smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](O)C[NH+]1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000106395119 700508168 /nfs/dbraw/zinc/50/81/68/700508168.db2.gz YAALUKZXPQQSQE-GFCCVEGCSA-N 1 2 352.887 3.083 10 0 FGAELO Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3COc4ccccc43)cn2c1 ZINC000195112893 713545563 /nfs/dbraw/zinc/54/55/63/713545563.db2.gz NCQGVJHNGCKOCD-INIZCTEOSA-N 1 2 353.447 3.126 10 0 FGAELO C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)C(=O)NC[C@H]1CCCO1 ZINC000246044754 713616130 /nfs/dbraw/zinc/61/61/30/713616130.db2.gz OOCBDBFYCXNIKF-GARJFASQSA-N 1 2 363.260 3.467 10 0 FGAELO Cc1ccc(C[NH+]2CCC[C@@H]([N@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000263511835 713747865 /nfs/dbraw/zinc/74/78/65/713747865.db2.gz NOOBCSRJEIIJBZ-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1ccc(C[NH+]2CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC2)cc1Br ZINC000263511835 713747868 /nfs/dbraw/zinc/74/78/68/713747868.db2.gz NOOBCSRJEIIJBZ-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)cc1Br ZINC000263511835 713747872 /nfs/dbraw/zinc/74/78/72/713747872.db2.gz NOOBCSRJEIIJBZ-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)CC(=O)[O-])CC2)cc1Br ZINC000263511835 713747875 /nfs/dbraw/zinc/74/78/75/713747875.db2.gz NOOBCSRJEIIJBZ-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO CC(C)=CC[N@H+]1Cc2c3c(ccc2Br)[nH]c(=O)n3C[C@@H]1C ZINC000006495323 204251046 /nfs/dbraw/zinc/25/10/46/204251046.db2.gz ITKJFOOGOHTXFJ-NSHDSACASA-N 1 2 350.260 3.262 10 0 FGAELO CC(C)=CC[N@@H+]1Cc2c3c(ccc2Br)[nH]c(=O)n3C[C@@H]1C ZINC000006495323 204251047 /nfs/dbraw/zinc/25/10/47/204251047.db2.gz ITKJFOOGOHTXFJ-NSHDSACASA-N 1 2 350.260 3.262 10 0 FGAELO CCOC(=O)Cn1c(CCCCCNC(=O)C(C)(C)C)[nH+]c2ccccc21 ZINC000040212031 205063384 /nfs/dbraw/zinc/06/33/84/205063384.db2.gz RQFZXOVKYGRTMY-UHFFFAOYSA-N 1 2 373.497 3.475 10 0 FGAELO CC(C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2[nH+]c1CCCO ZINC000040225460 205063484 /nfs/dbraw/zinc/06/34/84/205063484.db2.gz RSOXGHMKKWFNHE-UHFFFAOYSA-N 1 2 365.477 3.398 10 0 FGAELO C[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)[NH+]1CCOCC1 ZINC000046268960 257341922 /nfs/dbraw/zinc/34/19/22/257341922.db2.gz WVZFTDHBEJHEJF-AWEZNQCLSA-N 1 2 366.552 3.006 10 0 FGAELO Cc1nc(N(Cc2ccccc2)CC2(O)CCOCC2)c2c([nH+]1)CCCC2 ZINC000302116259 257384125 /nfs/dbraw/zinc/38/41/25/257384125.db2.gz WEQKLWLMSHGNPL-UHFFFAOYSA-N 1 2 367.493 3.212 10 0 FGAELO Cc1ccccc1Nc1[nH+]cnc(N2CCN(c3ccccc3)CC2)c1N ZINC000040727023 136120327 /nfs/dbraw/zinc/12/03/27/136120327.db2.gz SAXWSNUCHIDXPM-UHFFFAOYSA-N 1 2 360.465 3.437 10 0 FGAELO O=C(c1cccc(-c2ccc(N3CCOCC3)[nH+]c2)c1)N1CCCCC1 ZINC000064757236 136133690 /nfs/dbraw/zinc/13/36/90/136133690.db2.gz AWEYWDYGEWNCLR-UHFFFAOYSA-N 1 2 351.450 3.211 10 0 FGAELO C[C@@H](NC(=O)NC[C@@](C)(O)c1ccsc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076470687 493898576 /nfs/dbraw/zinc/89/85/76/493898576.db2.gz XITMRGMFCZABFM-AUUYWEPGSA-N 1 2 370.478 3.202 10 0 FGAELO Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000076661953 493946092 /nfs/dbraw/zinc/94/60/92/493946092.db2.gz BWEHLDSKPYHKCL-CQSZACIVSA-N 1 2 366.396 3.136 10 0 FGAELO C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000046262365 494510386 /nfs/dbraw/zinc/51/03/86/494510386.db2.gz XQEKRGCZXQSBMB-QWHCGFSZSA-N 1 2 374.312 3.417 10 0 FGAELO CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000056863664 494579150 /nfs/dbraw/zinc/57/91/50/494579150.db2.gz ISXXDVZMNQDKFE-CYBMUJFWSA-N 1 2 374.312 3.246 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H](C)CCCC(C)C)CC1 ZINC000115648524 494581456 /nfs/dbraw/zinc/58/14/56/494581456.db2.gz VDDKYEODGOOUAV-INIZCTEOSA-N 1 2 363.550 3.079 10 0 FGAELO COc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000092790351 494749590 /nfs/dbraw/zinc/74/95/90/494749590.db2.gz RAMQJESBTHDACD-QGZVFWFLSA-N 1 2 370.478 3.424 10 0 FGAELO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000092790351 494749595 /nfs/dbraw/zinc/74/95/95/494749595.db2.gz RAMQJESBTHDACD-QGZVFWFLSA-N 1 2 370.478 3.424 10 0 FGAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccco1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000116298769 494756379 /nfs/dbraw/zinc/75/63/79/494756379.db2.gz AXSPFSTVSFRWJT-MRXNPFEDSA-N 1 2 371.828 3.289 10 0 FGAELO O=C(C[N@H+]1CCC[C@@H]1c1ccco1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000116298769 494756390 /nfs/dbraw/zinc/75/63/90/494756390.db2.gz AXSPFSTVSFRWJT-MRXNPFEDSA-N 1 2 371.828 3.289 10 0 FGAELO COCCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000092812262 494758122 /nfs/dbraw/zinc/75/81/22/494758122.db2.gz KKSODCXCVXZUKS-IBGZPJMESA-N 1 2 370.497 3.367 10 0 FGAELO COCCOc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000092812262 494758131 /nfs/dbraw/zinc/75/81/31/494758131.db2.gz KKSODCXCVXZUKS-IBGZPJMESA-N 1 2 370.497 3.367 10 0 FGAELO CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812374 494758734 /nfs/dbraw/zinc/75/87/34/494758734.db2.gz UIRSZOBXCGNSCF-SFHVURJKSA-N 1 2 356.518 3.200 10 0 FGAELO CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812374 494758743 /nfs/dbraw/zinc/75/87/43/494758743.db2.gz UIRSZOBXCGNSCF-SFHVURJKSA-N 1 2 356.518 3.200 10 0 FGAELO COc1ccc(OC)c2c1C[N@H+](Cc1ccc3ccccc3n1)C[C@@H]2O ZINC000121531083 494793428 /nfs/dbraw/zinc/79/34/28/494793428.db2.gz DKZAHCQACUDDNM-SFHVURJKSA-N 1 2 350.418 3.301 10 0 FGAELO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc3ccccc3n1)C[C@@H]2O ZINC000121531083 494793432 /nfs/dbraw/zinc/79/34/32/494793432.db2.gz DKZAHCQACUDDNM-SFHVURJKSA-N 1 2 350.418 3.301 10 0 FGAELO C[C@H](NC(=O)c1cccc(OCC(F)F)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000126646805 494808993 /nfs/dbraw/zinc/80/89/93/494808993.db2.gz CQPPGEQKIVBIGG-ZDUSSCGKSA-N 1 2 372.375 3.402 10 0 FGAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083425 494828768 /nfs/dbraw/zinc/82/87/68/494828768.db2.gz VITADLJWRYNORH-JKSUJKDBSA-N 1 2 357.404 3.380 10 0 FGAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083422 494828976 /nfs/dbraw/zinc/82/89/76/494828976.db2.gz VITADLJWRYNORH-HOTGVXAUSA-N 1 2 357.404 3.380 10 0 FGAELO COc1cc(C[NH+]2CCN(Cc3c(C)nn(C)c3C)CC2)ccc1SC ZINC000109329061 494860864 /nfs/dbraw/zinc/86/08/64/494860864.db2.gz CDKUYDBXSFINHO-UHFFFAOYSA-N 1 2 374.554 3.085 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)Cc3cc(C)ccc3C)CC2)cs1 ZINC000109650666 494900957 /nfs/dbraw/zinc/90/09/57/494900957.db2.gz HRWHYWBBTHCUJN-UHFFFAOYSA-N 1 2 357.523 3.345 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)Cc3cc(C)ccc3C)CC2)cs1 ZINC000109650666 494900962 /nfs/dbraw/zinc/90/09/62/494900962.db2.gz HRWHYWBBTHCUJN-UHFFFAOYSA-N 1 2 357.523 3.345 10 0 FGAELO COc1ccccc1CCC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000109650343 494901149 /nfs/dbraw/zinc/90/11/49/494901149.db2.gz VFDUUBKMBZTUMH-UHFFFAOYSA-N 1 2 373.522 3.127 10 0 FGAELO COc1ccccc1CCC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000109650343 494901152 /nfs/dbraw/zinc/90/11/52/494901152.db2.gz VFDUUBKMBZTUMH-UHFFFAOYSA-N 1 2 373.522 3.127 10 0 FGAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cc(C)ccc3F)CC2)cn1 ZINC000109664269 494903770 /nfs/dbraw/zinc/90/37/70/494903770.db2.gz RGSXZCZAYCFEOL-UHFFFAOYSA-N 1 2 358.461 3.089 10 0 FGAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cc(C)ccc3F)CC2)cn1 ZINC000109664269 494903774 /nfs/dbraw/zinc/90/37/74/494903774.db2.gz RGSXZCZAYCFEOL-UHFFFAOYSA-N 1 2 358.461 3.089 10 0 FGAELO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000122183993 494936689 /nfs/dbraw/zinc/93/66/89/494936689.db2.gz KXORCUUBNJVCCP-CVEARBPZSA-N 1 2 361.536 3.269 10 0 FGAELO COCCOc1ccc(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)cc1 ZINC000110203174 494957683 /nfs/dbraw/zinc/95/76/83/494957683.db2.gz WMYOFFRKMUBPHH-MRXNPFEDSA-N 1 2 356.470 3.350 10 0 FGAELO COCCOc1ccc(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)cc1 ZINC000110203174 494957686 /nfs/dbraw/zinc/95/76/86/494957686.db2.gz WMYOFFRKMUBPHH-MRXNPFEDSA-N 1 2 356.470 3.350 10 0 FGAELO CSc1nccnc1C[N@H+](C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076742 494959126 /nfs/dbraw/zinc/95/91/26/494959126.db2.gz FVZMLFAXCYRICK-CQSZACIVSA-N 1 2 366.531 3.420 10 0 FGAELO CSc1nccnc1C[N@@H+](C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095076742 494959128 /nfs/dbraw/zinc/95/91/28/494959128.db2.gz FVZMLFAXCYRICK-CQSZACIVSA-N 1 2 366.531 3.420 10 0 FGAELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(C)c(Br)c3)CCO2)c1 ZINC000122431644 494973965 /nfs/dbraw/zinc/97/39/65/494973965.db2.gz RQIAAUGVXNUIPR-MRXNPFEDSA-N 1 2 364.287 3.163 10 0 FGAELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(C)c(Br)c3)CCO2)c1 ZINC000122431644 494973967 /nfs/dbraw/zinc/97/39/67/494973967.db2.gz RQIAAUGVXNUIPR-MRXNPFEDSA-N 1 2 364.287 3.163 10 0 FGAELO CCC1(CO)CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000122447808 494976985 /nfs/dbraw/zinc/97/69/85/494976985.db2.gz BGSBFBOHOKVDGI-MRXNPFEDSA-N 1 2 356.470 3.127 10 0 FGAELO O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)N1CCC(n2cc[nH+]c2)CC1 ZINC000122560688 494994667 /nfs/dbraw/zinc/99/46/67/494994667.db2.gz LYGUKBHWQIZOMK-INIZCTEOSA-N 1 2 366.387 3.403 10 0 FGAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000122571204 494996849 /nfs/dbraw/zinc/99/68/49/494996849.db2.gz SXZIDHBGYUVMKH-LJQANCHMSA-N 1 2 355.482 3.114 10 0 FGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CCO2)n1 ZINC000122571204 494996853 /nfs/dbraw/zinc/99/68/53/494996853.db2.gz SXZIDHBGYUVMKH-LJQANCHMSA-N 1 2 355.482 3.114 10 0 FGAELO COc1ccc2oc(C[N@@H+]3CCO[C@H](Cn4nc(C)cc4C)C3)cc2c1 ZINC000122664678 495012394 /nfs/dbraw/zinc/01/23/94/495012394.db2.gz SECFWRVNFQOAFZ-IBGZPJMESA-N 1 2 355.438 3.156 10 0 FGAELO COc1ccc2oc(C[N@H+]3CCO[C@H](Cn4nc(C)cc4C)C3)cc2c1 ZINC000122664678 495012397 /nfs/dbraw/zinc/01/23/97/495012397.db2.gz SECFWRVNFQOAFZ-IBGZPJMESA-N 1 2 355.438 3.156 10 0 FGAELO C[C@@H]1CCc2c(sc3nc(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)nc(N)c23)C1 ZINC000096992570 495018563 /nfs/dbraw/zinc/01/85/63/495018563.db2.gz ANBKYCRGMZEDEE-UPJWGTAASA-N 1 2 360.527 3.050 10 0 FGAELO C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)nc(N)c23)C1 ZINC000096992570 495018565 /nfs/dbraw/zinc/01/85/65/495018565.db2.gz ANBKYCRGMZEDEE-UPJWGTAASA-N 1 2 360.527 3.050 10 0 FGAELO COc1ccccc1[C@H](C)CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000110940908 495022340 /nfs/dbraw/zinc/02/23/40/495022340.db2.gz QXTUICWXWIGERV-OAHLLOKOSA-N 1 2 373.522 3.298 10 0 FGAELO CCOc1ccc(CCC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000110940931 495022511 /nfs/dbraw/zinc/02/25/11/495022511.db2.gz SIUPDMNDFFGJGU-UHFFFAOYSA-N 1 2 373.522 3.127 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)CCc3ccc(C)cc3C)CC2)s1 ZINC000110944963 495023339 /nfs/dbraw/zinc/02/33/39/495023339.db2.gz PIFLPOWIQADLRN-UHFFFAOYSA-N 1 2 357.523 3.345 10 0 FGAELO CCc1csc([C@H]2CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)n1 ZINC000111211574 495048879 /nfs/dbraw/zinc/04/88/79/495048879.db2.gz GNKFIKRDNHFCIG-WCQYABFASA-N 1 2 361.433 3.048 10 0 FGAELO CCc1csc([C@H]2CCC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)n1 ZINC000111211574 495048882 /nfs/dbraw/zinc/04/88/82/495048882.db2.gz GNKFIKRDNHFCIG-WCQYABFASA-N 1 2 361.433 3.048 10 0 FGAELO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3c(C)nn(C)c3C)no2)cc1 ZINC000111229426 495051207 /nfs/dbraw/zinc/05/12/07/495051207.db2.gz QUOWRUBRSQZOBY-KRWDZBQOSA-N 1 2 367.453 3.433 10 0 FGAELO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3c(C)nn(C)c3C)no2)cc1 ZINC000111229426 495051210 /nfs/dbraw/zinc/05/12/10/495051210.db2.gz QUOWRUBRSQZOBY-KRWDZBQOSA-N 1 2 367.453 3.433 10 0 FGAELO CC(C)n1cccc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000123537158 495148562 /nfs/dbraw/zinc/14/85/62/495148562.db2.gz LAQRAADMHOZAAO-QGZVFWFLSA-N 1 2 361.511 3.276 10 0 FGAELO COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112663958 495219316 /nfs/dbraw/zinc/21/93/16/495219316.db2.gz QLOPVSJQPBXJNQ-IRXDYDNUSA-N 1 2 353.466 3.241 10 0 FGAELO COc1cccc([C@H]2C[C@H]2C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112663952 495220010 /nfs/dbraw/zinc/22/00/10/495220010.db2.gz QLOPVSJQPBXJNQ-IAGOWNOFSA-N 1 2 353.466 3.241 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1COc3ccc(Cl)cc3C1)C2 ZINC000112664280 495220064 /nfs/dbraw/zinc/22/00/64/495220064.db2.gz KWAJKAWVWURXCG-CQSZACIVSA-N 1 2 373.884 3.333 10 0 FGAELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000103476982 495240772 /nfs/dbraw/zinc/24/07/72/495240772.db2.gz ABKMJHWDLSDRBG-UONOGXRCSA-N 1 2 361.877 3.158 10 0 FGAELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000103476982 495240775 /nfs/dbraw/zinc/24/07/75/495240775.db2.gz ABKMJHWDLSDRBG-UONOGXRCSA-N 1 2 361.877 3.158 10 0 FGAELO C[N@@H+]1CCO[C@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113336785 495297707 /nfs/dbraw/zinc/29/77/07/495297707.db2.gz MMJDPPXJCCGAOY-OAHLLOKOSA-N 1 2 371.428 3.249 10 0 FGAELO C[N@H+]1CCO[C@H](CNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000113336785 495297711 /nfs/dbraw/zinc/29/77/11/495297711.db2.gz MMJDPPXJCCGAOY-OAHLLOKOSA-N 1 2 371.428 3.249 10 0 FGAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000104797308 495306861 /nfs/dbraw/zinc/30/68/61/495306861.db2.gz CXRHEJXPXMLLDG-FXAWDEMLSA-N 1 2 353.466 3.017 10 0 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/nfs/dbraw/zinc/87/73/07/495877307.db2.gz CRTWETSOUYWZMN-IBGZPJMESA-N 1 2 373.497 3.198 10 0 FGAELO CC(C)c1nc(C2([NH2+]C[C@H](O)COCc3cccs3)CCCC2)no1 ZINC000174243629 495879031 /nfs/dbraw/zinc/87/90/31/495879031.db2.gz BYJZWQFMSGDLTC-AWEZNQCLSA-N 1 2 365.499 3.191 10 0 FGAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC000180155777 495883709 /nfs/dbraw/zinc/88/37/09/495883709.db2.gz DQUKECJBCRVHSK-RISCZKNCSA-N 1 2 374.876 3.150 10 0 FGAELO Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000174287590 495895630 /nfs/dbraw/zinc/89/56/30/495895630.db2.gz IEMVOSLSERHQJI-AWEZNQCLSA-N 1 2 374.466 3.498 10 0 FGAELO Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000174287576 495895750 /nfs/dbraw/zinc/89/57/50/495895750.db2.gz IEMVOSLSERHQJI-CQSZACIVSA-N 1 2 374.466 3.498 10 0 FGAELO CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1Br ZINC000186296245 495933597 /nfs/dbraw/zinc/93/35/97/495933597.db2.gz NZAYQYICFNVJMA-NSHDSACASA-N 1 2 366.259 3.210 10 0 FGAELO CCc1nnc(C[NH2+][C@@H](COc2ccccc2F)c2ccccc2)n1C ZINC000180305942 495943982 /nfs/dbraw/zinc/94/39/82/495943982.db2.gz WUBUYUTUDIHDPK-KRWDZBQOSA-N 1 2 354.429 3.427 10 0 FGAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000171637369 495959114 /nfs/dbraw/zinc/95/91/14/495959114.db2.gz IXTXQIHYGROUOA-OAHLLOKOSA-N 1 2 357.479 3.472 10 0 FGAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000171637369 495959123 /nfs/dbraw/zinc/95/91/23/495959123.db2.gz IXTXQIHYGROUOA-OAHLLOKOSA-N 1 2 357.479 3.472 10 0 FGAELO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644210 495961729 /nfs/dbraw/zinc/96/17/29/495961729.db2.gz DEIRHNRCYKGVRE-UONOGXRCSA-N 1 2 360.408 3.121 10 0 FGAELO C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644210 495961733 /nfs/dbraw/zinc/96/17/33/495961733.db2.gz DEIRHNRCYKGVRE-UONOGXRCSA-N 1 2 360.408 3.121 10 0 FGAELO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000183628572 496054592 /nfs/dbraw/zinc/05/45/92/496054592.db2.gz MYXIEAMCGISENM-VQTJNVASSA-N 1 2 357.498 3.034 10 0 FGAELO O=C(NCc1cccc(Br)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177463109 496070961 /nfs/dbraw/zinc/07/09/61/496070961.db2.gz MTQLZHXOFHGBPR-OAHLLOKOSA-N 1 2 363.259 3.020 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@H](C)C(=O)c1cccc(F)c1)C2 ZINC000174817154 496119648 /nfs/dbraw/zinc/11/96/48/496119648.db2.gz GVPMJJOQNZWEAP-AWEZNQCLSA-N 1 2 371.456 3.476 10 0 FGAELO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(-n2cccn2)c1 ZINC000177584797 496121355 /nfs/dbraw/zinc/12/13/55/496121355.db2.gz ZCYUVFWHKDKJMC-VQIMIIECSA-N 1 2 364.453 3.004 10 0 FGAELO O=C(Cc1ccc(F)c(Br)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177733950 496177373 /nfs/dbraw/zinc/17/73/73/496177373.db2.gz MLGSCKNQNBZRNZ-CYBMUJFWSA-N 1 2 366.234 3.018 10 0 FGAELO Fc1cccc(F)c1-c1nc(C[NH+]2CCC(Nc3cccnn3)CC2)co1 ZINC000152559183 496187604 /nfs/dbraw/zinc/18/76/04/496187604.db2.gz AVKAGFIICJGBLX-UHFFFAOYSA-N 1 2 371.391 3.486 10 0 FGAELO O=C(c1ccc(Br)cc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177769130 496189086 /nfs/dbraw/zinc/18/90/86/496189086.db2.gz WLSVLNQOCNUSOL-GFCCVEGCSA-N 1 2 352.207 3.090 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)Nc2ccc(F)cc2)[NH+]2CCOCC2)s1 ZINC000174983257 496194021 /nfs/dbraw/zinc/19/40/21/496194021.db2.gz YKQZANWDXCVFMF-MRXNPFEDSA-N 1 2 363.458 3.391 10 0 FGAELO CCCC(C)(C)NC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174995990 496199740 /nfs/dbraw/zinc/19/97/40/496199740.db2.gz GENZJYVEFMUJNL-OAHLLOKOSA-N 1 2 353.532 3.308 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2OC)C1 ZINC000186922960 496213154 /nfs/dbraw/zinc/21/31/54/496213154.db2.gz KVWYIFSNVPQRQZ-AWEZNQCLSA-N 1 2 369.303 3.338 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Br)c2OC)C1 ZINC000186922960 496213157 /nfs/dbraw/zinc/21/31/57/496213157.db2.gz KVWYIFSNVPQRQZ-AWEZNQCLSA-N 1 2 369.303 3.338 10 0 FGAELO CC(C)c1cc(Br)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000152810612 496264401 /nfs/dbraw/zinc/26/44/01/496264401.db2.gz UJGKCQOODLKBSC-ZDUSSCGKSA-N 1 2 370.291 3.025 10 0 FGAELO CC(C)c1cc(Br)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000152810612 496264397 /nfs/dbraw/zinc/26/43/97/496264397.db2.gz UJGKCQOODLKBSC-ZDUSSCGKSA-N 1 2 370.291 3.025 10 0 FGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc2[nH]ccc21 ZINC000177968389 496269520 /nfs/dbraw/zinc/26/95/20/496269520.db2.gz ANVRIJDYMVAZHY-SFHVURJKSA-N 1 2 369.490 3.375 10 0 FGAELO C[C@H](NC(=O)Nc1cccc(N(C)C)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000153021711 496328415 /nfs/dbraw/zinc/32/84/15/496328415.db2.gz FYNDZQRBIMTEAP-AWEZNQCLSA-N 1 2 350.426 3.216 10 0 FGAELO Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)n1 ZINC000153165516 496371880 /nfs/dbraw/zinc/37/18/80/496371880.db2.gz PHIAHGHWVBGLNH-CVEARBPZSA-N 1 2 371.510 3.014 10 0 FGAELO O=C(CC1CCC(c2ccccc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172746253 496412715 /nfs/dbraw/zinc/41/27/15/496412715.db2.gz GGHNPOZTDFMJFS-DQVLVPHSSA-N 1 2 356.510 3.284 10 0 FGAELO C[C@@H](Nc1[nH+]cnc2c1cnn2-c1ncccn1)c1ccc(Cl)cc1 ZINC000162907124 496431980 /nfs/dbraw/zinc/43/19/80/496431980.db2.gz IMZNLUOYQGSZIC-LLVKDONJSA-N 1 2 351.801 3.432 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)NCc2ccccc2)c2cccs2)CCO1 ZINC000178427398 496452397 /nfs/dbraw/zinc/45/23/97/496452397.db2.gz MHKFFKLOFLODPF-RDJZCZTQSA-N 1 2 359.495 3.009 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)NCc2ccccc2)c2cccs2)CCO1 ZINC000178427398 496452406 /nfs/dbraw/zinc/45/24/06/496452406.db2.gz MHKFFKLOFLODPF-RDJZCZTQSA-N 1 2 359.495 3.009 10 0 FGAELO Cc1ccc(CNC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000178435406 496454837 /nfs/dbraw/zinc/45/48/37/496454837.db2.gz FINXKYGHJIARHU-SFHVURJKSA-N 1 2 373.522 3.271 10 0 FGAELO Cc1ccc([C@H](CNC(=O)NCc2ccccc2C)[NH+]2CCOCC2)s1 ZINC000178454084 496462687 /nfs/dbraw/zinc/46/26/87/496462687.db2.gz KMQXINIGRJMAHW-SFHVURJKSA-N 1 2 373.522 3.238 10 0 FGAELO CCc1ccc(CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000153468908 496465092 /nfs/dbraw/zinc/46/50/92/496465092.db2.gz ZHOZMZCCBOLIQN-UHFFFAOYSA-N 1 2 354.498 3.416 10 0 FGAELO CCC[C@H]([NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000157465964 496482575 /nfs/dbraw/zinc/48/25/75/496482575.db2.gz VGLDCSONNBYSBE-CJNGLKHVSA-N 1 2 370.515 3.219 10 0 FGAELO COc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)c(Br)c1 ZINC000181869730 496579336 /nfs/dbraw/zinc/57/93/36/496579336.db2.gz PFVLDMAXXHALJD-YGRLFVJLSA-N 1 2 351.248 3.235 10 0 FGAELO CC(=O)N[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164862881 496635450 /nfs/dbraw/zinc/63/54/50/496635450.db2.gz MPHFSZUWKZUIQY-HNNXBMFYSA-N 1 2 367.371 3.461 10 0 FGAELO CC(=O)N[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)C1 ZINC000164862881 496635455 /nfs/dbraw/zinc/63/54/55/496635455.db2.gz MPHFSZUWKZUIQY-HNNXBMFYSA-N 1 2 367.371 3.461 10 0 FGAELO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000167789898 496705754 /nfs/dbraw/zinc/70/57/54/496705754.db2.gz GNUUWAXKIAJSQN-GXTWGEPZSA-N 1 2 360.458 3.052 10 0 FGAELO CSCCCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246992569 496745363 /nfs/dbraw/zinc/74/53/63/496745363.db2.gz QTZBBHBUSOOEBN-LSDHHAIUSA-N 1 2 356.557 3.159 10 0 FGAELO CSCCCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246992569 496745366 /nfs/dbraw/zinc/74/53/66/496745366.db2.gz QTZBBHBUSOOEBN-LSDHHAIUSA-N 1 2 356.557 3.159 10 0 FGAELO C[C@@H](NC(=O)[C@H](C)OC[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000247025813 496757064 /nfs/dbraw/zinc/75/70/64/496757064.db2.gz WQWBEGJXKVNNEA-JTDSTZFVSA-N 1 2 357.454 3.024 10 0 FGAELO CC(C)n1nnnc1C[N@@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191461087 496769988 /nfs/dbraw/zinc/76/99/88/496769988.db2.gz OKGRWGDFIYEKOT-UHFFFAOYSA-N 1 2 364.291 3.429 10 0 FGAELO CC(C)n1nnnc1C[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000191461087 496769995 /nfs/dbraw/zinc/76/99/95/496769995.db2.gz OKGRWGDFIYEKOT-UHFFFAOYSA-N 1 2 364.291 3.429 10 0 FGAELO CO[C@H](C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000247139973 496790663 /nfs/dbraw/zinc/79/06/63/496790663.db2.gz XZEFOHFCZQXCGI-SUMDDJOVSA-N 1 2 374.506 3.014 10 0 FGAELO CO[C@H](C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000247139973 496790666 /nfs/dbraw/zinc/79/06/66/496790666.db2.gz XZEFOHFCZQXCGI-SUMDDJOVSA-N 1 2 374.506 3.014 10 0 FGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cc(F)ccc2F)c2cccs2)CCO1 ZINC000247143232 496791837 /nfs/dbraw/zinc/79/18/37/496791837.db2.gz YDQFJZUEDWJNGB-MLGOLLRUSA-N 1 2 366.433 3.218 10 0 FGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cc(F)ccc2F)c2cccs2)CCO1 ZINC000247143232 496791839 /nfs/dbraw/zinc/79/18/39/496791839.db2.gz YDQFJZUEDWJNGB-MLGOLLRUSA-N 1 2 366.433 3.218 10 0 FGAELO CCc1ccccc1CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000188484757 496805418 /nfs/dbraw/zinc/80/54/18/496805418.db2.gz IAMUZHFWKKQPTL-IBGZPJMESA-N 1 2 372.534 3.351 10 0 FGAELO C[C@@H]1[C@@H]([NH2+][C@H](c2ncc[nH]2)c2cccnc2)CCCN1C(=O)OC(C)(C)C ZINC000195123904 496827731 /nfs/dbraw/zinc/82/77/31/496827731.db2.gz VOTNCNJJRSXZLE-PVAVHDDUSA-N 1 2 371.485 3.272 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)cn1 ZINC000191713794 496863891 /nfs/dbraw/zinc/86/38/91/496863891.db2.gz RHUYFFBOLAIIBQ-INIZCTEOSA-N 1 2 355.360 3.375 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)CCO2)cn1 ZINC000191713794 496863896 /nfs/dbraw/zinc/86/38/96/496863896.db2.gz RHUYFFBOLAIIBQ-INIZCTEOSA-N 1 2 355.360 3.375 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCc3sccc3C2)no1 ZINC000195438910 496921688 /nfs/dbraw/zinc/92/16/88/496921688.db2.gz XSNVGBJVMJKPDX-HNNXBMFYSA-N 1 2 374.510 3.366 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2CCC(=O)N2CCc3sccc3C2)no1 ZINC000195438910 496921691 /nfs/dbraw/zinc/92/16/91/496921691.db2.gz XSNVGBJVMJKPDX-HNNXBMFYSA-N 1 2 374.510 3.366 10 0 FGAELO COC(=O)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC000247971874 496936207 /nfs/dbraw/zinc/93/62/07/496936207.db2.gz FUFPSKONWWKFHB-KDOFPFPSSA-N 1 2 365.351 3.198 10 0 FGAELO COC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c(F)c1 ZINC000247971874 496936209 /nfs/dbraw/zinc/93/62/09/496936209.db2.gz FUFPSKONWWKFHB-KDOFPFPSSA-N 1 2 365.351 3.198 10 0 FGAELO CCn1cc(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cn1 ZINC000195499572 496940436 /nfs/dbraw/zinc/94/04/36/496940436.db2.gz RFEHWALTCSZACB-OAHLLOKOSA-N 1 2 368.481 3.312 10 0 FGAELO COc1ccc([C@H](NC(=O)C[NH+]2CCC(c3ccn[nH]3)CC2)C(C)C)cc1 ZINC000195505387 496944139 /nfs/dbraw/zinc/94/41/39/496944139.db2.gz HZNYWNFSMHFIMP-OAQYLSRUSA-N 1 2 370.497 3.111 10 0 FGAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000195506923 496944289 /nfs/dbraw/zinc/94/42/89/496944289.db2.gz BRFZFBFMNZZZBE-UHFFFAOYSA-N 1 2 352.360 3.247 10 0 FGAELO O[C@@H](C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000195511777 496947522 /nfs/dbraw/zinc/94/75/22/496947522.db2.gz HYVLGAGJUGFJNK-CVEARBPZSA-N 1 2 362.424 3.153 10 0 FGAELO O[C@@H](C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000195511777 496947524 /nfs/dbraw/zinc/94/75/24/496947524.db2.gz HYVLGAGJUGFJNK-CVEARBPZSA-N 1 2 362.424 3.153 10 0 FGAELO CCOCCN1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1CC ZINC000192002002 496959632 /nfs/dbraw/zinc/95/96/32/496959632.db2.gz LILWMMBWONUERF-OAHLLOKOSA-N 1 2 358.885 3.291 10 0 FGAELO CCOCCN1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C[C@H]1CC ZINC000192002002 496959640 /nfs/dbraw/zinc/95/96/40/496959640.db2.gz LILWMMBWONUERF-OAHLLOKOSA-N 1 2 358.885 3.291 10 0 FGAELO FC(F)C(F)(F)COCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000189004852 