZSA-N 2 2 359.514 2.067 20 10 FECDLP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093017478 542903223 /nfs/dbraw/zinc/90/32/23/542903223.db2.gz GRXPAKJEKCKPMT-FQEVSTJZSA-N 2 2 359.514 2.067 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156543121 545635285 /nfs/dbraw/zinc/63/52/85/545635285.db2.gz BBWRLTIYLFTLSH-APWZRJJASA-N 2 2 355.486 2.148 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156543121 545635288 /nfs/dbraw/zinc/63/52/88/545635288.db2.gz BBWRLTIYLFTLSH-APWZRJJASA-N 2 2 355.486 2.148 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623178 550505938 /nfs/dbraw/zinc/50/59/38/550505938.db2.gz ZSTPJJILSCSZLC-SMDDNHRTSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(Br)cc1O ZINC000273623178 550505936 /nfs/dbraw/zinc/50/59/36/550505936.db2.gz ZSTPJJILSCSZLC-SMDDNHRTSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890338 554893694 /nfs/dbraw/zinc/89/36/94/554893694.db2.gz XXOKMCOSGLIHBW-JQHSSLGASA-N 2 2 363.477 2.176 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890338 554893697 /nfs/dbraw/zinc/89/36/97/554893697.db2.gz XXOKMCOSGLIHBW-JQHSSLGASA-N 2 2 363.477 2.176 20 10 FECDLP O=C(C[NH2+]Cc1cc(Cl)cc(F)c1O)NCC[NH+]1CCCCCC1 ZINC000816620230 675069012 /nfs/dbraw/zinc/06/90/12/675069012.db2.gz MWIWSTKGHUWRCV-UHFFFAOYSA-N 2 2 357.857 2.267 20 10 FECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289650 680838316 /nfs/dbraw/zinc/83/83/16/680838316.db2.gz COJPMULBZBPGIO-WBVHZDCISA-N 2 2 367.921 2.284 20 10 FECDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)cc(F)c1O ZINC000854231806 682526902 /nfs/dbraw/zinc/52/69/02/682526902.db2.gz IUHKJGBDOZKGDB-ZETCQYMHSA-N 2 2 371.210 2.099 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719192 541857105 /nfs/dbraw/zinc/85/71/05/541857105.db2.gz BTAAOYRQVGDIGT-LJQANCHMSA-N 2 2 358.530 2.177 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072719192 541857108 /nfs/dbraw/zinc/85/71/08/541857108.db2.gz BTAAOYRQVGDIGT-LJQANCHMSA-N 2 2 358.530 2.177 20 10 FECDLP COc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000184675059 547863357 /nfs/dbraw/zinc/86/33/57/547863357.db2.gz NKCHWUWFGDBJQN-UHFFFAOYSA-N 2 2 353.894 2.268 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278414261 550783189 /nfs/dbraw/zinc/78/31/89/550783189.db2.gz FQOBJZPKFFGUMF-LSDHHAIUSA-N 2 2 350.459 2.330 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278414261 550783190 /nfs/dbraw/zinc/78/31/90/550783190.db2.gz FQOBJZPKFFGUMF-LSDHHAIUSA-N 2 2 350.459 2.330 20 10 FECDLP CCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)n1 ZINC000295253735 552976304 /nfs/dbraw/zinc/97/63/04/552976304.db2.gz UKNPENWWHAXTFK-UHFFFAOYSA-N 2 2 360.481 2.177 20 10 FECDLP c1cc(N2CCCC2)ccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000370669667 556935828 /nfs/dbraw/zinc/93/58/28/556935828.db2.gz PCLFRSFETFMHHQ-UHFFFAOYSA-N 2 2 372.557 2.173 20 10 FECDLP c1cc(N2CCCC2)ccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000370669667 556935830 /nfs/dbraw/zinc/93/58/30/556935830.db2.gz PCLFRSFETFMHHQ-UHFFFAOYSA-N 2 2 372.557 2.173 20 10 FECDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816546417 675063916 /nfs/dbraw/zinc/06/39/16/675063916.db2.gz JOWUFRGTDIZQBB-UHFFFAOYSA-N 2 2 357.857 2.217 20 10 FECDLP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000843124739 680989005 /nfs/dbraw/zinc/98/90/05/680989005.db2.gz MFEWPSOVMSZHRV-MRXNPFEDSA-N 2 2 356.436 2.251 20 10 FECDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982243 675189048 /nfs/dbraw/zinc/18/90/48/675189048.db2.gz PTAGCWCXRXCFBM-GDBMZVCRSA-N 2 2 353.894 2.206 20 10 FECDLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591221 681400516 /nfs/dbraw/zinc/40/05/16/681400516.db2.gz SCIJPPUUJXUEKD-WMLDXEAASA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591221 681400517 /nfs/dbraw/zinc/40/05/17/681400517.db2.gz SCIJPPUUJXUEKD-WMLDXEAASA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591221 681400518 /nfs/dbraw/zinc/40/05/18/681400518.db2.gz SCIJPPUUJXUEKD-WMLDXEAASA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591221 681400520 /nfs/dbraw/zinc/40/05/20/681400520.db2.gz SCIJPPUUJXUEKD-WMLDXEAASA-N 2 2 365.905 2.468 20 10 FECDLP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000799346759 683447739 /nfs/dbraw/zinc/44/77/39/683447739.db2.gz RMTIWISGPOLYSZ-UHFFFAOYSA-N 2 2 356.308 2.270 20 10 FECDLP C[N@H+]1CCN(CC[NH2+]Cc2cccc(Br)c2O)CC1(C)C ZINC000799346759 683447740 /nfs/dbraw/zinc/44/77/40/683447740.db2.gz RMTIWISGPOLYSZ-UHFFFAOYSA-N 2 2 356.308 2.270 20 10 FECDLP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+]1CCOCC1 ZINC000153342606 544763717 /nfs/dbraw/zinc/76/37/17/544763717.db2.gz KEEBNZICYCXVKX-IAGOWNOFSA-N 2 2 365.493 2.281 20 10 FECDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+]1CCOCC1 ZINC000153342296 544763720 /nfs/dbraw/zinc/76/37/20/544763720.db2.gz KEEBNZICYCXVKX-IRXDYDNUSA-N 2 2 365.493 2.281 20 10 FECDLP COc1c(O)c(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)ccc1[N+](=O)[O-] ZINC000278950314 550839432 /nfs/dbraw/zinc/83/94/32/550839432.db2.gz ZJRWLMSKVLPULC-UHFFFAOYSA-N 2 2 373.413 2.068 20 10 FECDLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810213806 674537307 /nfs/dbraw/zinc/53/73/07/674537307.db2.gz HXFGDNLDQCEYSV-AWEZNQCLSA-N 2 2 359.392 2.226 20 10 FECDLP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)cc(F)c1O ZINC000817935479 675187076 /nfs/dbraw/zinc/18/70/76/675187076.db2.gz HHOZDQVTLQALIQ-NSHDSACASA-N 2 2 360.271 2.240 20 10 FECDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289647 680838304 /nfs/dbraw/zinc/83/83/04/680838304.db2.gz COJPMULBZBPGIO-RDJZCZTQSA-N 2 2 367.921 2.284 20 10 FECDLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000877478433 686385983 /nfs/dbraw/zinc/38/59/83/686385983.db2.gz GKHGJAIMRXZKSE-UHFFFAOYSA-N 2 2 357.292 2.480 20 10 FECDLP COc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c(O)c1OC ZINC000896036339 689810050 /nfs/dbraw/zinc/81/00/50/689810050.db2.gz PMIWXDXQHVXZFT-UHFFFAOYSA-N 2 2 350.459 2.142 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000066174570 541286032 /nfs/dbraw/zinc/28/60/32/541286032.db2.gz FUXNMUWZWBWPIN-UHFFFAOYSA-N 2 2 360.502 2.400 20 10 FECDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899774 /nfs/dbraw/zinc/89/97/74/543899774.