496975891 /nfs/dbraw/zinc/97/58/91/496975891.db2.gz KNJYAKJAMLIUDR-LBPRGKRZSA-N 1 2 364.387 3.058 10 0 FGAELO FC(F)C(F)(F)COCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000189004852 496975896 /nfs/dbraw/zinc/97/58/96/496975896.db2.gz KNJYAKJAMLIUDR-LBPRGKRZSA-N 1 2 364.387 3.058 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N2CCC[C@@H](C)CC2)c2cccs2)CCO1 ZINC000248327036 496978554 /nfs/dbraw/zinc/97/85/54/496978554.db2.gz CFLZMKMWOGXTGH-IKGGRYGDSA-N 1 2 365.543 3.342 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N2CCC[C@@H](C)CC2)c2cccs2)CCO1 ZINC000248327036 496978561 /nfs/dbraw/zinc/97/85/61/496978561.db2.gz CFLZMKMWOGXTGH-IKGGRYGDSA-N 1 2 365.543 3.342 10 0 FGAELO Cc1ccc([C@H](CNC(=O)N2C[C@H](C)CC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000248332317 496979531 /nfs/dbraw/zinc/97/95/31/496979531.db2.gz FGUUXVZKDNPVHJ-INMHGKMJSA-N 1 2 365.543 3.260 10 0 FGAELO C[C@@H](NC(=O)c1[nH]nnc1-c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189454097 497122508 /nfs/dbraw/zinc/12/25/08/497122508.db2.gz FVHMIUOSWUBNIS-CQSZACIVSA-N 1 2 358.405 3.148 10 0 FGAELO CC(C)(C)c1csc([C@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000248914530 497134188 /nfs/dbraw/zinc/13/41/88/497134188.db2.gz ZFLHHXDPGGQAJG-ZIAGYGMSSA-N 1 2 364.511 3.300 10 0 FGAELO CC(C)(C)c1csc([C@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000248914530 497134193 /nfs/dbraw/zinc/13/41/93/497134193.db2.gz ZFLHHXDPGGQAJG-ZIAGYGMSSA-N 1 2 364.511 3.300 10 0 FGAELO C[C@H]1CCC[C@@H]1CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248993560 497148397 /nfs/dbraw/zinc/14/83/97/497148397.db2.gz LNOVLSIKEQYWLO-YLFCFFPRSA-N 1 2 350.528 3.452 10 0 FGAELO C[C@H]1CCC[C@@H]1CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248993560 497148402 /nfs/dbraw/zinc/14/84/02/497148402.db2.gz LNOVLSIKEQYWLO-YLFCFFPRSA-N 1 2 350.528 3.452 10 0 FGAELO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CCCn3nc(C)nc31)CCC2 ZINC000193016120 497275897 /nfs/dbraw/zinc/27/58/97/497275897.db2.gz YHCDVRUEDBTZLA-KBPBESRZSA-N 1 2 358.442 3.167 10 0 FGAELO Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4COCC[NH2+]4)cc3)sc2c1 ZINC000237833709 497299523 /nfs/dbraw/zinc/29/95/23/497299523.db2.gz YIYWIWJZRKBIDR-MRXNPFEDSA-N 1 2 353.447 3.199 10 0 FGAELO CC[C@H]1c2[nH+]ccn2CCCN1C(=O)c1cc(C)n(CCCOC)c1C ZINC000253406295 497332029 /nfs/dbraw/zinc/33/20/29/497332029.db2.gz IUYOSVMOBGJHAA-SFHVURJKSA-N 1 2 358.486 3.335 10 0 FGAELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245407059 497390799 /nfs/dbraw/zinc/39/07/99/497390799.db2.gz ZJTRTCGQPTVSDS-AQNXPRMDSA-N 1 2 372.509 3.009 10 0 FGAELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245407059 497390802 /nfs/dbraw/zinc/39/08/02/497390802.db2.gz ZJTRTCGQPTVSDS-AQNXPRMDSA-N 1 2 372.509 3.009 10 0 FGAELO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000245759508 497531066 /nfs/dbraw/zinc/53/10/66/497531066.db2.gz IFSGELHMZSVCID-SJORKVTESA-N 1 2 362.836 3.155 10 0 FGAELO Cn1cc([C@H]2CCC[N@H+]2[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000245759508 497531073 /nfs/dbraw/zinc/53/10/73/497531073.db2.gz IFSGELHMZSVCID-SJORKVTESA-N 1 2 362.836 3.155 10 0 FGAELO C[N@@H+]1CCO[C@@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000245988319 497590652 /nfs/dbraw/zinc/59/06/52/497590652.db2.gz QHORWQIPWADQNL-DOTOQJQBSA-N 1 2 365.271 3.052 10 0 FGAELO C[N@H+]1CCO[C@@H](CN[C@@H](c2ccco2)c2ccc(Br)cc2)C1 ZINC000245988319 497590657 /nfs/dbraw/zinc/59/06/57/497590657.db2.gz QHORWQIPWADQNL-DOTOQJQBSA-N 1 2 365.271 3.052 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CCO2)cn1 ZINC000190752659 497593895 /nfs/dbraw/zinc/59/38/95/497593895.db2.gz KGGSIGSQMXOOGR-FQEVSTJZSA-N 1 2 367.449 3.200 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(C)c(C)cc34)CCO2)cn1 ZINC000190752659 497593899 /nfs/dbraw/zinc/59/38/99/497593899.db2.gz KGGSIGSQMXOOGR-FQEVSTJZSA-N 1 2 367.449 3.200 10 0 FGAELO CCn1cnnc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2SC)C1 ZINC000246148609 497638436 /nfs/dbraw/zinc/63/84/36/497638436.db2.gz OZGAROHPIIIZKD-CABCVRRESA-N 1 2 373.526 3.227 10 0 FGAELO CCn1cnnc1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2SC)C1 ZINC000246148609 497638439 /nfs/dbraw/zinc/63/84/39/497638439.db2.gz OZGAROHPIIIZKD-CABCVRRESA-N 1 2 373.526 3.227 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246214471 497663627 /nfs/dbraw/zinc/66/36/27/497663627.db2.gz ZXPYOJZYDFHUQO-RDJZCZTQSA-N 1 2 366.465 3.045 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000246214471 497663633 /nfs/dbraw/zinc/66/36/33/497663633.db2.gz ZXPYOJZYDFHUQO-RDJZCZTQSA-N 1 2 366.465 3.045 10 0 FGAELO Cn1c2ccccc2nc1-c1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263173548 497723868 /nfs/dbraw/zinc/72/38/68/497723868.db2.gz GAPQTANNQCSYNG-HNNXBMFYSA-N 1 2 356.376 3.176 10 0 FGAELO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000263453262 497785331 /nfs/dbraw/zinc/78/53/31/497785331.db2.gz AHIKKOKUTNCOTO-UHFFFAOYSA-N 1 2 357.281 3.411 10 0 FGAELO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc(Cl)cc2Cl)C1 ZINC000263453262 497785334 /nfs/dbraw/zinc/78/53/34/497785334.db2.gz AHIKKOKUTNCOTO-UHFFFAOYSA-N 1 2 357.281 3.411 10 0 FGAELO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c1 ZINC000246791141 497811133 /nfs/dbraw/zinc/81/11/33/497811133.db2.gz ALMNWASKFCEUGX-NSHGMRRFSA-N 1 2 374.525 3.065 10 0 FGAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000246813043 497813126 /nfs/dbraw/zinc/81/31/26/497813126.db2.gz TYAAESRCEISXNT-XLIONFOSSA-N 1 2 355.388 3.458 10 0 FGAELO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000246813043 497813127 /nfs/dbraw/zinc/81/31/27/497813127.db2.gz TYAAESRCEISXNT-XLIONFOSSA-N 1 2 355.388 3.458 10 0 FGAELO c1csc(-c2n[nH]c(CNc3[nH+]cnc4c3cnn4-c3ccccc3)n2)c1 ZINC000301207732 497999548 /nfs/dbraw/zinc/99/95/48/497999548.db2.gz QGMXERIRZPGUOQ-UHFFFAOYSA-N 1 2 374.433 3.274 10 0 FGAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)nc[nH+]2)C1 ZINC000301534600 498152994 /nfs/dbraw/zinc/15/29/94/498152994.db2.gz IPZMOGARKJKARR-PBFDULQYSA-N 1 2 350.532 3.205 10 0 FGAELO CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(N3CCC[C@H](C)C3)[nH+]cn2)C1 ZINC000301534600 498153000 /nfs/dbraw/zinc/15/30/00/498153000.db2.gz IPZMOGARKJKARR-PBFDULQYSA-N 1 2 350.532 3.205 10 0 FGAELO CCc1cnc([C@@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)s1 ZINC000301581071 498172667 /nfs/dbraw/zinc/17/26/67/498172667.db2.gz USNDFONYOFDPEZ-SSDOTTSWSA-N 1 2 367.276 3.318 10 0 FGAELO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)nc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000301689038 498225067 /nfs/dbraw/zinc/22/50/67/498225067.db2.gz XXALDOWKOVKUTI-JKSUJKDBSA-N 1 2 363.469 3.467 10 0 FGAELO C[C@@H](Nc1cc(N2CCC[C@H](C)C2)[nH+]cn1)c1cn(-c2ccccc2)nn1 ZINC000301689038 498225072 /nfs/dbraw/zinc/22/50/72/498225072.db2.gz XXALDOWKOVKUTI-JKSUJKDBSA-N 1 2 363.469 3.467 10 0 FGAELO COc1cccc(-c2noc(NCCc3[nH]c4ccc(F)cc4[nH+]3)n2)c1 ZINC000301737886 498245713 /nfs/dbraw/zinc/24/57/13/498245713.db2.gz VYZAVMDHHNOXHZ-UHFFFAOYSA-N 1 2 353.357 3.415 10 0 FGAELO CNc1c(Cl)ncnc1NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000302215467 498446930 /nfs/dbraw/zinc/44/69/30/498446930.db2.gz HJPHNBRMVNUSJV-VXGBXAGGSA-N 1 2 367.906 3.107 10 0 FGAELO CNc1c(Cl)ncnc1NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000302215467 498446931 /nfs/dbraw/zinc/44/69/31/498446931.db2.gz HJPHNBRMVNUSJV-VXGBXAGGSA-N 1 2 367.906 3.107 10 0 FGAELO Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328657111 498891486 /nfs/dbraw/zinc/89/14/86/498891486.db2.gz ZZTURAAFNCGTLW-APWZRJJASA-N 1 2 355.482 3.174 10 0 FGAELO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328657111 498891494 /nfs/dbraw/zinc/89/14/94/498891494.db2.gz ZZTURAAFNCGTLW-APWZRJJASA-N 1 2 355.482 3.174 10 0 FGAELO C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc(F)c(F)c1 ZINC000376517710 499614851 /nfs/dbraw/zinc/61/48/51/499614851.db2.gz BCAWWUXRLXCIMX-LBPRGKRZSA-N 1 2 357.364 3.106 10 0 FGAELO Nc1ccc([C@H]2c3ccccc3CCN2S(=O)(=O)c2ccccc2)c[nH+]1 ZINC000616680051 520088793 /nfs/dbraw/zinc/08/87/93/520088793.db2.gz GVMOBIZTHDKIHB-FQEVSTJZSA-N 1 2 365.458 3.000 10 0 FGAELO CCOC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000020782720 521604759 /nfs/dbraw/zinc/60/47/59/521604759.db2.gz DHVUKWLDVBVSGU-UHFFFAOYSA-N 1 2 369.465 3.037 10 0 FGAELO CCOC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000020782720 521604763 /nfs/dbraw/zinc/60/47/63/521604763.db2.gz DHVUKWLDVBVSGU-UHFFFAOYSA-N 1 2 369.465 3.037 10 0 FGAELO Cn1c2c(nc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F)CCCC2 ZINC000275934960 527093759 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495936680 /nfs/dbraw/zinc/93/66/80/495936680.db2.gz GGVJTHHRLDIULZ-CVEARBPZSA-N 1 2 363.527 3.096 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCC3(CCC3)C2)c2cccs2)CCO1 ZINC000151752021 495936687 /nfs/dbraw/zinc/93/66/87/495936687.db2.gz GGVJTHHRLDIULZ-CVEARBPZSA-N 1 2 363.527 3.096 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cn1 ZINC000186321360 495946434 /nfs/dbraw/zinc/94/64/34/495946434.db2.gz GNGWEEXDOPDESC-INIZCTEOSA-N 1 2 356.861 3.206 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(Cl)cc3)n2C)cn1 ZINC000186321360 495946438 /nfs/dbraw/zinc/94/64/38/495946438.db2.gz GNGWEEXDOPDESC-INIZCTEOSA-N 1 2 356.861 3.206 10 0 FGAELO O=C(CN1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc(F)cc1Cl ZINC000171647938 495967036 /nfs/dbraw/zinc/96/70/36/495967036.db2.gz IZJNUDUNDBNRKF-CYBMUJFWSA-N 1 2 362.836 3.247 10 0 FGAELO COc1cccc(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174463957 495971482 /nfs/dbraw/zinc/97/14/82/495971482.db2.gz URMILBYCJOQDGQ-OAHLLOKOSA-N 1 2 350.422 3.441 10 0 FGAELO Cc1cc(NC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc[nH+]1 ZINC000183436398 495982647 /nfs/dbraw/zinc/98/26/47/495982647.db2.gz PIBFIUTYCUFGCY-NUEKZKHPSA-N 1 2 360.458 3.157 10 0 FGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000171674952 495984418 /nfs/dbraw/zinc/98/44/18/495984418.db2.gz UYCKJIDYTQLOQB-UHFFFAOYSA-N 1 2 370.858 3.004 10 0 FGAELO COCCn1c(SCc2[nH+]ccn2C(C)C)nnc1-c1ccncc1 ZINC000171677407 495986487 /nfs/dbraw/zinc/98/64/87/495986487.db2.gz GXUBEWMMTHPJRJ-UHFFFAOYSA-N 1 2 358.471 3.056 10 0 FGAELO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCS1 ZINC000171698769 495994657 /nfs/dbraw/zinc/99/46/57/495994657.db2.gz GPGSRPILQBMHAW-SECBINFHSA-N 1 2 350.818 3.317 10 0 FGAELO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCS1 ZINC000171698769 495994661 /nfs/dbraw/zinc/99/46/61/495994661.db2.gz GPGSRPILQBMHAW-SECBINFHSA-N 1 2 350.818 3.317 10 0 FGAELO CC[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000177400681 496047822 /nfs/dbraw/zinc/04/78/22/496047822.db2.gz MSISJKZUMZSAIN-CJNGLKHVSA-N 1 2 358.404 3.036 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)Cc3ccccc3C)CC2)s1 ZINC000171902877 496084945 /nfs/dbraw/zinc/08/49/45/496084945.db2.gz PMTLKYZDKVXXLW-MRXNPFEDSA-N 1 2 372.538 3.218 10 0 FGAELO CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)n2)cc1 ZINC000152488401 496165947 /nfs/dbraw/zinc/16/59/47/496165947.db2.gz VSYRZZNUHPJFTK-GOSISDBHSA-N 1 2 366.421 3.184 10 0 FGAELO CCOc1ccc(-c2noc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)n2)cc1 ZINC000152488401 496165952 /nfs/dbraw/zinc/16/59/52/496165952.db2.gz VSYRZZNUHPJFTK-GOSISDBHSA-N 1 2 366.421 3.184 10 0 FGAELO O=C(c1[nH]c2ccccc2c1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177782731 496194232 /nfs/dbraw/zinc/19/42/32/496194232.db2.gz GLFIVNYWIKHENN-GFCCVEGCSA-N 1 2 373.254 3.432 10 0 FGAELO CCCN(CC1CC1)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174986417 496194958 /nfs/dbraw/zinc/19/49/58/496194958.db2.gz ZEMLJHXISMSEMW-KRWDZBQOSA-N 1 2 365.543 3.261 10 0 FGAELO CCc1nc(C2(NCc3[nH+]ccn3Cc3ccccc3)CCCC2)no1 ZINC000172191908 496202638 /nfs/dbraw/zinc/20/26/38/496202638.db2.gz BCUXUVPZKQRALU-UHFFFAOYSA-N 1 2 351.454 3.436 10 0 FGAELO Cc1ccc([C@H](C)NC(=O)NCc2cccnc2-n2cc[nH+]c2)cc1F ZINC000152689141 496227302 /nfs/dbraw/zinc/22/73/02/496227302.db2.gz QQNAUEOGBPSJIB-AWEZNQCLSA-N 1 2 353.401 3.275 10 0 FGAELO O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000177973784 496272594 /nfs/dbraw/zinc/27/25/94/496272594.db2.gz LKWOKFHCZDWRGV-HNNXBMFYSA-N 1 2 362.355 3.307 10 0 FGAELO Cc1nc(CN2CCC[N@H+](Cc3ccc(F)cc3C(F)(F)F)CC2)no1 ZINC000156634247 496298751 /nfs/dbraw/zinc/29/87/51/496298751.db2.gz DWKNWIVAQJBROC-UHFFFAOYSA-N 1 2 372.366 3.244 10 0 FGAELO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3C(F)(F)F)CC2)no1 