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 2 360.546 2.373 20 10 FECDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899776 /nfs/dbraw/zinc/89/97/76/543899776.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 2 360.546 2.373 20 10 FECDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899777 /nfs/dbraw/zinc/89/97/77/543899777.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 2 360.546 2.373 20 10 FECDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899779 /nfs/dbraw/zinc/89/97/79/543899779.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 2 360.546 2.373 20 10 FECDLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004753 545913640 /nfs/dbraw/zinc/91/36/40/545913640.db2.gz VVHHGEYCBKSPJS-PXNSSMCTSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004753 545913644 /nfs/dbraw/zinc/91/36/44/545913644.db2.gz VVHHGEYCBKSPJS-PXNSSMCTSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922681 550611441 /nfs/dbraw/zinc/61/14/41/550611441.db2.gz MTXFZTXEUCHGJY-WFASDCNBSA-N 2 2 355.429 2.264 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922681 550611443 /nfs/dbraw/zinc/61/14/43/550611443.db2.gz MTXFZTXEUCHGJY-WFASDCNBSA-N 2 2 355.429 2.264 20 10 FECDLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@@H+]2C)cn1 ZINC000363177510 555046634 /nfs/dbraw/zinc/04/66/34/555046634.db2.gz VHUMSXXZVXUVAX-BFUOFWGJSA-N 2 2 358.442 2.027 20 10 FECDLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cc4c(cc3O)OCO4)CCC[N@H+]2C)cn1 ZINC000363177510 555046637 /nfs/dbraw/zinc/04/66/37/555046637.db2.gz VHUMSXXZVXUVAX-BFUOFWGJSA-N 2 2 358.442 2.027 20 10 FECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698311 556117272 /nfs/dbraw/zinc/11/72/72/556117272.db2.gz OPWGHXHJGFYELU-SHFXZJCHSA-N 2 2 358.530 2.487 20 10 FECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698311 556117273 /nfs/dbraw/zinc/11/72/73/556117273.db2.gz OPWGHXHJGFYELU-SHFXZJCHSA-N 2 2 358.530 2.487 20 10 FECDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780680 557561239 /nfs/dbraw/zinc/56/12/39/557561239.db2.gz KZUSCJNNHLQPLY-CTNGQTDRSA-N 2 2 360.546 2.200 20 10 FECDLP C[N@@H+]1CCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C(=O)C1 ZINC000373124244 557633672 /nfs/dbraw/zinc/63/36/72/557633672.db2.gz KPVHKYJJHLRRTQ-UHFFFAOYSA-N 2 2 353.466 2.284 20 10 FECDLP C[N@H+]1CCN(C2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)C(=O)C1 ZINC000373124244 557633674 /nfs/dbraw/zinc/63/36/74/557633674.db2.gz KPVHKYJJHLRRTQ-UHFFFAOYSA-N 2 2 353.466 2.284 20 10 FECDLP COc1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000375202372 557991232 /nfs/dbraw/zinc/99/12/32/557991232.db2.gz QIPNCYXENDBEMS-INIZCTEOSA-N 2 2 353.894 2.266 20 10 FECDLP COc1cc(Cl)cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000375202372 557991233 /nfs/dbraw/zinc/99/12/33/557991233.db2.gz QIPNCYXENDBEMS-INIZCTEOSA-N 2 2 353.894 2.266 20 10 FECDLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000771055707 681039540 /nfs/dbraw/zinc/03/95/40/681039540.db2.gz CRRJLBAANVJNET-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000771055707 681039542 /nfs/dbraw/zinc/03/95/42/681039542.db2.gz CRRJLBAANVJNET-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055707 681039544 /nfs/dbraw/zinc/03/95/44/681039544.db2.gz CRRJLBAANVJNET-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771055707 681039547 /nfs/dbraw/zinc/03/95/47/681039547.db2.gz CRRJLBAANVJNET-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017476 542902914 /nfs/dbraw/zinc/90/29/14/542902914.db2.gz GRXPAKJEKCKPMT-HXUWFJFHSA-N 2 2 359.514 2.067 20 10 FECDLP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000093017476 542902918 /nfs/dbraw/zinc/90/29/18/542902918.db2.gz GRXPAKJEKCKPMT-HXUWFJFHSA-N 2 2 359.514 2.067 20 10 FECDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663791 542937628 /nfs/dbraw/zinc/93/76/28/542937628.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 2 2 355.276 2.309 20 10 FECDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663791 542937631 /nfs/dbraw/zinc/93/76/31/542937631.db2.gz QKDXXKVRVJDFFW-ZDUSSCGKSA-N 2 2 355.276 2.309 20 10 FECDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3O)CC2)CC1 ZINC000180074055 547047931 /nfs/dbraw/zinc/04/79/31/547047931.db2.gz OEDBGYRIAWQLML-UHFFFAOYSA-N 2 2 365.905 2.422 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405412 556298601 /nfs/dbraw/zinc/29/86/01/556298601.db2.gz YPORTJJWGUCAFB-VBKZILBWSA-N 2 2 374.485 2.316 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1OC ZINC000368405412 556298605 /nfs/dbraw/zinc/29/86/05/556298605.db2.gz YPORTJJWGUCAFB-VBKZILBWSA-N 2 2 374.485 2.316 20 10 FECDLP Cc1cc(Cl)cc(C[NH+]2CCC(N3CC[N@@H+](C)CC3=O)CC2)c1O ZINC000374749080 557924894 /nfs/dbraw/zinc/92/48/94/557924894.db2.gz CCJOOGAJCCNINL-UHFFFAOYSA-N 2 2 351.878 2.092 20 10 FECDLP Cc1cc(Cl)cc(C[NH+]2CCC(N3CC[N@H+](C)CC3=O)CC2)c1O ZINC000374749080 557924896 /nfs/dbraw/zinc/92/48/96/557924896.db2.gz CCJOOGAJCCNINL-UHFFFAOYSA-N 2 2 351.878 2.092 20 10 FECDLP CCO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966622 683190347 /nfs/dbraw/zinc/19/03/47/683190347.db2.gz XOWAREJOVVUUPC-DOTOQJQBSA-N 2 2 353.482 2.280 20 10 FECDLP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882887512 687523596 /nfs/dbraw/zinc/52/35/96/687523596.db2.gz VKQXNBRDFJUSGI-UHFFFAOYSA-N 2 2 374.298 2.409 20 10 FECDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000883091680 687562174 /nfs/dbraw/zinc/56/21/74/687562174.db2.gz UGMVXBJFGRXUOD-LBPRGKRZSA-N 2 2 374.298 2.409 20 10 FECDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079295 542844935 /nfs/dbraw/zinc/84/49/35/542844935.db2.gz TVNCZZWNQPXTEZ-SFHVURJKSA-N 2 2 359.514 2.208 20 10 FECDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)CCO1 ZINC000092079295 542844939 /nfs/dbraw/zinc/84/49/39/542844939.db2.gz TVNCZZWNQPXTEZ-SFHVURJKSA-N 2 2 359.514 2.208 20 10 FECDLP CCC[NH+]1CCC([NH+]2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000367901887 556168683 /nfs/dbraw/zinc/16/86/83/556168683.db2.gz HSAGQGDZKJHDMX-GQCTYLIASA-N 2 2 373.497 2.130 20 10 FECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304434 558310796 /nfs/dbraw/zinc/31/07/96/558310796.db2.gz AELHBIUGWIEUKQ-ZDUSSCGKSA-N 2 2 360.414 2.497 20 10 FECDLP COc1c(O)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000377304434 558310798 /nfs/dbraw/zinc/31/07/98/558310798.db2.gz AELHBIUGWIEUKQ-ZDUSSCGKSA-N 2 2 360.414 2.497 20 10 FECDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Br)c1O ZINC000809742736 674508373 /nfs/dbraw/zinc/50/83/73/674508373.db2.gz IARPHOIOCLYONG-UHFFFAOYSA-N 2 2 356.308 2.224 20 10 FECDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Br)c1O ZINC000809742736 674508374 /nfs/dbraw/zinc/50/83/74/674508374.db2.gz IARPHOIOCLYONG-UHFFFAOYSA-N 2 2 356.308 2.224 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000180963402 672420436 /nfs/dbraw/zinc/42/04/36/672420436.db2.gz OKSMVOCKRMFQBX-UHFFFAOYSA-N 2 2 351.466 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000180963402 672420438 /nfs/dbraw/zinc/42/04/38/672420438.db2.gz OKSMVOCKRMFQBX-UHFFFAOYSA-N 2 2 351.466 2.192 20 10 FECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289645 680838449 /nfs/dbraw/zinc/83/84/49/680838449.db2.gz COJPMULBZBPGIO-NVXWUHKLSA-N 2 2 367.921 2.284 20 10 FECDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000841098930 680863268 /nfs/dbraw/zinc/86/32/68/680863268.db2.gz AGZQODUQHOJOEA-CYBMUJFWSA-N 2 2 366.263 2.042 20 10 FECDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3O)C2)nn1 ZINC000841098930 680863270 /nfs/dbraw/zinc/86/32/70/680863270.db2.gz AGZQODUQHOJOEA-CYBMUJFWSA-N 2 2 366.263 2.042 20 10 FECDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858194471 682943133 /nfs/dbraw/zinc/94/31/33/682943133.db2.gz GNEAJFOMAKJISY-CYBMUJFWSA-N 2 2 355.276 2.498 20 10 FECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645089 683756455 /nfs/dbraw/zinc/75/64/55/683756455.db2.gz AXANTGZNGTUDNC-WDEREUQCSA-N 2 2 363.336 2.268 20 10 FECDLP COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645089 683756459 /nfs/dbraw/zinc/75/64/59/683756459.db2.gz AXANTGZNGTUDNC-WDEREUQCSA-N 2 2 363.336 2.268 20 10 FECDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000895666060 689751872 /nfs/dbraw/zinc/75/18/72/689751872.db2.gz JSXDDQODVVSPET-ZDUSSCGKSA-N 2 2 356.898 2.117 20 10 FECDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000895666060 689751876 /nfs/dbraw/zinc/75/18/76/689751876.db2.gz JSXDDQODVVSPET-ZDUSSCGKSA-N 2 2 356.898 2.117 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123813846 543784828 /nfs/dbraw/zinc/78/48/28/543784828.db2.gz YVJGRYHPZGDSJC-SFHVURJKSA-N 2 2 369.513 2.057 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123813846 543784832 /nfs/dbraw/zinc/78/48/32/543784832.db2.gz YVJGRYHPZGDSJC-SFHVURJKSA-N 2 2 369.513 2.057 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162785059 546141085 /nfs/dbraw/zinc/14/10/85/546141085.db2.gz XCRDRLLMLJBTBX-MOPGFXCFSA-N 3 2 360.546 2.280 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162785059 546141086 /nfs/dbraw/zinc/14/10/86/546141086.db2.gz XCRDRLLMLJBTBX-MOPGFXCFSA-N 3 2 360.546 2.280 20 10 FECDLP C=Cn1cc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000194184214 548446336 /nfs/dbraw/zinc/44/63/36/548446336.db2.gz UPLVDDLHGBBJOV-UHFFFAOYSA-N 2 2 355.486 2.294 20 10 FECDLP COc1c(O)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278509733 550793726 /nfs/dbraw/zinc/79/37/26/550793726.db2.gz PKXRVXRLPIYDEC-UHFFFAOYSA-N 2 2 367.446 2.288 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000360688189 554885124 /nfs/dbraw/zinc/88/51/24/554885124.db2.gz AOXXXRADGYEOMG-IFXJQAMLSA-N 2 2 363.477 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000360688189 554885127 /nfs/dbraw/zinc/88/51/27/554885127.db2.gz AOXXXRADGYEOMG-IFXJQAMLSA-N 2 2 363.477 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000360688188 554885162 /nfs/dbraw/zinc/88/51/62/554885162.db2.gz AOXXXRADGYEOMG-AUUYWEPGSA-N 2 2 363.477 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000360688188 554885163 /nfs/dbraw/zinc/88/51/63/554885163.db2.gz AOXXXRADGYEOMG-AUUYWEPGSA-N 2 2 363.477 2.192 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000378436548 558557010 /nfs/dbraw/zinc/55/70/10/558557010.db2.gz ZXPDWLYPKRXKBT-UHFFFAOYSA-N 2 2 358.530 2.271 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000378436548 558557013 /nfs/dbraw/zinc/55/70/13/558557013.db2.gz ZXPDWLYPKRXKBT-UHFFFAOYSA-N 2 2 358.530 2.271 20 10 FECDLP COc1cc(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1OC ZINC000529661681 562380302 /nfs/dbraw/zinc/38/03/02/562380302.db2.gz BEBJKAHBOMYOLA-UHFFFAOYSA-N 2 2 350.459 2.096 20 10 FECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000765289644 680838416 /nfs/dbraw/zinc/83/84/16/680838416.db2.gz COJPMULBZBPGIO-DOTOQJQBSA-N 2 2 367.921 2.284 20 10 FECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)cc1 ZINC000841042790 680860635 /nfs/dbraw/zinc/86/06/35/680860635.db2.gz ONEXMVMTXWOTAE-MRXNPFEDSA-N 2 2 356.495 2.456 20 10 FECDLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057570 680985019 /nfs/dbraw/zinc/98/50/19/680985019.db2.gz KIEYPAKRRHVFDE-XJKSGUPXSA-N 2 2 351.878 2.126 20 10 FECDLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1)[C@H]1CCC[NH2+]1 ZINC000843057570 680985020 /nfs/dbraw/zinc/98/50/20/680985020.db2.gz KIEYPAKRRHVFDE-XJKSGUPXSA-N 2 2 351.878 2.126 20 10 FECDLP COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645087 683756686 /nfs/dbraw/zinc/75/66/86/683756686.db2.gz AXANTGZNGTUDNC-MNOVXSKESA-N 2 2 363.336 2.268 20 10 FECDLP COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645087 683756690 /nfs/dbraw/zinc/75/66/90/683756690.db2.gz AXANTGZNGTUDNC-MNOVXSKESA-N 2 2 363.336 2.268 20 10 FECDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1O ZINC000879648798 686879920 /nfs/dbraw/zinc/87/99/20/686879920.db2.gz DYZPLKXANLTCNU-OAHLLOKOSA-N 2 2 359.495 2.449 20 10 FECDLP C[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369962 687616567 /nfs/dbraw/zinc/61/65/67/687616567.db2.gz DEWOEGCJJFLHKY-DOTOQJQBSA-N 2 2 367.921 2.493 20 10 FECDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208555 546293418 /nfs/dbraw/zinc/29/34/18/546293418.db2.gz QGIRNPRJWLJEPH-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000174208555 546293420 /nfs/dbraw/zinc/29/34/20/546293420.db2.gz