ZINC000156634247 496298756 /nfs/dbraw/zinc/29/87/56/496298756.db2.gz DWKNWIVAQJBROC-UHFFFAOYSA-N 1 2 372.366 3.244 10 0 FGAELO Cc1cnn([C@H]2CCC[N@H+](Cc3cn(-c4ccc(F)c(Cl)c4)nn3)C2)c1 ZINC000181305142 496348284 /nfs/dbraw/zinc/34/82/84/496348284.db2.gz KLVUCBBGIKZHHK-INIZCTEOSA-N 1 2 374.851 3.402 10 0 FGAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn(-c4ccc(F)c(Cl)c4)nn3)C2)c1 ZINC000181305142 496348288 /nfs/dbraw/zinc/34/82/88/496348288.db2.gz KLVUCBBGIKZHHK-INIZCTEOSA-N 1 2 374.851 3.402 10 0 FGAELO O=C(c1[nH]c2ccc(Cl)cc2c1Cl)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172750476 496415206 /nfs/dbraw/zinc/41/52/06/496415206.db2.gz XWDPWHRPNUWQQY-LBPRGKRZSA-N 1 2 368.264 3.021 10 0 FGAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)nc[nH+]1)c1cn(-c2ccccc2)nn1 ZINC000153334141 496423358 /nfs/dbraw/zinc/42/33/58/496423358.db2.gz XXALDOWKOVKUTI-CVEARBPZSA-N 1 2 363.469 3.467 10 0 FGAELO C[C@H](Nc1cc(N2CCC[C@@H](C)C2)[nH+]cn1)c1cn(-c2ccccc2)nn1 ZINC000153334141 496423364 /nfs/dbraw/zinc/42/33/64/496423364.db2.gz XXALDOWKOVKUTI-CVEARBPZSA-N 1 2 363.469 3.467 10 0 FGAELO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000172787958 496432246 /nfs/dbraw/zinc/43/22/46/496432246.db2.gz BGXKQVPTCJUZRS-BBRMVZONSA-N 1 2 372.860 3.303 10 0 FGAELO C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000172787958 496432252 /nfs/dbraw/zinc/43/22/52/496432252.db2.gz BGXKQVPTCJUZRS-BBRMVZONSA-N 1 2 372.860 3.303 10 0 FGAELO Cc1ccccc1CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178454000 496462670 /nfs/dbraw/zinc/46/26/70/496462670.db2.gz RNGGVITZLPRNPS-SJLPKXTDSA-N 1 2 373.522 3.318 10 0 FGAELO Cc1ccccc1CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178454000 496462673 /nfs/dbraw/zinc/46/26/73/496462673.db2.gz RNGGVITZLPRNPS-SJLPKXTDSA-N 1 2 373.522 3.318 10 0 FGAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1 ZINC000157395147 496468821 /nfs/dbraw/zinc/46/88/21/496468821.db2.gz USIQVETUCNJEHV-ZWKOTPCHSA-N 1 2 374.529 3.266 10 0 FGAELO Cc1oc2nc(C[NH+]3CCC(Oc4ccccc4)CC3)nc(N)c2c1C ZINC000153488698 496472753 /nfs/dbraw/zinc/47/27/53/496472753.db2.gz VFSNWBPDPYTHKQ-UHFFFAOYSA-N 1 2 352.438 3.465 10 0 FGAELO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)o1)c1ccc(F)c(F)c1 ZINC000181637134 496481364 /nfs/dbraw/zinc/48/13/64/496481364.db2.gz DLJVCGLOTBPPSH-LBPRGKRZSA-N 1 2 370.421 3.193 10 0 FGAELO CC(C)(C)c1csc([C@H]2C[N@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181669340 496495693 /nfs/dbraw/zinc/49/56/93/496495693.db2.gz MJRJPLYUTHRKJB-GDBMZVCRSA-N 1 2 354.516 3.357 10 0 FGAELO CC(C)(C)c1csc([C@H]2C[N@@H+](CCO[C@@H]3CCCCO3)CCO2)n1 ZINC000181669340 496495696 /nfs/dbraw/zinc/49/56/96/496495696.db2.gz MJRJPLYUTHRKJB-GDBMZVCRSA-N 1 2 354.516 3.357 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCC1CCCC1 ZINC000178551388 496496197 /nfs/dbraw/zinc/49/61/97/496496197.db2.gz KIQXFBRVXLOFIG-QGZVFWFLSA-N 1 2 365.543 3.343 10 0 FGAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2nc3cc(Br)ccc3[nH]2)cn1 ZINC000184965099 496603262 /nfs/dbraw/zinc/60/32/62/496603262.db2.gz PGAAUKJWZHMZAL-OAHLLOKOSA-N 1 2 360.259 3.396 10 0 FGAELO Cn1cc([C@H]2CCC[N@H+]2Cc2nc3cc(Br)ccc3[nH]2)cn1 ZINC000184965099 496603267 /nfs/dbraw/zinc/60/32/67/496603267.db2.gz PGAAUKJWZHMZAL-OAHLLOKOSA-N 1 2 360.259 3.396 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3ccccc3s2)nc[nH+]1 ZINC000173414501 496682597 /nfs/dbraw/zinc/68/25/97/496682597.db2.gz DLPCNUUJPUGVJJ-AWEZNQCLSA-N 1 2 367.478 3.132 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc3ccccc3s2)[nH+]cn1 ZINC000173414501 496682603 /nfs/dbraw/zinc/68/26/03/496682603.db2.gz DLPCNUUJPUGVJJ-AWEZNQCLSA-N 1 2 367.478 3.132 10 0 FGAELO C[C@@H]1C[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H](C)O1 ZINC000179193452 496706693 /nfs/dbraw/zinc/70/66/93/496706693.db2.gz JAIAYQBCURRCNJ-CHWSQXEVSA-N 1 2 350.260 3.244 10 0 FGAELO Cc1ccccc1CNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247010507 496750548 /nfs/dbraw/zinc/75/05/48/496750548.db2.gz RNGGVITZLPRNPS-FUHWJXTLSA-N 1 2 373.522 3.318 10 0 FGAELO Cc1ccccc1CNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247010507 496750549 /nfs/dbraw/zinc/75/05/49/496750549.db2.gz RNGGVITZLPRNPS-FUHWJXTLSA-N 1 2 373.522 3.318 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000247088724 496776071 /nfs/dbraw/zinc/77/60/71/496776071.db2.gz ZUCZWYNFXFDMHI-QLPKVWCKSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)cs1 ZINC000247088724 496776079 /nfs/dbraw/zinc/77/60/79/496776079.db2.gz ZUCZWYNFXFDMHI-QLPKVWCKSA-N 1 2 364.559 3.494 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3c(F)cccc3N3CCCC3)CCO2)cn1 ZINC000191702739 496859707 /nfs/dbraw/zinc/85/97/07/496859707.db2.gz CJRPPDSVTIIRNG-FQEVSTJZSA-N 1 2 358.461 3.216 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)CCO2)cn1 ZINC000191702739 496859713 /nfs/dbraw/zinc/85/97/13/496859713.db2.gz CJRPPDSVTIIRNG-FQEVSTJZSA-N 1 2 358.461 3.216 10 0 FGAELO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c(C)c1 ZINC000195375903 496904644 /nfs/dbraw/zinc/90/46/44/496904644.db2.gz WACACLXCDNXVGN-DLBZAZTESA-N 1 2 359.470 3.387 10 0 FGAELO Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2noc(C(C)C)n2)c(C)c1 ZINC000195375903 496904650 /nfs/dbraw/zinc/90/46/50/496904650.db2.gz WACACLXCDNXVGN-DLBZAZTESA-N 1 2 359.470 3.387 10 0 FGAELO CCc1csc([C@H]2CCC[N@H+](Cc3nnnn3-c3ccccc3)C2)n1 ZINC000195380401 496905852 /nfs/dbraw/zinc/90/58/52/496905852.db2.gz JRAIAQGXWJPIPF-AWEZNQCLSA-N 1 2 354.483 3.061 10 0 FGAELO CCc1csc([C@H]2CCC[N@@H+](Cc3nnnn3-c3ccccc3)C2)n1 ZINC000195380401 496905856 /nfs/dbraw/zinc/90/58/56/496905856.db2.gz JRAIAQGXWJPIPF-AWEZNQCLSA-N 1 2 354.483 3.061 10 0 FGAELO CCc1cc(N2CCC[C@@H](c3nncn3CC)C2)nc(-c2ccncc2)[nH+]1 ZINC000264539525 496924152 /nfs/dbraw/zinc/92/41/52/496924152.db2.gz AVCPQILELPPPQT-MRXNPFEDSA-N 1 2 363.469 3.096 10 0 FGAELO O[C@H](C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000195511775 496947780 /nfs/dbraw/zinc/94/77/80/496947780.db2.gz HYVLGAGJUGFJNK-HZPDHXFCSA-N 1 2 362.424 3.153 10 0 FGAELO O[C@H](C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000195511775 496947785 /nfs/dbraw/zinc/94/77/85/496947785.db2.gz HYVLGAGJUGFJNK-HZPDHXFCSA-N 1 2 362.424 3.153 10 0 FGAELO C[C@H](CNC(=O)C(C)(C)Cc1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000188933157 496951946 /nfs/dbraw/zinc/95/19/46/496951946.db2.gz XTIPKGRDNBBPFD-CQSZACIVSA-N 1 2 372.431 3.111 10 0 FGAELO Cc1csc([C@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CCO2)n1 ZINC000264659724 496955605 /nfs/dbraw/zinc/95/56/05/496955605.db2.gz LIVDRYYVSRQNDO-UKRRQHHQSA-N 1 2 359.499 3.056 10 0 FGAELO Cc1csc([C@H]2CN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CCO2)n1 ZINC000264659724 496955609 /nfs/dbraw/zinc/95/56/09/496955609.db2.gz LIVDRYYVSRQNDO-UKRRQHHQSA-N 1 2 359.499 3.056 10 0 FGAELO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192005679 496960239 /nfs/dbraw/zinc/96/02/39/496960239.db2.gz HHOYEMMGJJXCIX-MRXNPFEDSA-N 1 2 361.873 3.259 10 0 FGAELO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192005679 496960241 /nfs/dbraw/zinc/96/02/41/496960241.db2.gz HHOYEMMGJJXCIX-MRXNPFEDSA-N 1 2 361.873 3.259 10 0 FGAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192005679 496960244 /nfs/dbraw/zinc/96/02/44/496960244.db2.gz HHOYEMMGJJXCIX-MRXNPFEDSA-N 1 2 361.873 3.259 10 0 FGAELO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc3ccccc3nc2Cl)CC1 ZINC000192005679 496960246 /nfs/dbraw/zinc/96/02/46/496960246.db2.gz HHOYEMMGJJXCIX-MRXNPFEDSA-N 1 2 361.873 3.259 10 0 FGAELO O=C(C[N@H+]1CC[C@H](CCO)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000227573897 497090411 /nfs/dbraw/zinc/09/04/11/497090411.db2.gz LERNIPJRNKRKCN-SECBINFHSA-N 1 2 351.661 3.290 10 0 FGAELO O=C(C[N@@H+]1CC[C@H](CCO)C1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000227573897 497090417 /nfs/dbraw/zinc/09/04/17/497090417.db2.gz LERNIPJRNKRKCN-SECBINFHSA-N 1 2 351.661 3.290 10 0 FGAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cs1 ZINC000249200637 497180344 /nfs/dbraw/zinc/18/03/44/497180344.db2.gz CXROMHMANWSHDT-WBAXXEDZSA-N 1 2 365.543 3.300 10 0 FGAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cs1 ZINC000249200637 497180346 /nfs/dbraw/zinc/18/03/46/497180346.db2.gz CXROMHMANWSHDT-WBAXXEDZSA-N 1 2 365.543 3.300 10 0 FGAELO C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)c1ccc(F)c(Cl)c1 ZINC000189887168 497281465 /nfs/dbraw/zinc/28/14/65/497281465.db2.gz RUUMIEBNUCNONP-SJCJKPOMSA-N 1 2 354.853 3.300 10 0 FGAELO C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)c1ccc(F)c(Cl)c1 ZINC000189887168 497281469 /nfs/dbraw/zinc/28/14/69/497281469.db2.gz RUUMIEBNUCNONP-SJCJKPOMSA-N 1 2 354.853 3.300 10 0 FGAELO C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)nc[nH+]2)C1 ZINC000243835303 497360756 /nfs/dbraw/zinc/36/07/56/497360756.db2.gz RBCZTOBTIRWPFD-INIZCTEOSA-N 1 2 355.461 3.179 10 0 FGAELO C[C@H]1CCCN(c2cc(N3CCN(c4ccccc4F)CC3)[nH+]cn2)C1 ZINC000243835303 497360760 /nfs/dbraw/zinc/36/07/60/497360760.db2.gz RBCZTOBTIRWPFD-INIZCTEOSA-N 1 2 355.461 3.179 10 0 FGAELO COC(=O)[C@@H]1CCC[C@H](C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000245424462 497398005 /nfs/dbraw/zinc/39/80/05/497398005.db2.gz KCFCDXTWLCZHIO-BHYGNILZSA-N 1 2 355.438 3.029 10 0 FGAELO CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000193701090 497451245 /nfs/dbraw/zinc/45/12/45/497451245.db2.gz ZHCDGRJLHYDNKP-OAHLLOKOSA-N 1 2 358.404 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Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)c1Cl ZINC000132726498 700830598 /nfs/dbraw/zinc/83/05/98/700830598.db2.gz HEUIXGUXVUFNMT-GOSISDBHSA-N 1 2 358.869 3.140 10 0 FGAELO COc1c(C[NH2+]Cc2cc(Br)ccc2Cl)c(C)nn1C ZINC000160179609 705246670 /nfs/dbraw/zinc/24/66/70/705246670.db2.gz XZSVLAVXVHHUDH-UHFFFAOYSA-N 1 2 358.667 3.443 10 0 FGAELO C[C@H]([NH2+]CC(=O)N(C)Cc1cnn(C)c1)c1c(Cl)ccc(F)c1Cl ZINC000179539344 705704715 /nfs/dbraw/zinc/70/47/15/705704715.db2.gz SGHQXXBDHVMEEW-JTQLQIEISA-N 1 2 373.259 3.175 10 0 FGAELO COc1ccc(C(=O)NC(=O)C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cc1 ZINC000180733134 705755235 /nfs/dbraw/zinc/75/52/35/705755235.db2.gz GGUBXTOBJMZKRG-LLVKDONJSA-N 1 2 364.804 3.095 10 0 FGAELO Cc1cc(=O)oc(C)c1C(=O)NCc1ccc[nH+]c1N(C)C1CCCCC1 ZINC000012760420 204492188 /nfs/dbraw/zinc/49/21/88/204492188.db2.gz KAFQXUZUKCRANZ-UHFFFAOYSA-N 1 2 369.465 3.351 10 0 FGAELO CC[C@H]1c2cccn2CC[N@H+]1Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055036538 205204275 /nfs/dbraw/zinc/20/42/75/205204275.db2.gz 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FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)COCc1ccccc1)C2 ZINC000173336803 496647680 /nfs/dbraw/zinc/64/76/80/496647680.db2.gz PNRBQZWRMMBOAM-MRXNPFEDSA-N 1 2 370.497 3.217 10 0 FGAELO C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173398512 496675381 /nfs/dbraw/zinc/67/53/81/496675381.db2.gz JKZMKIRWOYQHIV-FXAWDEMLSA-N 1 2 366.461 3.272 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000182135165 496683786 /nfs/dbraw/zinc/68/37/86/496683786.db2.gz AXDOCAGOZLHYRL-HNNXBMFYSA-N 1 2 369.303 3.338 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000182135165 496683790 /nfs/dbraw/zinc/68/37/90/496683790.db2.gz AXDOCAGOZLHYRL-HNNXBMFYSA-N 1 2 369.303 3.338 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)C(C)C)nc[nH+]1 ZINC000173433907 496691177 /nfs/dbraw/zinc/69/11/77/496691177.db2.gz YUWPRTYADTXETJ-FXAWDEMLSA-N 1 2 367.497 3.043 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](c2ccccc2)C(C)C)[nH+]cn1 ZINC000173433907 496691183 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495481748 /nfs/dbraw/zinc/48/17/48/495481748.db2.gz INVGQJZEJDCEPP-KBPBESRZSA-N 1 2 357.424 3.009 10 0 FGAELO CCn1cc[nH+]c1CS(=O)(=O)CCCc1ccccc1Br ZINC000182503925 495590194 /nfs/dbraw/zinc/59/01/94/495590194.db2.gz WESZCQSETBWBLE-UHFFFAOYSA-N 1 2 371.300 3.213 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)s1 ZINC000179499465 495616461 /nfs/dbraw/zinc/61/64/61/495616461.db2.gz UWZGNAOGXPLCCQ-UHFFFAOYSA-N 1 2 353.495 3.159 10 0 FGAELO C[C@@H]([NH2+][C@H](C)c1nnc2n1CCCC2)C(=O)Nc1cc(Cl)ccc1F ZINC000173623257 495620061 /nfs/dbraw/zinc/62/00/61/495620061.db2.gz RTCBFLYSWUXLNS-GHMZBOCLSA-N 1 2 365.840 3.085 10 0 FGAELO Cc1sc(NC(=O)C[NH+]2CCC(N(C)c3cccnn3)CC2)c(C)c1C ZINC000173672760 495642413 /nfs/dbraw/zinc/64/24/13/495642413.db2.gz DOBIAFAWNNCYNL-UHFFFAOYSA-N 1 2 373.526 3.003 10 0 FGAELO O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173776222 495687492 /nfs/dbraw/zinc/68/74/92/495687492.db2.gz XKRRUYAQXQWIDV-HXUWFJFHSA-N 1 2 365.477 3.216 10 0 FGAELO 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374.916 3.346 10 0 FGAELO COC(=O)[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000171670151 495982869 /nfs/dbraw/zinc/98/28/69/495982869.db2.gz FTASIGRZGUUKRQ-MRXNPFEDSA-N 1 2 374.506 3.282 10 0 FGAELO COC(=O)[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(Cc3cccs3)c2C)C1 ZINC000171670151 495982873 /nfs/dbraw/zinc/98/28/73/495982873.db2.gz FTASIGRZGUUKRQ-MRXNPFEDSA-N 1 2 374.506 3.282 10 0 FGAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000155534405 495986729 /nfs/dbraw/zinc/98/67/29/495986729.db2.gz IWBZALVFKGTGHQ-CABCVRRESA-N 1 2 373.403 3.247 10 0 FGAELO OC[C@@H]1CCCN1c1cc(NCCc2csc3ccccc23)[nH+]cn1 ZINC000171851145 496063828 /nfs/dbraw/zinc/06/38/28/496063828.db2.gz ZZRAPIGIGOZPCV-HNNXBMFYSA-N 1 2 354.479 3.307 10 0 FGAELO OC[C@@H]1CCCN1c1cc(NCCc2csc3ccccc23)nc[nH+]1 ZINC000171851145 496063829 /nfs/dbraw/zinc/06/38/29/496063829.db2.gz ZZRAPIGIGOZPCV-HNNXBMFYSA-N 1 2 354.479 3.307 10 0 FGAELO CCO[C@H]1C[C@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C12CCCC2 ZINC000156167266 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3.034 10 0 FGAELO CCN(C(C)=O)c1nc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000236815816 497150332 /nfs/dbraw/zinc/15/03/32/497150332.db2.gz QANBJONDUOLPJY-LBPRGKRZSA-N 1 2 363.483 3.384 10 0 FGAELO O[C@@H](C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000249866034 497253447 /nfs/dbraw/zinc/25/34/47/497253447.db2.gz HYVLGAGJUGFJNK-HOTGVXAUSA-N 1 2 362.424 3.153 10 0 FGAELO O[C@@H](C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000249866034 497253453 /nfs/dbraw/zinc/25/34/53/497253453.db2.gz HYVLGAGJUGFJNK-HOTGVXAUSA-N 1 2 362.424 3.153 10 0 FGAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cs1 ZINC000189814088 497253691 /nfs/dbraw/zinc/25/36/91/497253691.db2.gz CXROMHMANWSHDT-JCGIZDLHSA-N 1 2 365.543 3.300 10 0 FGAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cs1 ZINC000189814088 497253697 /nfs/dbraw/zinc/25/36/97/497253697.db2.gz CXROMHMANWSHDT-JCGIZDLHSA-N 1 2 365.543 3.300 10 0 FGAELO CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000251436895 497272852 /nfs/dbraw/zinc/27/28/52/497272852.db2.gz CIWRUNPZEQXBME-TWMKSMIVSA-N 1 2 365.543 3.340 10 0 FGAELO CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000251436895 497272858 /nfs/dbraw/zinc/27/28/58/497272858.db2.gz CIWRUNPZEQXBME-TWMKSMIVSA-N 1 2 365.543 3.340 10 0 FGAELO COc1cnccc1[C@H](C)NC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189929804 497296682 /nfs/dbraw/zinc/29/66/82/497296682.db2.gz WBLVORCICMQODT-CABCVRRESA-N 1 2 365.437 3.397 10 0 FGAELO CC[N@@H+]1CC[C@H](NC(=O)NCCCCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193105056 497303001 /nfs/dbraw/zinc/30/30/01/497303001.db2.gz ZMDSUHIMGAYMAA-IRXDYDNUSA-N 1 2 371.884 3.076 10 0 FGAELO CC[N@H+]1CC[C@H](NC(=O)NCCCCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000193105056 497303006 /nfs/dbraw/zinc/30/30/06/497303006.db2.gz ZMDSUHIMGAYMAA-IRXDYDNUSA-N 1 2 371.884 3.076 10 0 FGAELO CCCCOC[C@@H](O)CN(Cc1cccnc1)c1[nH]c2ccccc2[nH+]1 ZINC000193382750 497365805 /nfs/dbraw/zinc/36/58/05/497365805.db2.gz WIBJRCSIEJOCEY-KRWDZBQOSA-N 1 2 354.454 3.142 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000245200421 497376003 /nfs/dbraw/zinc/37/60/03/497376003.db2.gz KJNMUBZXTBUKFT-KGLIPLIRSA-N 1 2 374.510 3.004 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2nc3ccccc3s2)C1 ZINC000245200421 497376008 /nfs/dbraw/zinc/37/60/08/497376008.db2.gz KJNMUBZXTBUKFT-KGLIPLIRSA-N 1 2 374.510 3.004 10 0 FGAELO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245445051 497411136 /nfs/dbraw/zinc/41/11/36/497411136.db2.gz KATQNHJFGSRJSZ-ABAIWWIYSA-N 1 2 373.457 3.333 10 0 FGAELO C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000245445051 497411139 /nfs/dbraw/zinc/41/11/39/497411139.db2.gz KATQNHJFGSRJSZ-ABAIWWIYSA-N 1 2 373.457 3.333 10 0 FGAELO COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000245447134 497411643 /nfs/dbraw/zinc/41/16/43/497411643.db2.gz LVSVUFAZWNMGMN-BEFAXECRSA-N 1 2 358.486 3.066 10 0 FGAELO COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1C ZINC000245447134 497411647 /nfs/dbraw/zinc/41/16/47/497411647.db2.gz LVSVUFAZWNMGMN-BEFAXECRSA-N 1 2 358.486 3.066 10 0 FGAELO C[C@@H](Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000267272236 497513103 /nfs/dbraw/zinc/51/31/03/497513103.db2.gz ZTOPJYBAMZOEBX-TZMCWYRMSA-N 1 2 364.396 3.212 10 0 FGAELO C[C@@H](Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccc(OC(F)F)cc1 ZINC000267272236 497513109 /nfs/dbraw/zinc/51/31/09/497513109.db2.gz ZTOPJYBAMZOEBX-TZMCWYRMSA-N 1 2 364.396 3.212 10 0 FGAELO FC(F)(F)c1cc(N2CCC[C@H]2Cn2cc[nH+]c2)nc(-c2cccnc2)n1 ZINC000267433771 497551764 /nfs/dbraw/zinc/55/17/64/497551764.db2.gz XKHGXYAEMMYHDM-AWEZNQCLSA-N 1 2 374.370 3.423 10 0 FGAELO CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245945831 497581073 /nfs/dbraw/zinc/58/10/73/497581073.db2.gz BJROMLAEJJXZSY-DQYPLSBCSA-N 1 2 371.884 3.075 10 0 FGAELO CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)CCCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245945831 497581076 /nfs/dbraw/zinc/58/10/76/497581076.db2.gz BJROMLAEJJXZSY-DQYPLSBCSA-N 1 2 371.884 3.075 10 0 FGAELO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)O1 ZINC000246038986 497602214 /nfs/dbraw/zinc/60/22/14/497602214.db2.gz OTFWCZDSLKWWHH-PVUWLOKVSA-N 1 2 354.853 3.127 10 0 FGAELO C[C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)O1 ZINC000246038986 497602220 /nfs/dbraw/zinc/60/22/20/497602220.db2.gz OTFWCZDSLKWWHH-PVUWLOKVSA-N 1 2 354.853 3.127 10 0 FGAELO CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280965 497682978 /nfs/dbraw/zinc/68/29/78/497682978.db2.gz BNNSCEQSUIVRQE-GPMSIDNRSA-N 1 2 365.949 3.395 10 0 FGAELO CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280965 497682981 /nfs/dbraw/zinc/68/29/81/497682981.db2.gz BNNSCEQSUIVRQE-GPMSIDNRSA-N 1 2 365.949 3.395 10 0 FGAELO CCOC(=O)c1c(C)oc2nc(C[NH2+][C@@H](C)c3cccs3)nc(N)c21 ZINC000194694509 497742174 /nfs/dbraw/zinc/74/21/74/497742174.db2.gz CURPFESBKQYIRU-VIFPVBQESA-N 1 2 360.439 3.202 10 0 FGAELO C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000246761271 497808942 /nfs/dbraw/zinc/80/89/42/497808942.db2.gz IGTCTRYHPRDDHE-RBSFLKMASA-N 1 2 353.532 3.244 10 0 FGAELO C[C@@H](NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C(C)(C)C ZINC000246761271 497808943 /nfs/dbraw/zinc/80/89/43/497808943.db2.gz IGTCTRYHPRDDHE-RBSFLKMASA-N 1 2 353.532 3.244 10 0 FGAELO CC[C@H](C)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246889271 497818701 /nfs/dbraw/zinc/81/87/01/497818701.db2.gz NAGGRQJGOIJKQC-VGWMRTNUSA-N 1 2 353.532 3.244 10 0 FGAELO CC[C@H](C)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246889271 497818702 /nfs/dbraw/zinc/81/87/02/497818702.db2.gz NAGGRQJGOIJKQC-VGWMRTNUSA-N 1 2 353.532 3.244 10 0 FGAELO CC[C@H](C)[C@H](C)NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000246925989 497820798 /nfs/dbraw/zinc/82/07/98/497820798.db2.gz OHHQGRFYCKICBU-HRCADAONSA-N 1 2 353.532 3.197 10 0 FGAELO COc1cc(OC)c(CNc2cc(N3CCC[C@@H](C)C3)nc[nH+]2)c(OC)c1 ZINC000301241201 498015949 /nfs/dbraw/zinc/01/59/49/498015949.db2.gz MNAKCZHIGCQWQF-CQSZACIVSA-N 1 2 372.469 3.351 10 0 FGAELO COc1cc(OC)c(CNc2cc(N3CCC[C@@H](C)C3)[nH+]cn2)c(OC)c1 ZINC000301241201 498015953 /nfs/dbraw/zinc/01/59/53/498015953.db2.gz MNAKCZHIGCQWQF-CQSZACIVSA-N 1 2 372.469 3.351 10 0 FGAELO C[C@H]1CCCN(c2cc(NCC(=O)N3CCCc4ccccc43)[nH+]cn2)C1 ZINC000301254691 498023230 /nfs/dbraw/zinc/02/32/30/498023230.db2.gz QOOVTLHEFKBEPU-INIZCTEOSA-N 1 2 365.481 3.104 10 0 FGAELO C[C@H]1CCCN(c2cc(NCC(=O)N3CCCc4ccccc43)nc[nH+]2)C1 ZINC000301254691 498023235 /nfs/dbraw/zinc/02/32/35/498023235.db2.gz QOOVTLHEFKBEPU-INIZCTEOSA-N 1 2 365.481 3.104 10 0 FGAELO CC(C)c1nc([C@@H](C)Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cs1 ZINC000301596021 498178976 /nfs/dbraw/zinc/17/89/76/498178976.db2.gz WBLRBUWEELXIIT-ZIAGYGMSSA-N 1 2 361.515 3.438 10 0 FGAELO CC(C)c1nc([C@@H](C)Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cs1 ZINC000301596021 498178980 /nfs/dbraw/zinc/17/89/80/498178980.db2.gz WBLRBUWEELXIIT-ZIAGYGMSSA-N 1 2 361.515 3.438 10 0 FGAELO CCc1ccc(C2=CCN(c3cc(N4CCC[C@@H]4CO)nc[nH+]3)CC2)cc1 ZINC000301965870 498347002 /nfs/dbraw/zinc/34/70/02/498347002.db2.gz XQFUYCAMJXFHAU-HXUWFJFHSA-N 1 2 364.493 3.294 10 0 FGAELO CCc1ccc(C2=CCN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)CC2)cc1 ZINC000301965870 498347005 /nfs/dbraw/zinc/34/70/05/498347005.db2.gz XQFUYCAMJXFHAU-HXUWFJFHSA-N 1 2 364.493 3.294 10 0 FGAELO c1[nH]c([C@H]2CCCN(c3nnnn3-c3ccccc3)C2)[nH+]c1-c1ccccc1 ZINC000301977583 498353437 /nfs/dbraw/zinc/35/34/37/498353437.db2.gz FQVRGWDHFFETRO-KRWDZBQOSA-N 1 2 371.448 3.436 10 0 FGAELO CC(C)Oc1nccnc1NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000302016836 498369425 /nfs/dbraw/zinc/36/94/25/498369425.db2.gz GBDMKKIAXHFDSY-GJZGRUSLSA-N 1 2 362.499 3.199 10 0 FGAELO CC(C)Oc1nccnc1NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000302016836 498369429 /nfs/dbraw/zinc/36/94/29/498369429.db2.gz GBDMKKIAXHFDSY-GJZGRUSLSA-N 1 2 362.499 3.199 10 0 FGAELO Cc1cccc2ncnc(N3CC[NH+](Cc4ccc(Cl)cn4)CC3)c12 ZINC000302148123 498417173 /nfs/dbraw/zinc/41/71/73/498417173.db2.gz LHNCQKHLDIKDNJ-UHFFFAOYSA-N 1 2 353.857 3.309 10 0 FGAELO OC[C@@H]1CCCCN1c1cc(N2CC=C(c3ccccc3)CC2)[nH+]cn1 ZINC000302777209 498568603 /nfs/dbraw/zinc/56/86/03/498568603.db2.gz FZNVXUNCVBAHFG-IBGZPJMESA-N 1 2 350.466 3.122 10 0 FGAELO OC[C@@H]1CCCCN1c1cc(N2CC=C(c3ccccc3)CC2)nc[nH+]1 ZINC000302777209 498568609 /nfs/dbraw/zinc/56/86/09/498568609.db2.gz FZNVXUNCVBAHFG-IBGZPJMESA-N 1 2 350.466 3.122 10 0 FGAELO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2nc3c(s2)CCC3)n1C ZINC000328655755 498891462 /nfs/dbraw/zinc/89/14/62/498891462.db2.gz YQGLRZLSFSNCPV-HNNXBMFYSA-N 1 2 358.511 3.057 10 0 FGAELO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2nc3c(s2)CCC3)n1C ZINC000328655755 498891471 /nfs/dbraw/zinc/89/14/71/498891471.db2.gz YQGLRZLSFSNCPV-HNNXBMFYSA-N 1 2 358.511 3.057 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@H+](Cn3c(=S)ncn3-c3ccccc3)C2)c1 ZINC000152897568 704977338 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DDONXUKMIJJAGQ-FQEVSTJZSA-N 1 2 371.529 3.182 10 0 FGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)n1 ZINC000183060313 495817973 /nfs/dbraw/zinc/81/79/73/495817973.db2.gz DDONXUKMIJJAGQ-FQEVSTJZSA-N 1 2 371.529 3.182 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000176892105 495830265 /nfs/dbraw/zinc/83/02/65/495830265.db2.gz LIRJOHBDVMLMAG-XESHVACXSA-N 1 2 359.495 3.079 10 0 FGAELO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1 ZINC000151495989 495857681 /nfs/dbraw/zinc/85/76/81/495857681.db2.gz FBFBIADRQHPJNK-SJORKVTESA-N 1 2 370.497 3.410 10 0 FGAELO COc1ccccc1-c1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180112687 495863324 /nfs/dbraw/zinc/86/33/24/495863324.db2.gz DXCVAOWFIFTCNT-FQEVSTJZSA-N 1 2 364.449 3.362 10 0 FGAELO COc1ccccc1-c1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180112687 495863330 /nfs/dbraw/zinc/86/33/30/495863330.db2.gz DXCVAOWFIFTCNT-FQEVSTJZSA-N 1 2 364.449 3.362 10 0 FGAELO 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C[NH+](C)C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCO1 ZINC000152089642 496044780 /nfs/dbraw/zinc/04/47/80/496044780.db2.gz MUJYEZVAKWPUAG-INIZCTEOSA-N 1 2 374.868 3.115 10 0 FGAELO CC(C)(C)c1csc(CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000177500301 496087582 /nfs/dbraw/zinc/08/75/82/496087582.db2.gz BZJBLDQPXWKJSR-CQSZACIVSA-N 1 2 361.515 3.054 10 0 FGAELO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000172111968 496169641 /nfs/dbraw/zinc/16/96/41/496169641.db2.gz XFXMGUUUHZHSQE-OALUTQOASA-N 1 2 369.465 3.200 10 0 FGAELO C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177750358 496182239 /nfs/dbraw/zinc/18/22/39/496182239.db2.gz TZZAUDTXHVMUHK-UONOGXRCSA-N 1 2 367.371 3.360 10 0 FGAELO O=C(c1ccc(Br)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177767349 496187282 /nfs/dbraw/zinc/18/72/82/496187282.db2.gz XPFUOVNPOPSJSY-GFCCVEGCSA-N 1 2 352.207 3.090 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)Nc2cccc(F)c2)[NH+]2CCOCC2)s1 ZINC000174983376 496193340 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/nfs/dbraw/zinc/87/50/32/495875032.db2.gz GKSPBNVGAJVVLB-INIZCTEOSA-N 1 2 359.470 3.048 10 0 FGAELO O=C(c1cc(Br)cc(Cl)c1O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000174245967 495880379 /nfs/dbraw/zinc/88/03/79/495880379.db2.gz RBVNXDQBQPCIDA-LLVKDONJSA-N 1 2 373.678 3.118 10 0 FGAELO O=C(c1cc(Br)cc(Cl)c1O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000174245967 495880385 /nfs/dbraw/zinc/88/03/85/495880385.db2.gz RBVNXDQBQPCIDA-LLVKDONJSA-N 1 2 373.678 3.118 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(Cl)cc2C)nc[nH+]1 ZINC000174259640 495885324 /nfs/dbraw/zinc/88/53/24/495885324.db2.gz VMLHOACLCLKRCG-AWEZNQCLSA-N 1 2 374.876 3.271 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(Cl)cc2C)[nH+]cn1 ZINC000174259640 495885333 /nfs/dbraw/zinc/88/53/33/495885333.db2.gz VMLHOACLCLKRCG-AWEZNQCLSA-N 1 2 374.876 3.271 10 0 FGAELO O=C(N[C@@H](CC1CCCC1)c1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000151652758 495907089 /nfs/dbraw/zinc/90/70/89/495907089.db2.gz KFHPENWYKJPIHX-SFTDATJTSA-N 1 2 371.525 3.424 10 0 FGAELO Clc1cc(Cl)c2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cn2c1 ZINC000171525296 495913507 /nfs/dbraw/zinc/91/35/07/495913507.db2.gz FPIHQKDPXLZMPO-ZDUSSCGKSA-N 1 2 351.241 3.070 10 0 FGAELO Clc1cc(Cl)c2nc(C[N@H+]3CCC[C@H](n4cncn4)C3)cn2c1 ZINC000171525296 495913511 /nfs/dbraw/zinc/91/35/11/495913511.db2.gz FPIHQKDPXLZMPO-ZDUSSCGKSA-N 1 2 351.241 3.070 10 0 FGAELO CCOC(=O)c1nn(C)cc1C[NH2+][C@H](C)c1ccccc1Br ZINC000186296264 495934121 /nfs/dbraw/zinc/93/41/21/495934121.db2.gz NZAYQYICFNVJMA-LLVKDONJSA-N 1 2 366.259 3.210 10 0 FGAELO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647888 495966989 /nfs/dbraw/zinc/96/69/89/495966989.db2.gz JITYSXVRHIXFEL-AWEZNQCLSA-N 1 2 374.872 3.116 10 0 FGAELO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171647888 495966994 /nfs/dbraw/zinc/96/69/94/495966994.db2.gz JITYSXVRHIXFEL-AWEZNQCLSA-N 1 2 374.872 3.116 10 0 FGAELO COc1ccc(CCNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000174480944 495977937 /nfs/dbraw/zinc/97/79/37/495977937.db2.gz IRVUTYWXHPHBSN-MRXNPFEDSA-N 1 2 364.449 3.484 10 0 FGAELO CCOc1cc2c(cc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)O[C@@H](C)C2 ZINC000180399043 495981479 /nfs/dbraw/zinc/98/14/79/495981479.db2.gz FLJSSTXAFCXAFL-GOEBONIOSA-N 1 2 370.453 3.302 10 0 FGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000171675137 495985136 /nfs/dbraw/zinc/98/51/36/495985136.db2.gz GUGROZCUDZOLGN-GFCCVEGCSA-N 1 2 369.874 3.059 10 0 FGAELO COc1ccc([C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C(C)C)cc1 ZINC000177368200 496033971 /nfs/dbraw/zinc/03/39/71/496033971.db2.gz IQFHKSGBVVNZES-IEBWSBKVSA-N 1 2 356.470 3.463 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCCOc1ccccc1)C2 ZINC000171866461 496069194 /nfs/dbraw/zinc/06/91/94/496069194.db2.gz FFCGMGMHZJRVPE-UHFFFAOYSA-N 1 2 356.470 3.080 10 0 FGAELO CCC[C@@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671088 496071952 /nfs/dbraw/zinc/07/19/52/496071952.db2.gz MHEKNOSIFMEUEY-FUHWJXTLSA-N 1 2 365.543 3.081 10 0 FGAELO CCC[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671088 496071956 /nfs/dbraw/zinc/07/19/56/496071956.db2.gz MHEKNOSIFMEUEY-FUHWJXTLSA-N 1 2 365.543 3.081 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)c3cccs3)CC2)s1 ZINC000171898130 496081770 /nfs/dbraw/zinc/08/17/70/496081770.db2.gz HEGOETQPQRBIOO-LBPRGKRZSA-N 1 2 350.513 3.101 10 0 FGAELO Cc1nnc(-c2cccc(C(=O)N3CCc4c([nH+]c(C(C)C)n4C)C3)c2)o1 ZINC000174816934 496118494 /nfs/dbraw/zinc/11/84/94/496118494.db2.gz VRRGKTRKKOGBKE-UHFFFAOYSA-N 1 2 365.437 3.100 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)CCO[C@H](C)CC(C)C)CC2)cs1 ZINC000152353892 496125057 /nfs/dbraw/zinc/12/50/57/496125057.db2.gz BQQHOGRHNGQDIP-MRXNPFEDSA-N 1 2 367.559 3.327 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)CCO[C@H](C)CC(C)C)CC2)cs1 ZINC000152353892 496125062 /nfs/dbraw/zinc/12/50/62/496125062.db2.gz BQQHOGRHNGQDIP-MRXNPFEDSA-N 1 2 367.559 3.327 10 0 FGAELO Cc1ccc([C@H](CNC(=O)N2C[C@@H](C)C[C@H](C)C2)[NH+]2CCOCC2)s1 ZINC000174977790 496191617 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FGAELO CCCC(C)(C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175050240 496225752 /nfs/dbraw/zinc/22/57/52/496225752.db2.gz JUODJNTUYKZZNS-HUUCEWRRSA-N 1 2 353.532 3.388 10 0 FGAELO CCCC(C)(C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175050240 496225755 /nfs/dbraw/zinc/22/57/55/496225755.db2.gz JUODJNTUYKZZNS-HUUCEWRRSA-N 1 2 353.532 3.388 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)cs1 ZINC000172397494 496282062 /nfs/dbraw/zinc/28/20/62/496282062.db2.gz ZUCZWYNFXFDMHI-GJZGRUSLSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)cs1 ZINC000172397494 496282065 /nfs/dbraw/zinc/28/20/65/496282065.db2.gz ZUCZWYNFXFDMHI-GJZGRUSLSA-N 1 2 364.559 3.494 10 0 FGAELO C[C@@H](CNC(=O)CC(C)(C)Cc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000187084511 496285222 /nfs/dbraw/zinc/28/52/22/496285222.db2.gz AHOGFKZGVCZWIK-HNNXBMFYSA-N 1 2 352.906 3.136 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCCCC3(C)C)CC2)s1 ZINC000157059117 496395701 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CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)c1ccc(F)cc1Cl)C2 ZINC000185006477 496619144 /nfs/dbraw/zinc/61/91/44/496619144.db2.gz CRTRCBBZSAROOR-QGZVFWFLSA-N 1 2 351.853 3.428 10 0 FGAELO Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H]3c3cnn(C)c3)sc2c1 ZINC000173312186 496638676 /nfs/dbraw/zinc/63/86/76/496638676.db2.gz RYJXTGYORMRAQT-HNNXBMFYSA-N 1 2 355.467 3.114 10 0 FGAELO Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H]3c3cnn(C)c3)sc2c1 ZINC000173312186 496638682 /nfs/dbraw/zinc/63/86/82/496638682.db2.gz RYJXTGYORMRAQT-HNNXBMFYSA-N 1 2 355.467 3.114 10 0 FGAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cc(Cl)ccc1Cl ZINC000188074318 496672127 /nfs/dbraw/zinc/67/21/27/496672127.db2.gz XKVLWSWEFFMWHI-TZMCWYRMSA-N 1 2 372.296 3.171 10 0 FGAELO C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173405984 496678630 /nfs/dbraw/zinc/67/86/30/496678630.db2.gz JVKQPJCHIPZNKH-UWJYYQICSA-N 1 2 365.477 3.223 10 0 FGAELO CCOc1cccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000246949761 496732257 /nfs/dbraw/zinc/73/22/57/496732257.db2.gz PCRCKYRKIKCQGD-YJBOKZPZSA-N 1 2 374.506 3.339 10 0 FGAELO CCOc1cccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c1 ZINC000246949761 496732262 /nfs/dbraw/zinc/73/22/62/496732262.db2.gz PCRCKYRKIKCQGD-YJBOKZPZSA-N 1 2 374.506 3.339 10 0 FGAELO CSCCCCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246992550 496745927 /nfs/dbraw/zinc/74/59/27/496745927.db2.gz QTZBBHBUSOOEBN-HUUCEWRRSA-N 1 2 356.557 3.159 10 0 FGAELO CSCCCCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000246992550 496745930 /nfs/dbraw/zinc/74/59/30/496745930.db2.gz QTZBBHBUSOOEBN-HUUCEWRRSA-N 1 2 356.557 3.159 10 0 FGAELO C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000247017776 496752341 /nfs/dbraw/zinc/75/23/41/496752341.db2.gz RWEXXKYOZRTOTB-BRWVUGGUSA-N 1 2 365.543 3.342 10 0 FGAELO Cc1ccccc1CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247078749 496773300 /nfs/dbraw/zinc/77/33/00/496773300.db2.gz VGMJCFFBIFWRJH-WMZOPIPTSA-N 1 2 358.507 3.177 10 0 FGAELO 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3.031 10 0 FGAELO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173853379 495721115 /nfs/dbraw/zinc/72/11/15/495721115.db2.gz ALMNWASKFCEUGX-QWFCFKBJSA-N 1 2 374.525 3.065 10 0 FGAELO Cc1nn(C)c(C)c1CCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912000 495744959 /nfs/dbraw/zinc/74/49/59/495744959.db2.gz NOGIQXLUWXLLDA-AWEZNQCLSA-N 1 2 351.454 3.033 10 0 FGAELO CC(C)C[C@@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1nc(-c2nc[nH]n2)no1 ZINC000179813520 495745115 /nfs/dbraw/zinc/74/51/15/495745115.db2.gz FHZZSTISERWVIT-TZMCWYRMSA-N 1 2 358.450 3.070 10 0 FGAELO C[C@@H](NC(=O)[C@H](C)OC[C@@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936472 495754571 /nfs/dbraw/zinc/75/45/71/495754571.db2.gz WQWBEGJXKVNNEA-GJYPPUQNSA-N 1 2 357.454 3.024 10 0 FGAELO C[C@@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173939778 495755577 /nfs/dbraw/zinc/75/55/77/495755577.db2.gz UFICQEKCQUUSOK-CQSZACIVSA-N 1 2 358.401 3.205 10 0 FGAELO C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940332 495755759 /nfs/dbraw/zinc/75/57/59/495755759.db2.gz JRQDWSWSBLCFCK-CYBMUJFWSA-N 1 2 368.824 3.342 10 0 FGAELO C[C@H](CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)NC(=O)C1CCCC1 ZINC000173952698 495760766 /nfs/dbraw/zinc/76/07/66/495760766.db2.gz ZMCYQYZMNCOQIX-HZPDHXFCSA-N 1 2 368.481 3.135 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)Nc1cc(Cl)ccc1F ZINC000176877470 495821965 /nfs/dbraw/zinc/82/19/65/495821965.db2.gz ZPZDAQOZQAAUNQ-QHCPKHFHSA-N 1 2 357.838 3.144 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000176879372 495822778 /nfs/dbraw/zinc/82/27/78/495822778.db2.gz FZDSPGXVXMNMJN-ITNZAGEZSA-N 1 2 361.511 3.021 10 0 FGAELO CCn1c(C[N@@H+]2CCC[C@H](Cc3noc(C)n3)C2)nc2c1cccc2F ZINC000171382909 495847947 /nfs/dbraw/zinc/84/79/47/495847947.db2.gz JIOLVTJDWOHJDH-CQSZACIVSA-N 1 2 357.433 3.341 10 0 FGAELO CCn1c(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)nc2c1cccc2F ZINC000171382909 495847951 /nfs/dbraw/zinc/84/79/51/495847951.db2.gz JIOLVTJDWOHJDH-CQSZACIVSA-N 1 2 357.433 3.341 10 0 FGAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4C)o3)CCO2)[nH]1 ZINC000180110967 495862823 /nfs/dbraw/zinc/86/28/23/495862823.db2.gz IZMRWOFXIXEVDU-SFHVURJKSA-N 1 2 356.401 3.394 10 0 FGAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4C)o3)CCO2)[nH]1 ZINC000180110967 495862826 /nfs/dbraw/zinc/86/28/26/495862826.db2.gz IZMRWOFXIXEVDU-SFHVURJKSA-N 1 2 356.401 3.394 10 0 FGAELO C[C@@H](NC(=O)CCc1cccc2c1OCO2)c1cccc(-n2cc[nH+]c2)c1 ZINC000186152435 495875501 /nfs/dbraw/zinc/87/55/01/495875501.db2.gz GRTOLNLIRACRMX-OAHLLOKOSA-N 1 2 363.417 3.411 10 0 FGAELO Cc1cc(C[NH2+][C@H](c2ccc(Br)cc2)c2cncnc2)on1 ZINC000186175737 495884880 /nfs/dbraw/zinc/88/48/80/495884880.db2.gz BTVIXDNFAYZTJW-MRXNPFEDSA-N 1 2 359.227 3.415 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)CCOc3ccccc3)CC2)s1 ZINC000174305150 495901622 /nfs/dbraw/zinc/90/16/22/495901622.db2.gz XJZDOXPRZQRCKD-INIZCTEOSA-N 1 2 373.522 3.201 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)CCOc3ccccc3)CC2)s1 ZINC000174305160 495902177 /nfs/dbraw/zinc/90/21/77/495902177.db2.gz XJZDOXPRZQRCKD-MRXNPFEDSA-N 1 2 373.522 3.201 10 0 FGAELO CCc1nnc(C[NH2+][C@H](COc2ccccc2F)c2ccccc2)n1C ZINC000180305958 495944466 /nfs/dbraw/zinc/94/44/66/495944466.db2.gz WUBUYUTUDIHDPK-QGZVFWFLSA-N 1 2 354.429 3.427 10 0 FGAELO Cn1c(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)nnc1C1CC1 ZINC000177157580 495953408 /nfs/dbraw/zinc/95/34/08/495953408.db2.gz OYHIZMFPXPGCDY-KRWDZBQOSA-N 1 2 352.438 3.021 10 0 FGAELO Cn1c(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)nnc1C1CC1 ZINC000177157580 495953411 /nfs/dbraw/zinc/95/34/11/495953411.db2.gz OYHIZMFPXPGCDY-KRWDZBQOSA-N 1 2 352.438 3.021 10 0 FGAELO Cc1c2ccccc2oc(=O)c1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000177210293 495977885 /nfs/dbraw/zinc/97/78/85/495977885.db2.gz NMMOKYMAUWFPKN-UHFFFAOYSA-N 1 2 365.433 3.157 10 0 FGAELO Cc1cc2oc(=O)cc(C[N@@H+]3CCO[C@@H](c4nccs4)C3)c2cc1C ZINC000171667098 495981162 /nfs/dbraw/zinc/98/11/62/495981162.db2.gz RBZAPTPIWDPFHU-QGZVFWFLSA-N 1 2 356.447 3.440 10 0 FGAELO Cc1cc2oc(=O)cc(C[N@H+]3CCO[C@@H](c4nccs4)C3)c2cc1C ZINC000171667098 495981169 /nfs/dbraw/zinc/98/11/69/495981169.db2.gz RBZAPTPIWDPFHU-QGZVFWFLSA-N 1 2 356.447 3.440 10 0 FGAELO Cc1ccccc1C(NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1C ZINC000186434211 495997883 /nfs/dbraw/zinc/99/78/83/495997883.db2.gz QHLKKIHCFYTKAN-SFHVURJKSA-N 1 2 367.493 3.023 10 0 FGAELO Cc1ccccc1C(NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1C ZINC000186434211 495997887 /nfs/dbraw/zinc/99/78/87/495997887.db2.gz QHLKKIHCFYTKAN-SFHVURJKSA-N 1 2 367.493 3.023 10 0 FGAELO COc1cc(C)c([C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000177400636 496047620 /nfs/dbraw/zinc/04/76/20/496047620.db2.gz DWCOLEKPJBMLQX-HZPDHXFCSA-N 1 2 372.469 3.144 10 0 FGAELO COC(=O)c1oc([C@H](C)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1C ZINC000180613229 496068286 /nfs/dbraw/zinc/06/82/86/496068286.db2.gz NMWQDIRXTOAVCN-ZDUSSCGKSA-N 1 2 363.483 3.018 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152181178 496072279 /nfs/dbraw/zinc/07/22/79/496072279.db2.gz STHRJQYJNYHWHI-GOSISDBHSA-N 1 2 350.422 3.017 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)n1 ZINC000152181178 496072282 /nfs/dbraw/zinc/07/22/82/496072282.db2.gz STHRJQYJNYHWHI-GOSISDBHSA-N 