QGIRNPRJWLJEPH-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP COc1cc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc(OC)c1OC ZINC000183706634 547704525 /nfs/dbraw/zinc/70/45/25/547704525.db2.gz XHBUDFMOWHXLJI-INIZCTEOSA-N 2 2 363.502 2.319 20 10 FECDLP COc1cc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc(OC)c1OC ZINC000183706634 547704527 /nfs/dbraw/zinc/70/45/27/547704527.db2.gz XHBUDFMOWHXLJI-INIZCTEOSA-N 2 2 363.502 2.319 20 10 FECDLP COc1cc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cc(OC)c1OC ZINC000183700972 547704828 /nfs/dbraw/zinc/70/48/28/547704828.db2.gz IYSSJSBUGGUXMX-UHFFFAOYSA-N 2 2 360.458 2.121 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285710004 551799318 /nfs/dbraw/zinc/79/93/18/551799318.db2.gz PMALQIPJMRPYPZ-WZYMTQMTSA-N 2 2 361.486 2.135 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285710004 551799319 /nfs/dbraw/zinc/79/93/19/551799319.db2.gz PMALQIPJMRPYPZ-WZYMTQMTSA-N 2 2 361.486 2.135 20 10 FECDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000372780682 557561367 /nfs/dbraw/zinc/56/13/67/557561367.db2.gz KZUSCJNNHLQPLY-FPOVZHCZSA-N 2 2 360.546 2.200 20 10 FECDLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540266 557713944 /nfs/dbraw/zinc/71/39/44/557713944.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540266 557713946 /nfs/dbraw/zinc/71/39/46/557713946.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540266 557713948 /nfs/dbraw/zinc/71/39/48/557713948.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108521 674405302 /nfs/dbraw/zinc/40/53/02/674405302.db2.gz XNOYDRMIBGURCY-OAHLLOKOSA-N 2 2 362.861 2.482 20 10 FECDLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000807108521 674405303 /nfs/dbraw/zinc/40/53/03/674405303.db2.gz XNOYDRMIBGURCY-OAHLLOKOSA-N 2 2 362.861 2.482 20 10 FECDLP COC[C@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974387 675188633 /nfs/dbraw/zinc/18/86/33/675188633.db2.gz LCGRSIHQLWSVFK-HNAYVOBHSA-N 2 2 351.466 2.082 20 10 FECDLP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974388 675188647 /nfs/dbraw/zinc/18/86/47/675188647.db2.gz LCGRSIHQLWSVFK-KXBFYZLASA-N 2 2 351.466 2.082 20 10 FECDLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665390 681322409 /nfs/dbraw/zinc/32/24/09/681322409.db2.gz PIOWVAKHLGTKQL-UHFFFAOYSA-N 2 2 357.857 2.075 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273456531 550499115 /nfs/dbraw/zinc/49/91/15/550499115.db2.gz HCENDUCCQMLMSZ-SOVGHPHASA-N 2 2 362.470 2.207 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000360688190 554885150 /nfs/dbraw/zinc/88/51/50/554885150.db2.gz AOXXXRADGYEOMG-KUHUBIRLSA-N 2 2 363.477 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000360688190 554885151 /nfs/dbraw/zinc/88/51/51/554885151.db2.gz AOXXXRADGYEOMG-KUHUBIRLSA-N 2 2 363.477 2.192 20 10 FECDLP COc1ccc([NH+]2CCC(N(C)C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cc1 ZINC000366511458 555863600 /nfs/dbraw/zinc/86/36/00/555863600.db2.gz HYPBJQUYLMNLMP-OAHLLOKOSA-N 2 2 363.527 2.218 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300941 557137227 /nfs/dbraw/zinc/13/72/27/557137227.db2.gz RLMJMMRYYLGHBM-CGTJXYLNSA-N 2 2 350.434 2.417 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371300941 557137229 /nfs/dbraw/zinc/13/72/29/557137229.db2.gz RLMJMMRYYLGHBM-CGTJXYLNSA-N 2 2 350.434 2.417 20 10 FECDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841765426 680910933 /nfs/dbraw/zinc/91/09/33/680910933.db2.gz YBPQISLOMXNDNM-GDBMZVCRSA-N 2 2 353.894 2.103 20 10 FECDLP CCO[C@H](C[NH2+]Cc1cc(Br)cc(OC)c1O)C[NH+](C)C ZINC000922756844 683778105 /nfs/dbraw/zinc/77/81/05/683778105.db2.gz PKNVBICLFDMAQD-CYBMUJFWSA-N 2 2 361.280 2.220 20 10 FECDLP C[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882984411 687540627 /nfs/dbraw/zinc/54/06/27/687540627.db2.gz HEXNTRXHECDHRJ-LLVKDONJSA-N 2 2 360.271 2.019 20 10 FECDLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(O)c1O ZINC000182516648 547506625 /nfs/dbraw/zinc/50/66/25/547506625.db2.gz DHLLZXKRLWPEFC-UHFFFAOYSA-N 2 2 361.486 2.086 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267467563 550032114 /nfs/dbraw/zinc/03/21/14/550032114.db2.gz WUAQWXKCCOGWKP-QGZVFWFLSA-N 2 2 355.486 2.314 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267467563 550032117 /nfs/dbraw/zinc/03/21/17/550032117.db2.gz WUAQWXKCCOGWKP-QGZVFWFLSA-N 2 2 355.486 2.314 20 10 FECDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273398509 550496940 /nfs/dbraw/zinc/49/69/40/550496940.db2.gz MQMHRGVANDITKC-CQSZACIVSA-N 2 2 371.441 2.298 20 10 FECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000273417888 550497953 /nfs/dbraw/zinc/49/79/53/550497953.db2.gz REIFOMDQNDTQEV-CRAIPNDOSA-N 2 2 363.502 2.101 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273456528 550499169 /nfs/dbraw/zinc/49/91/69/550499169.db2.gz HCENDUCCQMLMSZ-IXDGSTSKSA-N 2 2 362.470 2.207 20 10 FECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922680 550611318 /nfs/dbraw/zinc/61/13/18/550611318.db2.gz MTXFZTXEUCHGJY-SWLSCSKDSA-N 2 2 355.429 2.264 20 10 FECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)c(F)c1O ZINC000276922680 550611319 /nfs/dbraw/zinc/61/13/19/550611319.db2.gz MTXFZTXEUCHGJY-SWLSCSKDSA-N 2 2 355.429 2.264 20 10 FECDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(O)cccc3Cl)CC2)CC1 ZINC000120001530 671914465 /nfs/dbraw/zinc/91/44/65/671914465.db2.gz BORSXQKYLVQBCM-UHFFFAOYSA-N 2 2 365.905 2.422 20 10 FECDLP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261959 672121434 /nfs/dbraw/zinc/12/14/34/672121434.db2.gz UPZJDVIRVBNDEH-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134261959 672121438 /nfs/dbraw/zinc/12/14/38/672121438.db2.gz UPZJDVIRVBNDEH-MRXNPFEDSA-N 2 2 353.894 2.468 20 10 FECDLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000925813769 683040510 /nfs/dbraw/zinc/04/05/10/683040510.db2.gz YKDFHXDYZBNVKT-JTQLQIEISA-N 2 2 360.271 2.368 20 10 FECDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000882988368 687541889 /nfs/dbraw/zinc/54/18/89/687541889.db2.gz MPGNXJCPYHBCFT-LLVKDONJSA-N 2 2 360.271 2.019 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000162812244 546141476 /nfs/dbraw/zinc/14/14/76/546141476.db2.gz RDJAYBVFFUHPPW-KRWDZBQOSA-N 2 2 357.502 2.292 20 10 FECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(COC)on3)cc2F)CC1 ZINC000298591684 553446010 /nfs/dbraw/zinc/44/60/10/553446010.db2.gz YLIUEAXVMFNCFH-UHFFFAOYSA-N 2 2 362.449 2.392 20 10 FECDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376260 554967745 /nfs/dbraw/zinc/96/77/45/554967745.