1 2 350.422 3.017 10 0 FGAELO Cc1ccc([C@H](CNC(=O)N2CCCC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000174983691 496194067 /nfs/dbraw/zinc/19/40/67/496194067.db2.gz ZGJXHVVTEOINBG-ZBFHGGJFSA-N 1 2 351.516 3.014 10 0 FGAELO CC[C@H](C)CN(C)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175045019 496222910 /nfs/dbraw/zinc/22/29/10/496222910.db2.gz QQJFBLJJLMJQFA-XHSDSOJGSA-N 1 2 353.532 3.197 10 0 FGAELO CC[C@H](C)CN(C)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175045019 496222914 /nfs/dbraw/zinc/22/29/14/496222914.db2.gz QQJFBLJJLMJQFA-XHSDSOJGSA-N 1 2 353.532 3.197 10 0 FGAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000161972426 496273049 /nfs/dbraw/zinc/27/30/49/496273049.db2.gz ITAUPSQTSURNNF-UWJYYQICSA-N 1 2 370.497 3.071 10 0 FGAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000152850185 496274294 /nfs/dbraw/zinc/27/42/94/496274294.db2.gz LCOJECPRPKVZJT-GFCCVEGCSA-N 1 2 359.421 3.282 10 0 FGAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000152850185 496274298 /nfs/dbraw/zinc/27/42/98/496274298.db2.gz LCOJECPRPKVZJT-GFCCVEGCSA-N 1 2 359.421 3.282 10 0 FGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(Br)cc1C ZINC000184182446 496275106 /nfs/dbraw/zinc/27/51/06/496275106.db2.gz JYDZERBUFPSSFY-OAHLLOKOSA-N 1 2 355.276 3.197 10 0 FGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(Br)cc1C ZINC000184182446 496275108 /nfs/dbraw/zinc/27/51/08/496275108.db2.gz JYDZERBUFPSSFY-OAHLLOKOSA-N 1 2 355.276 3.197 10 0 FGAELO CC(C)(C)OC(=O)CC[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152883335 496284104 /nfs/dbraw/zinc/28/41/04/496284104.db2.gz PMUBKEWWZHLUME-UHFFFAOYSA-N 1 2 371.481 3.191 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)s1 ZINC000172514361 496323598 /nfs/dbraw/zinc/32/35/98/496323598.db2.gz DJVIVHFEYASWMD-KBPBESRZSA-N 1 2 350.532 3.103 10 0 FGAELO CCc1ccccc1S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000187241052 496357385 /nfs/dbraw/zinc/35/73/85/496357385.db2.gz AMXXQLQGZWCWGW-OAHLLOKOSA-N 1 2 355.463 3.474 10 0 FGAELO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)Nc1nc2c(s1)CCCC2 ZINC000157020148 496387208 /nfs/dbraw/zinc/38/72/08/496387208.db2.gz FNARRLBUNLAOQK-LBPRGKRZSA-N 1 2 362.524 3.297 10 0 FGAELO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)Nc1nc2c(s1)CCCC2 ZINC000157020148 496387214 /nfs/dbraw/zinc/38/72/14/496387214.db2.gz FNARRLBUNLAOQK-LBPRGKRZSA-N 1 2 362.524 3.297 10 0 FGAELO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c(C)n1C1CCCCC1 ZINC000172747781 496413853 /nfs/dbraw/zinc/41/38/53/496413853.db2.gz RQTNPVCSDVVGAF-LJQANCHMSA-N 1 2 359.514 3.157 10 0 FGAELO Cc1ccc(-c2ccsc2C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000172751095 496415352 /nfs/dbraw/zinc/41/53/52/496415352.db2.gz IFYXYQPMSJWFJD-QGZVFWFLSA-N 1 2 356.491 3.270 10 0 FGAELO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000172787966 496432139 /nfs/dbraw/zinc/43/21/39/496432139.db2.gz BGXKQVPTCJUZRS-CJNGLKHVSA-N 1 2 372.860 3.303 10 0 FGAELO C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000172787966 496432142 /nfs/dbraw/zinc/43/21/42/496432142.db2.gz BGXKQVPTCJUZRS-CJNGLKHVSA-N 1 2 372.860 3.303 10 0 FGAELO Cc1nc(CN2CCC[N@H+](Cc3cc(Cl)ccc3Cl)CC2)no1 ZINC000172792582 496433665 /nfs/dbraw/zinc/43/36/65/496433665.db2.gz KHXULUWBCGTTIR-UHFFFAOYSA-N 1 2 355.269 3.393 10 0 FGAELO Cc1nc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3Cl)CC2)no1 ZINC000172792582 496433669 /nfs/dbraw/zinc/43/36/69/496433669.db2.gz KHXULUWBCGTTIR-UHFFFAOYSA-N 1 2 355.269 3.393 10 0 FGAELO C[C@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000157715149 496536841 /nfs/dbraw/zinc/53/68/41/496536841.db2.gz MTTHMORJVDHZJQ-NSHDSACASA-N 1 2 361.327 3.172 10 0 FGAELO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1nnnn1-c1c(C)cccc1C ZINC000157814223 496561120 /nfs/dbraw/zinc/56/11/20/496561120.db2.gz MQQMTNIFYFQMPG-HNNXBMFYSA-N 1 2 367.501 3.390 10 0 FGAELO Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173236128 496605407 /nfs/dbraw/zinc/60/54/07/496605407.db2.gz ZUSRVHYZKXYUTI-KGLIPLIRSA-N 1 2 367.453 3.469 10 0 FGAELO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c(C)n1CC(F)(F)F ZINC000173316038 496639850 /nfs/dbraw/zinc/63/98/50/496639850.db2.gz WAVTYLHSDFDLHV-MRXNPFEDSA-N 1 2 368.403 3.421 10 0 FGAELO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c(C)n1CC(F)(F)F ZINC000173316038 496639851 /nfs/dbraw/zinc/63/98/51/496639851.db2.gz WAVTYLHSDFDLHV-MRXNPFEDSA-N 1 2 368.403 3.421 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc3sc4c(c3c(N)n2)CCCC4)cn1 ZINC000173317269 496640861 /nfs/dbraw/zinc/64/08/61/496640861.db2.gz SOTXXAGPQZDGGC-AWEZNQCLSA-N 1 2 368.510 3.223 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc3sc4c(c3c(N)n2)CCCC4)cn1 ZINC000173317269 496640868 /nfs/dbraw/zinc/64/08/68/496640868.db2.gz SOTXXAGPQZDGGC-AWEZNQCLSA-N 1 2 368.510 3.223 10 0 FGAELO Cc1ccc(CCCC(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)s1 ZINC000176057064 496664304 /nfs/dbraw/zinc/66/43/04/496664304.db2.gz YGJYYPWFAOBZCE-UHFFFAOYSA-N 1 2 374.554 3.074 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)c(C)cc2Cl)nc[nH+]1 ZINC000182085708 496664752 /nfs/dbraw/zinc/66/47/52/496664752.db2.gz JPKKOSZHYJMOMT-AWEZNQCLSA-N 1 2 373.888 3.187 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)c2cc(C)c(C)cc2Cl)[nH+]cn1 ZINC000182085708 496664756 /nfs/dbraw/zinc/66/47/56/496664756.db2.gz JPKKOSZHYJMOMT-AWEZNQCLSA-N 1 2 373.888 3.187 10 0 FGAELO C[C@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173406012 496678885 /nfs/dbraw/zinc/67/88/85/496678885.db2.gz JVKQPJCHIPZNKH-LAUBAEHRSA-N 1 2 365.477 3.223 10 0 FGAELO C[C@H](NC(=O)CCOCC(F)(F)C(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000188437253 496789705 /nfs/dbraw/zinc/78/97/05/496789705.db2.gz XFAKRJXNPIROES-LBPRGKRZSA-N 1 2 373.350 3.357 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CCSc2ccc(OC)cc21 ZINC000191526088 496798133 /nfs/dbraw/zinc/79/81/33/496798133.db2.gz SJKYKLZGASKUTL-HUUCEWRRSA-N 1 2 360.483 3.095 10 0 FGAELO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195060138 496807973 /nfs/dbraw/zinc/80/79/73/496807973.db2.gz ZRKRUHKZQIPOBE-QGZVFWFLSA-N 1 2 355.507 3.353 10 0 FGAELO Cc1nc(Cc2ccccc2)sc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195060138 496807977 /nfs/dbraw/zinc/80/79/77/496807977.db2.gz ZRKRUHKZQIPOBE-QGZVFWFLSA-N 1 2 355.507 3.353 10 0 FGAELO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000195215967 496851764 /nfs/dbraw/zinc/85/17/64/496851764.db2.gz XUGMXQLGMOUUGF-PBHICJAKSA-N 1 2 361.404 3.256 10 0 FGAELO CCCCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000195215967 496851767 /nfs/dbraw/zinc/85/17/67/496851767.db2.gz XUGMXQLGMOUUGF-PBHICJAKSA-N 1 2 361.404 3.256 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)cn1 ZINC000191698757 496858601 /nfs/dbraw/zinc/85/86/01/496858601.db2.gz JYLPJWKHUNNXIL-KRWDZBQOSA-N 1 2 369.387 3.418 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CCO2)cn1 ZINC000191698757 496858607 /nfs/dbraw/zinc/85/86/07/496858607.db2.gz JYLPJWKHUNNXIL-KRWDZBQOSA-N 1 2 369.387 3.418 10 0 FGAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000247551223 496885899 /nfs/dbraw/zinc/88/58/99/496885899.db2.gz FAOOCRJYFKVJAD-DNVCBOLYSA-N 1 2 354.454 3.058 10 0 FGAELO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000247551223 496885904 /nfs/dbraw/zinc/88/59/04/496885904.db2.gz FAOOCRJYFKVJAD-DNVCBOLYSA-N 1 2 354.454 3.058 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)cs1 ZINC000247558996 496888966 /nfs/dbraw/zinc/88/89/66/496888966.db2.gz UMVFWVWCTLCTDO-RVKKMQEKSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C)C[C@@H]3C)CC2)cs1 ZINC000247558996 496888969 /nfs/dbraw/zinc/88/89/69/496888969.db2.gz UMVFWVWCTLCTDO-RVKKMQEKSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000195323756 496889151 /nfs/dbraw/zinc/88/91/51/496889151.db2.gz OOCKEGZQUOMZNW-LBPRGKRZSA-N 1 2 350.875 3.318 10 0 FGAELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Cl)cn3)C2)n1 ZINC000195323756 496889152 /nfs/dbraw/zinc/88/91/52/496889152.db2.gz OOCKEGZQUOMZNW-LBPRGKRZSA-N 1 2 350.875 3.318 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cs1 ZINC000247563627 496889572 /nfs/dbraw/zinc/88/95/72/496889572.db2.gz VFEWCTZWPRAOFV-HDMKZQKVSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)CC2)cs1 ZINC000247563627 496889579 /nfs/dbraw/zinc/88/95/79/496889579.db2.gz VFEWCTZWPRAOFV-HDMKZQKVSA-N 1 2 364.559 3.494 10 0 FGAELO O=C(C[N@@H+]1CCCC[C@H]1c1nccs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000195371159 496904099 /nfs/dbraw/zinc/90/40/99/496904099.db2.gz BGCPYLCAZFNNHL-STQMWFEESA-N 1 2 361.433 3.471 10 0 FGAELO O=C(C[N@H+]1CCCC[C@H]1c1nccs1)N1CCC[C@H](C(F)(F)F)C1 ZINC000195371159 496904101 /nfs/dbraw/zinc/90/41/01/496904101.db2.gz BGCPYLCAZFNNHL-STQMWFEESA-N 1 2 361.433 3.471 10 0 FGAELO Cc1csc([C@@H]2C[N@H+](CCCOc3ccc4c(c3)OCO4)CCO2)n1 ZINC000195395190 496911226 /nfs/dbraw/zinc/91/12/26/496911226.db2.gz DOQBMUCEMGLNOP-KRWDZBQOSA-N 1 2 362.451 3.023 10 0 FGAELO Cc1csc([C@@H]2C[N@@H+](CCCOc3ccc4c(c3)OCO4)CCO2)n1 ZINC000195395190 496911232 /nfs/dbraw/zinc/91/12/32/496911232.db2.gz DOQBMUCEMGLNOP-KRWDZBQOSA-N 1 2 362.451 3.023 10 0 FGAELO C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506430 496945515 /nfs/dbraw/zinc/94/55/15/496945515.db2.gz OLYNUGKYNKQQJT-LFPRZYRFSA-N 1 2 356.514 3.063 10 0 FGAELO CCn1cc(C2CC[NH+](Cc3noc(-c4ccc(OC)cc4)n3)CC2)cn1 ZINC000195513063 496947567 /nfs/dbraw/zinc/94/75/67/496947567.db2.gz MHBSJHZJFYBQQN-UHFFFAOYSA-N 1 2 367.453 3.341 10 0 FGAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)n1 ZINC000192004246 496960601 /nfs/dbraw/zinc/96/06/01/496960601.db2.gz CBHPGFDQHNLTNC-CYBMUJFWSA-N 1 2 364.877 3.173 10 0 FGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)C2CCCC2)c2cccs2)CCO1 ZINC000248332646 496979610 /nfs/dbraw/zinc/97/96/10/496979610.db2.gz FKEZDNFWBVXNBE-GDBMZVCRSA-N 1 2 351.516 3.094 10 0 FGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)C2CCCC2)c2cccs2)CCO1 ZINC000248332646 496979616 /nfs/dbraw/zinc/97/96/16/496979616.db2.gz FKEZDNFWBVXNBE-GDBMZVCRSA-N 1 2 351.516 3.094 10 0 FGAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CCO1 ZINC000248358173 496984149 /nfs/dbraw/zinc/98/41/49/496984149.db2.gz QLQKELJMMTURGT-XJKSGUPXSA-N 1 2 363.458 3.471 10 0 FGAELO C[C@H]1C[N@H+]([C@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CCO1 ZINC000248358173 496984151 /nfs/dbraw/zinc/98/41/51/496984151.db2.gz QLQKELJMMTURGT-XJKSGUPXSA-N 1 2 363.458 3.471 10 0 FGAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000192263572 497053936 /nfs/dbraw/zinc/05/39/36/497053936.db2.gz QPMZMJOOYQOPGK-QGZVFWFLSA-N 1 2 356.470 3.391 10 0 FGAELO CC[C@@H]1C(c2ccccc2)=[N+](O)[C@](C)(c2ccc(OC)c(OC)c2)N1O ZINC000225409972 497062046 /nfs/dbraw/zinc/06/20/46/497062046.db2.gz GVKIIOBTYGUUPC-OXQOHEQNSA-N 1 2 357.430 3.251 10 0 FGAELO Cc1ccc([C@H](CNC(=O)C[C@@H]2CCC[C@H]2C)[NH+]2CCOCC2)s1 ZINC000248902513 497131667 /nfs/dbraw/zinc/13/16/67/497131667.db2.gz AMOIWUIFGINELG-PVAVHDDUSA-N 1 2 350.528 3.372 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)cs1 ZINC000192529991 497141817 /nfs/dbraw/zinc/14/18/17/497141817.db2.gz KWNCPRLSGYNAHR-GOSISDBHSA-N 1 2 370.522 3.001 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCc4cccnc43)CC2)cs1 ZINC000192529991 497141821 /nfs/dbraw/zinc/14/18/21/497141821.db2.gz KWNCPRLSGYNAHR-GOSISDBHSA-N 1 2 370.522 3.001 10 0 FGAELO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCCO2)c1nnnn1C1CCCCC1 ZINC000189740598 497228384 /nfs/dbraw/zinc/22/83/84/497228384.db2.gz UFROPGUORCMMLC-KBPBESRZSA-N 1 2 357.458 3.361 10 0 FGAELO O[C@@H](C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000249874616 497254435 /nfs/dbraw/zinc/25/44/35/497254435.db2.gz LDWSARUGQZVBHA-IRXDYDNUSA-N 1 2 362.424 3.153 10 0 FGAELO O[C@@H](C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000249874616 497254440 /nfs/dbraw/zinc/25/44/40/497254440.db2.gz LDWSARUGQZVBHA-IRXDYDNUSA-N 1 2 362.424 3.153 10 0 FGAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCN1C ZINC000275209241 497255227 /nfs/dbraw/zinc/25/52/27/497255227.db2.gz AINJPWTZHRWOPQ-CQSZACIVSA-N 1 2 368.268 3.248 10 0 FGAELO CC[C@@H]1[C@@H](C)CCN1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000251682529 497281100 /nfs/dbraw/zinc/28/11/00/497281100.db2.gz NQCBOFPDOWKWEK-USXIJHARSA-N 1 2 365.543 3.260 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000245200961 497375944 /nfs/dbraw/zinc/37/59/44/497375944.db2.gz NGESMFINGKPFDJ-KGLIPLIRSA-N 1 2 351.878 3.048 10 0 