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376260 554967746 /nfs/dbraw/zinc/96/77/46/554967746.db2.gz MNWQSGOSVMPARA-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP COc1c(O)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000373910250 557785063 /nfs/dbraw/zinc/78/50/63/557785063.db2.gz MWGCAGWAJCIFNM-UHFFFAOYSA-N 2 2 358.398 2.463 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000374502038 557892042 /nfs/dbraw/zinc/89/20/42/557892042.db2.gz IGOZPSNINZDUFR-YYWHXJBOSA-N 2 2 359.514 2.427 20 10 FECDLP CCn1cc[nH+]c1CN(C(=O)Cc1ccc(N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000376678799 558206812 /nfs/dbraw/zinc/20/68/12/558206812.db2.gz HTFKIBDHQLRQQN-SFHVURJKSA-N 2 2 367.497 2.199 20 10 FECDLP COC[C@@]1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCC[NH2+]1 ZINC000841067279 680861677 /nfs/dbraw/zinc/86/16/77/680861677.db2.gz MQRLNMPIJPRHSL-HNNXBMFYSA-N 2 2 359.264 2.022 20 10 FECDLP COc1cc(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1O ZINC000778187652 681584031 /nfs/dbraw/zinc/58/40/31/681584031.db2.gz BYYREHMLSMZNRH-GFCCVEGCSA-N 2 2 352.232 2.464 20 10 FECDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1O ZINC000879651633 686879538 /nfs/dbraw/zinc/87/95/38/686879538.db2.gz DYZPLKXANLTCNU-HNNXBMFYSA-N 2 2 359.495 2.449 20 10 FECDLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800802 541629557 /nfs/dbraw/zinc/62/95/57/541629557.db2.gz WQXXNFPCLGENHH-ZFWWWQNUSA-N 2 2 356.308 2.441 20 10 FECDLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800802 541629560 /nfs/dbraw/zinc/62/95/60/541629560.db2.gz WQXXNFPCLGENHH-ZFWWWQNUSA-N 2 2 356.308 2.441 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890339 554893708 /nfs/dbraw/zinc/89/37/08/554893708.db2.gz XXOKMCOSGLIHBW-RYQLBKOJSA-N 2 2 363.477 2.176 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCOCC2)c(F)c1 ZINC000360890339 554893711 /nfs/dbraw/zinc/89/37/11/554893711.db2.gz XXOKMCOSGLIHBW-RYQLBKOJSA-N 2 2 363.477 2.176 20 10 FECDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376261 554968009 /nfs/dbraw/zinc/96/80/09/554968009.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(Br)ccc3O)CC2)C1 ZINC000362376261 554968013 /nfs/dbraw/zinc/96/80/13/554968013.db2.gz MNWQSGOSVMPARA-MRXNPFEDSA-N 2 2 368.319 2.367 20 10 FECDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000775645237 681320642 /nfs/dbraw/zinc/32/06/42/681320642.db2.gz GMIULTYWGFUUJT-UHFFFAOYSA-N 2 2 356.436 2.118 20 10 FECDLP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1O ZINC000848524854 681571449 /nfs/dbraw/zinc/57/14/49/681571449.db2.gz XWMXCMJKXQDCES-YPMHNXCESA-N 2 2 373.291 2.271 20 10 FECDLP COc1cc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000160234790 546020359 /nfs/dbraw/zinc/02/03/59/546020359.db2.gz RJRGOTUJVSJFDX-AWEZNQCLSA-N 2 2 350.459 2.095 20 10 FECDLP COc1cc(O)c(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000160234790 546020366 /nfs/dbraw/zinc/02/03/66/546020366.db2.gz RJRGOTUJVSJFDX-AWEZNQCLSA-N 2 2 350.459 2.095 20 10 FECDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(F)cc1O ZINC000184980845 547911263 /nfs/dbraw/zinc/91/12/63/547911263.db2.gz NJENFMKWFSHFAL-OAHLLOKOSA-N 2 2 359.449 2.184 20 10 FECDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc([N+](=O)[O-])ccc1O ZINC000273398505 550497103 /nfs/dbraw/zinc/49/71/03/550497103.db2.gz MQMHRGVANDITKC-AWEZNQCLSA-N 2 2 371.441 2.298 20 10 FECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698312 556117391 /nfs/dbraw/zinc/11/73/91/556117391.db2.gz OPWGHXHJGFYELU-XIHRNRATSA-N 2 2 358.530 2.487 20 10 FECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000367698312 556117394 /nfs/dbraw/zinc/11/73/94/556117394.db2.gz OPWGHXHJGFYELU-XIHRNRATSA-N 2 2 358.530 2.487 20 10 FECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000808694918 674468885 /nfs/dbraw/zinc/46/88/85/674468885.db2.gz CHJNURWWWOANFT-NVXWUHKLSA-N 2 2 367.921 2.411 20 10 FECDLP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1O ZINC000848524852 681571228 /nfs/dbraw/zinc/57/12/28/681571228.db2.gz XWMXCMJKXQDCES-WCQYABFASA-N 2 2 373.291 2.271 20 10 FECDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc(Br)c(F)cc1O ZINC000854232698 682526918 /nfs/dbraw/zinc/52/69/18/682526918.db2.gz RZSRKFNKJUGBKB-SSDOTTSWSA-N 2 2 371.210 2.099 20 10 FECDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000359958865 210200961 /nfs/dbraw/zinc/20/09/61/210200961.db2.gz LDRDJUIODSUBNX-HOCLYGCPSA-N 2 2 353.894 2.103 20 10 FECDLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004611 545913962 /nfs/dbraw/zinc/91/39/62/545913962.db2.gz VVHHGEYCBKSPJS-XLIONFOSSA-N 2 2 369.513 2.491 20 10 FECDLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000159004611 545913965 /nfs/dbraw/zinc/91/39/65/545913965.db2.gz VVHHGEYCBKSPJS-XLIONFOSSA-N 2 2 369.513 2.491 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162785185 546140925 /nfs/dbraw/zinc/14/09/25/546140925.db2.gz XCRDRLLMLJBTBX-OALUTQOASA-N 3 2 360.546 2.280 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162785185 546140929 /nfs/dbraw/zinc/14/09/29/546140929.db2.gz XCRDRLLMLJBTBX-OALUTQOASA-N 3 2 360.546 2.280 20 10 FECDLP C[NH+]1CCC(CNC(=O)/C=C/c2ccc(O)c(O)c2)([NH+]2CCCCC2)CC1 ZINC000181130212 547255641 /nfs/dbraw/zinc/25/56/41/547255641.db2.gz QSEQYMRXLQDXNW-SOFGYWHQSA-N 2 2 373.497 2.178 20 10 FECDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1O ZINC000367894529 556166844 /nfs/dbraw/zinc/16/68/44/556166844.db2.gz DKYIXYIFQRSVDK-MAUKXSAKSA-N 2 2 367.921 2.493 20 10 FECDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Cl)c1O ZINC000367894530 556167181 /nfs/dbraw/zinc/16/71/81/556167181.db2.gz DKYIXYIFQRSVDK-QAPCUYQASA-N 2 2 367.921 2.493 20 10 FECDLP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000743870952 673774489 /nfs/dbraw/zinc/77/44/89/673774489.db2.gz JCCKGYTWKUUWLW-HNNXBMFYSA-N 2 2 357.292 2.433 20 10 FECDLP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH+]1CCCC1 ZINC000743870952 673774491 /nfs/dbraw/zinc/77/44/91/673774491.db2.gz JCCKGYTWKUUWLW-HNNXBMFYSA-N 2 2 357.292 2.433 20 10 FECDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1Cl ZINC000825185304 675640539 /nfs/dbraw/zinc/64/05/39/675640539.db2.gz MESFXEBFRNCYPY-MRXNPFEDSA-N 2 2 353.894 2.386 20 10 FECDLP C[C@H](C[NH2+]Cc1ccc(Br)cc1O)CN1CC[NH+](C)CC1 ZINC000825247741 675643487 /nfs/dbraw/zinc/64/34/87/675643487.db2.gz WLWLQPLDBODAEZ-CYBMUJFWSA-N 2 2 356.308 2.128 20 10 FECDLP COC[C@]1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CCC[NH2+]1 ZINC000841067280 680861684 /nfs/dbraw/zinc/86/16/84/680861684.db2.gz MQRLNMPIJPRHSL-OAHLLOKOSA-N 2 2 359.264 2.022 20 10 FECDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506530 681311660 /nfs/dbraw/zinc/31/16/60/681311660.db2.gz AKIIADXXDPLIIY-FUHWJXTLSA-N 2 2 367.921 2.493 20 10 FECDLP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000926966627 683190427 /nfs/dbraw/zinc/19/04/27/683190427.db2.gz XOWAREJOVVUUPC-RDJZCZTQSA-N 2 2 353.482 2.280 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916988 542789156 /nfs/dbraw/zinc/78/91/56/542789156.db2.gz IGOZPSNINZDUFR-WMQCIHAUSA-N 2 2 359.514 2.427 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916988 542789159 /nfs/dbraw/zinc/78/91/59/542789159.db2.gz IGOZPSNINZDUFR-WMQCIHAUSA-N 2 2 359.514 2.427 20 10 FECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367777 550495886 /nfs/dbraw/zinc/49/58/86/550495886.db2.gz BWJJOWZITNMJBJ-RISCZKNCSA-N 2 2 370.291 2.145 20 10 FECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Br)ccc1O ZINC000273367777 550495887 /nfs/dbraw/zinc/49/58/87/550495887.db2.gz BWJJOWZITNMJBJ-RISCZKNCSA-N 2 2 370.291 2.145 20 10 FECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1O ZINC000275313831 550571386 /nfs/dbraw/zinc/57/13/86/550571386.db2.gz JSWZOOOMUTYDAW-JSGCOSHPSA-N 2 2 356.308 2.360 20 10 FECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1O ZINC000275313831 550571388 /nfs/dbraw/zinc/57/13/88/550571388.db2.gz JSWZOOOMUTYDAW-JSGCOSHPSA-N 2 2 356.308 2.360 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601484 /nfs/dbraw/zinc/60/14/84/555601484.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601485 /nfs/dbraw/zinc/60/14/85/555601485.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601486 /nfs/dbraw/zinc/60/14/86/555601486.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 2 2 370.541 2.127 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365533971 555601488 /nfs/dbraw/zinc/60/14/88/555601488.db2.gz DIXYUGKGPOHGGC-HLAWJBBLSA-N 2 2 370.541 2.127 20 10 FECDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761671 675620623 /nfs/dbraw/zinc/62/06/23/675620623.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(Br)cc3O)CC2)C1 ZINC000824761671 675620625 /nfs/dbraw/zinc/62/06/25/675620625.db2.gz ILMCAJQSIAYTPF-INIZCTEOSA-N 2 2 368.319 2.367 20 10 FECDLP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(F)c2O)(N2CCOCC2)CC1 ZINC000840954191 680856762 /nfs/dbraw/zinc/85/67/62/680856762.db2.gz AABGYKRNVZFGMY-UHFFFAOYSA-N 2 2 371.884 2.071 20 10 FECDLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591222 681400541 /nfs/dbraw/zinc/40/05/41/681400541.db2.gz SCIJPPUUJXUEKD-YOEHRIQHSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591222 681400544 /nfs/dbraw/zinc/40/05/44/681400544.db2.gz SCIJPPUUJXUEKD-YOEHRIQHSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591222 681400548 /nfs/dbraw/zinc/40/05/48/681400548.db2.gz SCIJPPUUJXUEKD-YOEHRIQHSA-N 2 2 365.905 2.468 20 10 FECDLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591222 681400550 /nfs/dbraw/zinc/40/05/50/681400550.db2.gz SCIJPPUUJXUEKD-YOEHRIQHSA-N 2 2 365.905 2.468 20 10 FECDLP C[NH+]1CCN(CCC[NH2+]Cc2cc(Br)cc(F)c2O)CC1 ZINC000882880668 687520785 /nfs/dbraw/zinc/52/07/85/687520785.db2.gz DGUIUYIKFCVICO-UHFFFAOYSA-N 2 2 360.271 2.021 20 10 FECDLP Oc1ccc(Br)cc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974038 690990915 /nfs/dbraw/zinc/99/09/15/690990915.db2.gz KELMBVYGRRSETP-AWEZNQCLSA-N 2 2 355.276 2.403 20 10 FECDLP CCn1cc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cn1 ZINC000112095731 543430612 /nfs/dbraw/zinc/43/06/12/543430612.db2.gz KSZNNMPPZFSOSO-UHFFFAOYSA-N 2 2 357.502 2.214 20 10 FECDLP C[NH+]1CCN(CCCC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858096780 682933908 /nfs/dbraw/zinc/93/39/08/682933908.db2.gz OLPQBEDHEGIQOH-UHFFFAOYSA-N 2 2 356.308 2.272 20 10 FECDLP COc1c(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645088 683756395 /nfs/dbraw/zinc/75/63/95/683756395.db2.gz AXANTGZNGTUDNC-QWRGUYRKSA-N 2 2 363.336 2.268 20 10 FECDLP COc1c(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000863645088 683756399 /nfs/dbraw/zinc/75/63/99/683756399.db2.gz AXANTGZNGTUDNC-QWRGUYRKSA-N 2 2 363.336 2.268 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916986 542789414 /nfs/dbraw/zinc/78/94/14/542789414.db2.gz IGOZPSNINZDUFR-IOMROCGXSA-N 2 2 359.514 2.427 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(N2CCOCC2)cc1 ZINC000090916986 542789417 /nfs/dbraw/zinc/78/94/17/542789417.db2.gz IGOZPSNINZDUFR-IOMROCGXSA-N 2 2 359.514 2.427 20 10 FECDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000093142553 542912926 /nfs/dbraw/zinc/91/29/26/542912926.db2.gz IRACXFBNXZJIEH-UHFFFAOYSA-N 2 2 365.905 2.422 20 10 FECDLP Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663790 542937478 /nfs/dbraw/zinc/93/74/78/542937478.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 2 2 355.276 2.309 20 10 FECDLP Oc1ccc(Br)cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093663790 542937481 /nfs/dbraw/zinc/93/74/81/542937481.db2.gz QKDXXKVRVJDFFW-CYBMUJFWSA-N 2 2 355.276 2.309 20 10 FECDLP COc1ccc(O)c([C@@H](C)[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000184980894 547911186 /nfs/dbraw/zinc/91/11/86/547911186.db2.gz FRNAQHGUMJQJOO-MRXNPFEDSA-N 2 2 371.485 2.054 20 10 FECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccnn3C)CC2)cc1 ZINC000192619176 548367059 /nfs/dbraw/zinc/36/70/59/548367059.db2.gz DGODRJXIYPWDRZ-KRWDZBQOSA-N 2 2 357.502 2.292 20 10 FECDLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363730870 555173617 /nfs/dbraw/zinc/17/36/17/555173617.db2.gz ROMPNWKOTJKYON-MRXNPFEDSA-N 2 2 362.861 2.413 20 10 FECDLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363730870 555173619 /nfs/dbraw/zinc/17/36/19/555173619.db2.gz ROMPNWKOTJKYON-MRXNPFEDSA-N 2 2 362.861 2.413 20 10 FECDLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591208 681400403 /nfs/dbraw/zinc/40/04/03/681400403.db2.gz RSRSLFFPHQDIFU-MRXNPFEDSA-N 2 2 365.905 2.468 20 10 FECDLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000847591208 681400405 /nfs/dbraw/zinc/40/04/05/681400405.db2.gz RSRSLFFPHQDIFU-MRXNPFEDSA-N 2 2 365.905 2.468 20 10 FECDLP Oc1cccc(Br)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000858194472 682943182 /nfs/dbraw/zinc/94/31/82/682943182.db2.gz GNEAJFOMAKJISY-ZDUSSCGKSA-N 2 2 355.276 2.498 20 10 FECDLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)c(F)cc1O ZINC000925813770 683040248 /nfs/dbraw/zinc/04/02/48/683040248.db2.gz YKDFHXDYZBNVKT-SNVBAGLBSA-N 2 2 360.271 2.368 20 10 FECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC000879592989 686865680 /nfs/dbraw/zinc/86/56/80/686865680.db2.gz SDHUJCQXMVQWCR-UHFFFAOYSA-N 2 2 365.905 2.460 20 10 FECDLP C[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000883369964 687616289 /nfs/dbraw/zinc/61/62/89/687616289.db2.gz DEWOEGCJJFLHKY-RDJZCZTQSA-N 2 2 367.921 2.493 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123814085 543784857 /nfs/dbraw/zinc/78/48/57/543784857.db2.gz YVJGRYHPZGDSJC-GOSISDBHSA-N 2 2 369.513 2.057 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123814085 543784862 /nfs/dbraw/zinc/78/48/62/543784862.db2.gz YVJGRYHPZGDSJC-GOSISDBHSA-N 2 2 369.513 2.057 20 10 FECDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000153342522 544763368 /nfs/dbraw/zinc/76/33/68/544763368.db2.gz KEEBNZICYCXVKX-DLBZAZTESA-N 2 2 365.493 2.281 20 10 FECDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426203 /nfs/dbraw/zinc/42/62/03/546426203.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426207 /nfs/dbraw/zinc/42/62/07/546426207.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426209 /nfs/dbraw/zinc/42/62/09/546426209.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426213 /nfs/dbraw/zinc/42/62/13/546426213.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 2 360.546 2.375 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1O ZINC000182894671 547567719 /nfs/dbraw/zinc/56/77/19/547567719.db2.gz PGMNWRRVHLAALR-SFHVURJKSA-N 2 2 363.477 2.336 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1O ZINC000182894671 547567727 /nfs/dbraw/zinc/56/77/27/547567727.db2.gz PGMNWRRVHLAALR-SFHVURJKSA-N 2 2 363.477 2.336 20 10 FECDLP COc1ccc(O)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190313835 548322560 /nfs/dbraw/zinc/32/25/60/548322560.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190313835 548322563 /nfs/dbraw/zinc/32/25/63/548322563.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190313835 548322566 /nfs/dbraw/zinc/32/25/66/548322566.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 2 356.466 2.470 20 10 FECDLP COc1ccc(O)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190313835 548322571 /nfs/dbraw/zinc/32/25/71/548322571.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 2 356.466 2.470 20 10 FECDLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363730868 555173569 /nfs/dbraw/zinc/17/35/69/555173569.db2.gz ROMPNWKOTJKYON-INIZCTEOSA-N 2 2 362.861 2.413 20 10 FECDLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000363730868 555173571 /nfs/dbraw/zinc/17/35/71/555173571.db2.gz ROMPNWKOTJKYON-INIZCTEOSA-N 2 2 362.861 2.413 20 10 FECDLP Cc1c2ccccc2n(C)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000472121096 561018673 /nfs/dbraw/zinc/01/86/73/561018673.db2.gz YJGGYGAKYQTXRO-UHFFFAOYSA-N 2 2 371.529 2.312 20 10 FECDLP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1)[C@@H]1CCC[NH2+]1 ZINC000843057554 680985010 /nfs/dbraw/zinc/98/50/10/680985010.db2.gz JYYILFANXVILJD-WBMJQRKESA-N 2 2 369.868 2.265 20 10 FECDLP Cc1cc(O)c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Cl)c1 ZINC000883371481 687616439 /nfs/dbraw/zinc/61/64/39/687616439.db2.gz MDPDUSDKLBMELL-INIZCTEOSA-N 2 2 367.921 2.240 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000273595141 550504550 /nfs/dbraw/zinc/50/45/50/550504550.db2.gz QJCNTTLUMFTZNO-HNNXBMFYSA-N 2 2 363.502 2.103 20 10 FECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000273595141 550504551 /nfs/dbraw/zinc/50/45/51/550504551.db2.gz QJCNTTLUMFTZNO-HNNXBMFYSA-N 2 2 363.502 2.103 20 10 FECDLP CC[C@@H](c1ccccc1O)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000368037575 556200597 /nfs/dbraw/zinc/20/05/97/556200597.db2.gz NASYVURSRAFMNG-RDJZCZTQSA-N 2 2 352.500 2.084 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405413 556298254 /nfs/dbraw/zinc/29/82/54/556298254.db2.gz YPORTJJWGUCAFB-VLIAUNLRSA-N 2 2 374.485 2.316 20 10 FECDLP COc1cc(O)c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1OC ZINC000368405413 556298259 /nfs/dbraw/zinc/29/82/59/556298259.db2.gz YPORTJJWGUCAFB-VLIAUNLRSA-N 2 2 374.485 2.316 20 10 FECDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982244 675188947 /nfs/dbraw/zinc/18/89/47/675188947.db2.gz PTAGCWCXRXCFBM-GOEBONIOSA-N 2 2 353.894 2.206 20 10 FECDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985633 681096684 /nfs/dbraw/zinc/09/66/84/681096684.db2.gz RBCBRVYBMWMKPE-OAHLLOKOSA-N 2 2 366.893 2.013 20 10 FECDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)ccc3O)C2)CC1 ZINC000844985633 681096687 /nfs/dbraw/zinc/09/66/87/681096687.db2.gz RBCBRVYBMWMKPE-OAHLLOKOSA-N 2 2 366.893 2.013 20 10 FECDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)ccc1O ZINC000775506532 681311935 /nfs/dbraw/zinc/31/19/35/681311935.db2.gz AKIIADXXDPLIIY-WMZOPIPTSA-N 2 2 367.921 2.493 20 10 FECDLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000854230638 682526943 /nfs/dbraw/zinc/52/69/43/682526943.db2.gz ATWZPMMMGBICFS-GFCCVEGCSA-N 2 2 355.429 2.312 20 10 FECDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226764 685099932 /nfs/dbraw/zinc/09/99/32/685099932.db2.gz ATBSAJOEXYBTIE-KGLIPLIRSA-N 2 2 361.383 2.231 20 10 FECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(F)(F)F ZINC000873226764 685099939 /nfs/dbraw/zinc/09/99/39/685099939.db2.gz ATBSAJOEXYBTIE-KGLIPLIRSA-N 2 2 361.383 2.231 20 10 FECDLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800799 541629596 /nfs/dbraw/zinc/62/95/96/541629596.db2.gz WQXXNFPCLGENHH-UKRRQHHQSA-N 2 2 356.308 2.441 20 10 FECDLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000068800799 541629598 /nfs/dbraw/zinc/62/95/98/541629598.db2.gz WQXXNFPCLGENHH-UKRRQHHQSA-N 2 2 356.308 2.441 20 10 FECDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000185207836 547952026 /nfs/dbraw/zinc/95/20/26/547952026.db2.gz SSTBOYJXIUFVSP-SFHVURJKSA-N 2 2 355.486 2.435 20 10 FECDLP COc1ccc([NH+]2CCC(Nc3cc(-n4cccn4)nc(N)[nH+]3)CC2)cc1 ZINC000301630066 553667158 /nfs/dbraw/zinc/66/71/58/553667158.db2.gz IKKUBRRLRPUZEW-UHFFFAOYSA-N 2 2 365.441 2.334 20 10 FECDLP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)Cc1cc(Cl)ccc1O ZINC000846824178 681295372 /nfs/dbraw/zinc/29/53/72/681295372.db2.gz JPYAUNMKWHLMGN-UHFFFAOYSA-N 2 2 351.834 2.387 20 10 FECDLP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1cc(Cl)ccc1O ZINC000846824178 681295377 /nfs/dbraw/zinc/29/53/77/681295377.db2.gz JPYAUNMKWHLMGN-UHFFFAOYSA-N 2 2 351.834 2.387 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000171942254 546230499 /nfs/dbraw/zinc/23/04/99/546230499.db2.gz JFBBZNVLCQEIJT-UHFFFAOYSA-N 2 2 355.486 2.245 20 10 FECDLP CCCN(Cc1ccccc1O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179306830 546928413 /nfs/dbraw/zinc/92/84/13/546928413.db2.gz DSOUTEXQXWODBN-UHFFFAOYSA-N 2 2 362.518 2.340 20 10 FECDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294175154 552887901 /nfs/dbraw/zinc/88/79/01/552887901.db2.gz JIGCWTAGQIZIGL-OAHLLOKOSA-N 2 2 357.857 2.217 20 10 FECDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294175154 552887902 /nfs/dbraw/zinc/88/79/02/552887902.db2.gz JIGCWTAGQIZIGL-OAHLLOKOSA-N 2 2 357.857 2.217 20 10 FECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nccnc3OC)cc2F)CC1 ZINC000295184107 552967428 /nfs/dbraw/zinc/96/74/28/552967428.db2.gz NDJVAGXEONJKAU-UHFFFAOYSA-N 2 2 359.449 2.056 20 10 FECDLP COc1c(O)c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)ccc1[N+](=O)[O-] ZINC000365819676 555674835 /nfs/dbraw/zinc/67/48/35/555674835.db2.gz KBIYUXNHYGZJGT-UHFFFAOYSA-N 2 2 355.354 2.180 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373108028 557630397 /nfs/dbraw/zinc/63/03/97/557630397.db2.gz ZDYCXIYGOUGLQS-SFHVURJKSA-N 2 2 369.513 2.324 20 10 FECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373108028 557630399 /nfs/dbraw/zinc/63/03/99/557630399.db2.gz ZDYCXIYGOUGLQS-SFHVURJKSA-N 2 2 369.513 2.324 20 10 FECDLP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)c(F)cc1O ZINC000817934812 675187179 /nfs/dbraw/zinc/18/71/79/675187179.db2.gz CZBRMMARYCYVRU-NSHDSACASA-N 2 2 360.271 2.240 20 10 FECDLP Cc1cc(O)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000825903502 675673778 /nfs/dbraw/zinc/67/37/78/675673778.db2.gz JFCFWPFYBCOBPO-UHFFFAOYSA-N 2 2 365.905 2.340 20 10 FECDLP Oc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827549242 675764238 /nfs/dbraw/zinc/76/42/38/675764238.db2.gz FNTQTFQTZHOVIW-OAHLLOKOSA-N 2 2 355.276 2.498 20 10 FECDLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(Br)c1O)CCO2 ZINC000843432523 681003900 /nfs/dbraw/zinc/00/39/00/681003900.db2.gz XYLAIIYGMROBNV-UHFFFAOYSA-N 2 2 355.276 2.451 20 10 FECDLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(Br)c1O)CCO2 ZINC000843432523 681003901 /nfs/dbraw/zinc/00/39/01/681003901.db2.gz XYLAIIYGMROBNV-UHFFFAOYSA-N 2 2 355.276 2.451 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358419 545732592 /nfs/dbraw/zinc/73/25/92/545732592.db2.gz REDIURUOCRORBP-HXUWFJFHSA-N 2 2 358.530 2.319 20 10 FECDLP CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157358419 545732600 /nfs/dbraw/zinc/73/26/00/545732600.db2.gz REDIURUOCRORBP-HXUWFJFHSA-N 2 2 358.530 2.319 20 10 FECDLP COc1c(O)c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000278614169 550804625 /nfs/dbraw/zinc/80/46/25/550804625.db2.gz FCAHZEFEJWAPPP-UHFFFAOYSA-N 2 2 372.425 2.458 20 10 FECDLP CC[NH+]1CCN(c2ccc(CNC(=O)C=Cc3c[nH]c[nH+]3)cc2F)CC1 ZINC000283656713 551404426 /nfs/dbraw/zinc/40/44/26/551404426.db2.gz DLRRKGTVAKRYKQ-GQCTYLIASA-N 2 2 357.433 2.020 20 10 FECDLP COC1CCN(c2ccc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)cc2)CC1 ZINC000294889972 552941629 /nfs/dbraw/zinc/94/16/29/552941629.db2.gz GBFIOWSTHKRIOB-UHFFFAOYSA-N 2 2 369.513 2.358 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000360688191 554885160 /nfs/dbraw/zinc/88/51/60/554885160.db2.gz AOXXXRADGYEOMG-LIRRHRJNSA-N 2 2 363.477 2.192 20 10 FECDLP CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000360688191 554885161 /nfs/dbraw/zinc/88/51/61/554885161.db2.gz AOXXXRADGYEOMG-LIRRHRJNSA-N 2 2 363.477 2.192 20 10 FECDLP COc1c(O)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000364759817 555395537 /nfs/dbraw/zinc/39/55/37/555395537.db2.gz NYKSBNQWQJYMBV-UHFFFAOYSA-N 2 2 360.414 2.497 20 10 FECDLP Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1O ZINC000808694919 674468897 /nfs/dbraw/zinc/46/88/97/674468897.db2.gz CHJNURWWWOANFT-RDJZCZTQSA-N 2 2 367.921 2.411 20 10 FECDLP COC[C@]1(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CCC[NH2+]1 ZINC000817974386 675188678 /nfs/dbraw/zinc/18/86/78/675188678.db2.gz LCGRSIHQLWSVFK-DNVCBOLYSA-N 2 2 351.466 2.082 20 10 FECDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(N2CCOCC2)cc1Cl ZINC000817982245 675189026 /nfs/dbraw/zinc/18/90/26/675189026.db2.gz PTAGCWCXRXCFBM-HOCLYGCPSA-N 2 2 353.894 2.206 20 10 FECDLP COc1cc(O)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000848930918 681643804 /nfs/dbraw/zinc/64/38/04/681643804.db2.gz YTTUMFVKBBZGNK-INIZCTEOSA-N 2 2 350.459 2.096 20 10 FECDLP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OC ZINC000848930918 681643810 /nfs/dbraw/zinc/64/38/10/681643810.db2.gz YTTUMFVKBBZGNK-INIZCTEOSA-N 2 2 350.459 2.096 20 10 FECDLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000863540817 683740369 /nfs/dbraw/zinc/74/03/69/683740369.db2.gz HZRDFYMQXLGRGG-CQSZACIVSA-N 2 2 353.894 2.335 20 10 FECDLP