FGAELO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000245200961 497375949 /nfs/dbraw/zinc/37/59/49/497375949.db2.gz NGESMFINGKPFDJ-KGLIPLIRSA-N 1 2 351.878 3.048 10 0 FGAELO Cc1cnn([C@H]2CCC[N@H+](Cc3ccn(-c4ccc(F)cc4F)n3)C2)c1 ZINC000190222160 497404960 /nfs/dbraw/zinc/40/49/60/497404960.db2.gz DMVUUFNGPBZDGX-KRWDZBQOSA-N 1 2 357.408 3.493 10 0 FGAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccn(-c4ccc(F)cc4F)n3)C2)c1 ZINC000190222160 497404964 /nfs/dbraw/zinc/40/49/64/497404964.db2.gz DMVUUFNGPBZDGX-KRWDZBQOSA-N 1 2 357.408 3.493 10 0 FGAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245517792 497438657 /nfs/dbraw/zinc/43/86/57/497438657.db2.gz RRGNFFAHUKHXQA-IXFSTUDKSA-N 1 2 364.489 3.426 10 0 FGAELO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000245517792 497438661 /nfs/dbraw/zinc/43/86/61/497438661.db2.gz RRGNFFAHUKHXQA-IXFSTUDKSA-N 1 2 364.489 3.426 10 0 FGAELO COc1c(C[N@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C)nn1C ZINC000245540806 497445372 /nfs/dbraw/zinc/44/53/72/497445372.db2.gz MZNBTDUJDLCFLP-CVEARBPZSA-N 1 2 370.280 3.134 10 0 FGAELO COc1c(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(C)nn1C ZINC000245540806 497445378 /nfs/dbraw/zinc/44/53/78/497445378.db2.gz MZNBTDUJDLCFLP-CVEARBPZSA-N 1 2 370.280 3.134 10 0 FGAELO C[C@@H](C[N@@H+]1CCO[C@@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000245789295 497539412 /nfs/dbraw/zinc/53/94/12/497539412.db2.gz VVSDTYFLTRTUBT-WMLDXEAASA-N 1 2 364.287 3.150 10 0 FGAELO C[C@@H](C[N@H+]1CCO[C@@H](Cn2cccn2)C1)c1cccc(Br)c1 ZINC000245789295 497539416 /nfs/dbraw/zinc/53/94/16/497539416.db2.gz VVSDTYFLTRTUBT-WMLDXEAASA-N 1 2 364.287 3.150 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)no1 ZINC000245872159 497554701 /nfs/dbraw/zinc/55/47/01/497554701.db2.gz WMPGRRFMYGDVNW-TZMCWYRMSA-N 1 2 362.861 3.313 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3Cl)C2)no1 ZINC000245872159 497554707 /nfs/dbraw/zinc/55/47/07/497554707.db2.gz WMPGRRFMYGDVNW-TZMCWYRMSA-N 1 2 362.861 3.313 10 0 FGAELO O=C(NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262912888 497654075 /nfs/dbraw/zinc/65/40/75/497654075.db2.gz 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C[C@@H](CNC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1)[NH+]1CCOCC1 ZINC000101786350 495098725 /nfs/dbraw/zinc/09/87/25/495098725.db2.gz BQUNEEUHFZYDRL-LBPRGKRZSA-N 1 2 374.312 3.248 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)s1 ZINC000111716447 495099911 /nfs/dbraw/zinc/09/99/11/495099911.db2.gz HMBSLBNAVCGTON-UHFFFAOYSA-N 1 2 352.410 3.079 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)c3ccc(C)cc3)CC2)s1 ZINC000111833629 495117947 /nfs/dbraw/zinc/11/79/47/495117947.db2.gz QWUMKSLLOVHSRF-OAHLLOKOSA-N 1 2 358.511 3.348 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cnc(-c3ccccn3)s1)C2 ZINC000112664701 495219609 /nfs/dbraw/zinc/21/96/09/495219609.db2.gz ZQJZRDWPKHRSQJ-UHFFFAOYSA-N 1 2 367.478 3.261 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)/C=C/c1cnc3ccccc3n1)C2 ZINC000112664523 495219758 /nfs/dbraw/zinc/21/97/58/495219758.db2.gz IGAVHIMQOOQBSN-CMDGGOBGSA-N 1 2 361.449 3.085 10 0 FGAELO CCOc1ccc(CCC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000112670343 495220783 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C[C@@H]1C[N@H+]([C@@H](CNC(=O)N(C)CC2CCCC2)c2cccs2)CCO1 ZINC000175028578 496215847 /nfs/dbraw/zinc/21/58/47/496215847.db2.gz WPIZBXQSAHFBOH-WBVHZDCISA-N 1 2 365.543 3.342 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CCO1 ZINC000175033751 496219058 /nfs/dbraw/zinc/21/90/58/496219058.db2.gz QLQKELJMMTURGT-BBRMVZONSA-N 1 2 363.458 3.471 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)Nc2ccc(F)cc2)c2cccs2)CCO1 ZINC000175033751 496219063 /nfs/dbraw/zinc/21/90/63/496219063.db2.gz QLQKELJMMTURGT-BBRMVZONSA-N 1 2 363.458 3.471 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000177855435 496224690 /nfs/dbraw/zinc/22/46/90/496224690.db2.gz WDULOPBIKTYKPE-MRXNPFEDSA-N 1 2 356.401 3.448 10 0 FGAELO COc1cccc(OC)c1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175053229 496228254 /nfs/dbraw/zinc/22/82/54/496228254.db2.gz QACYJWWBIJMDFJ-CQSZACIVSA-N 1 2 351.406 3.381 10 0 FGAELO O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000156660454 496305362 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FGAELO Cc1cc(F)cc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000153413873 496447206 /nfs/dbraw/zinc/44/72/06/496447206.db2.gz ONNIGMSFOOTJGI-AWEZNQCLSA-N 1 2 366.396 3.136 10 0 FGAELO Cc1nc(N2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)sc1C ZINC000157472677 496483510 /nfs/dbraw/zinc/48/35/10/496483510.db2.gz YANHSLUTAIXEKU-JKSUJKDBSA-N 1 2 372.538 3.148 10 0 FGAELO COc1cccc(Cl)c1CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000153644565 496530964 /nfs/dbraw/zinc/53/09/64/496530964.db2.gz SZWSRGZVBPIZEU-UHFFFAOYSA-N 1 2 361.873 3.333 10 0 FGAELO Cc1cc(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1C(N)=O ZINC000173082585 496543569 /nfs/dbraw/zinc/54/35/69/496543569.db2.gz ZOQKVMWVURKFBU-CQSZACIVSA-N 1 2 363.421 3.162 10 0 FGAELO C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000163786117 496558214 /nfs/dbraw/zinc/55/82/14/496558214.db2.gz YBVJTKXSDQTSTB-AABGKKOBSA-N 1 2 366.546 3.075 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](c3ccccc3)C3CC3)CC2)s1 ZINC000153853401 496602489 /nfs/dbraw/zinc/60/24/89/496602489.db2.gz LXVXZISKYCXZIA-IBGZPJMESA-N 1 2 355.507 3.290 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nc3cc(Br)ccc3[nH]2)cn1 ZINC000184965075 496603121 /nfs/dbraw/zinc/60/31/21/496603121.db2.gz PGAAUKJWZHMZAL-HNNXBMFYSA-N 1 2 360.259 3.396 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nc3cc(Br)ccc3[nH]2)cn1 ZINC000184965075 496603125 /nfs/dbraw/zinc/60/31/25/496603125.db2.gz PGAAUKJWZHMZAL-HNNXBMFYSA-N 1 2 360.259 3.396 10 0 FGAELO Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173236140 496605974 /nfs/dbraw/zinc/60/59/74/496605974.db2.gz ZUSRVHYZKXYUTI-KBPBESRZSA-N 1 2 367.453 3.469 10 0 FGAELO CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178908762 496613352 /nfs/dbraw/zinc/61/33/52/496613352.db2.gz NTKNEMBNTANCTO-DNVCBOLYSA-N 1 2 361.388 3.354 10 0 FGAELO CC(=O)c1ccccc1OCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000178908762 496613355 /nfs/dbraw/zinc/61/33/55/496613355.db2.gz NTKNEMBNTANCTO-DNVCBOLYSA-N 1 2 361.388 3.354 10 0 FGAELO CC(C)Oc1ccc(CN2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1Cl ZINC000187934382 496623601 /nfs/dbraw/zinc/62/36/01/496623601.db2.gz SHKZWCVZJZVCQK-YJBOKZPZSA-N 1 2 352.906 3.280 10 0 FGAELO Cc1ccc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C(N)=O ZINC000175996419 496636757 /nfs/dbraw/zinc/63/67/57/496636757.db2.gz AMLDKRURQALYDZ-AWEZNQCLSA-N 1 2 363.421 3.162 10 0 FGAELO CCn1cnnc1C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000173340081 496649148 /nfs/dbraw/zinc/64/91/48/496649148.db2.gz KFPNUBGOJGLDLA-UHFFFAOYSA-N 1 2 360.412 3.422 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@H](C)Oc1cccc(F)c1)C2 ZINC000176097534 496680917 /nfs/dbraw/zinc/68/09/17/496680917.db2.gz KLWLGZKENHBGSF-AWEZNQCLSA-N 1 2 374.460 3.218 10 0 FGAELO Fc1cc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1Cl ZINC000179215874 496714876 /nfs/dbraw/zinc/71/48/76/496714876.db2.gz VPHAENZUNVLXLK-UHFFFAOYSA-N 1 2 364.852 3.447 10 0 FGAELO Fc1cc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)ccc1Cl ZINC000179215874 496714879 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CCn1cc([C@H]2C[N@@H+](Cc3ccccc3Br)CCO2)cn1 ZINC000191701751 496859280 /nfs/dbraw/zinc/85/92/80/496859280.db2.gz WPVWGIYNQOBOAI-MRXNPFEDSA-N 1 2 350.260 3.239 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CCO2)cn1 ZINC000191707683 496862039 /nfs/dbraw/zinc/86/20/39/496862039.db2.gz AKKNUGHJLZYSIV-IBGZPJMESA-N 1 2 371.872 3.316 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)CCO2)cn1 ZINC000191707683 496862045 /nfs/dbraw/zinc/86/20/45/496862045.db2.gz AKKNUGHJLZYSIV-IBGZPJMESA-N 1 2 371.872 3.316 10 0 FGAELO CCc1cc(N2CCC(c3nncn3CC)CC2)nc(-c2ccncc2)[nH+]1 ZINC000264554329 496928834 /nfs/dbraw/zinc/92/88/34/496928834.db2.gz KUOLTDNXBZVYEN-UHFFFAOYSA-N 1 2 363.469 3.096 10 0 FGAELO CCN(C(C)=O)c1nc(C[NH+]2CCC(c3cnn(CC)c3)CC2)cs1 ZINC000195499685 496940831 /nfs/dbraw/zinc/94/08/31/496940831.db2.gz IHOWIXFFWYRXGP-UHFFFAOYSA-N 1 2 361.515 3.112 10 0 FGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)CC2CCCC2)c2cccs2)CCO1 ZINC000248369719 496984741 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Cc1cccc(Oc2ccccc2NC(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000105280678 495351891 /nfs/dbraw/zinc/35/18/91/495351891.db2.gz DAFAELWVDDHEFR-KRWDZBQOSA-N 1 2 355.438 3.239 10 0 FGAELO Cc1cccc(Oc2ccccc2NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000105280678 495351893 /nfs/dbraw/zinc/35/18/93/495351893.db2.gz DAFAELWVDDHEFR-KRWDZBQOSA-N 1 2 355.438 3.239 10 0 FGAELO Cc1cc(C)n(C[C@@H]2CN(c3cc(C)[nH+]c4c(F)cccc34)CCO2)n1 ZINC000124887452 495360054 /nfs/dbraw/zinc/36/00/54/495360054.db2.gz BUYPBFGLAZDLHD-INIZCTEOSA-N 1 2 354.429 3.401 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3cn(-c4ccccc4)nc3C)CC2)s1 ZINC000120428528 495376421 /nfs/dbraw/zinc/37/64/21/495376421.db2.gz DGQQRUZRKZGYOD-UHFFFAOYSA-N 1 2 367.522 3.263 10 0 FGAELO Cc1ncc(CN2CC[NH+](Cc3cn(-c4ccccc4)nc3C)CC2)s1 ZINC000120428528 495376426 /nfs/dbraw/zinc/37/64/26/495376426.db2.gz DGQQRUZRKZGYOD-UHFFFAOYSA-N 1 2 367.522 3.263 10 0 FGAELO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482874 495383734 /nfs/dbraw/zinc/38/37/34/495383734.db2.gz LILXBNKKLWPNRU-QGZVFWFLSA-N 1 2 364.852 3.388 10 0 FGAELO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482874 495383739 /nfs/dbraw/zinc/38/37/39/495383739.db2.gz LILXBNKKLWPNRU-QGZVFWFLSA-N 1 2 364.852 3.388 10 0 FGAELO C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(Nc2cccnn2)CC1 ZINC000106081632 495411329 /nfs/dbraw/zinc/41/13/29/495411329.db2.gz LDIGGJOYCVNSHF-CYBMUJFWSA-N 1 2 359.861 3.034 10 0 FGAELO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000114706346 495412900 /nfs/dbraw/zinc/41/29/00/495412900.db2.gz XEROYQNEEJBZHJ-OLMNPRSZSA-N 1 2 371.431 3.369 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3coc(-c4cccs4)n3)CC2)s1 ZINC000106091351 495413236 /nfs/dbraw/zinc/41/32/36/495413236.db2.gz ATUVXOZMFOCLKN-UHFFFAOYSA-N 1 2 360.508 3.486 10 0 FGAELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)n1 ZINC000106136599 495418049 /nfs/dbraw/zinc/41/80/49/495418049.db2.gz LBNYXWKODXAYOY-CYBMUJFWSA-N 1 2 366.412 3.112 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3nc(COc4ccc(F)cc4)no3)C2)c1 ZINC000106222068 495436151 /nfs/dbraw/zinc/43/61/51/495436151.db2.gz VTNKHUHZCDYUOU-MRXNPFEDSA-N 1 2 371.416 3.130 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3nc(COc4ccc(F)cc4)no3)C2)c1 ZINC000106222068 495436157 /nfs/dbraw/zinc/43/61/57/495436157.db2.gz VTNKHUHZCDYUOU-MRXNPFEDSA-N 1 2 371.416 3.130 10 0 FGAELO C[C@H](CNC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000125395586 495437738 /nfs/dbraw/zinc/43/77/38/495437738.db2.gz JENRPOYTWFYMCA-MSOLQXFVSA-N 1 2 359.514 3.280 10 0 FGAELO Cc1cnn([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3OC(F)F)C2)c1 ZINC000106225533 495439188 /nfs/dbraw/zinc/43/91/88/495439188.db2.gz PZYVIWAXPIFSSM-AWEZNQCLSA-N 1 2 364.396 3.069 10 0 FGAELO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C2)c1 ZINC000106225533 495439192 /nfs/dbraw/zinc/43/91/92/495439192.db2.gz PZYVIWAXPIFSSM-AWEZNQCLSA-N 1 2 364.396 3.069 10 0 FGAELO CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106373770 495450449 /nfs/dbraw/zinc/45/04/49/495450449.db2.gz OPJURLCKYGGZRA-CQSZACIVSA-N 1 2 368.481 3.131 10 0 FGAELO CCOc1ccc(NC(=O)[C@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106372752 495450771 /nfs/dbraw/zinc/45/07/71/495450771.db2.gz YWOSCIYJUFPJQM-HNNXBMFYSA-N 1 2 370.497 3.328 10 0 FGAELO C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000106907222 495510267 /nfs/dbraw/zinc/51/02/67/495510267.db2.gz HJGUPNIIRDKKQX-MRXNPFEDSA-N 1 2 369.856 3.237 10 0 FGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1cccc(Cl)c1 ZINC000107075474 495521914 /nfs/dbraw/zinc/52/19/14/495521914.db2.gz HQQPJMDBPXXKKL-UHFFFAOYSA-N 1 2 369.874 3.061 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H](C)c2ccccc2C)nc[nH+]1 ZINC000173448119 495533748 /nfs/dbraw/zinc/53/37/48/495533748.db2.gz WITXVZHLNCINKG-IAGOWNOFSA-N 1 2 367.497 3.106 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H](C)c2ccccc2C)[nH+]cn1 ZINC000173448119 495533752 /nfs/dbraw/zinc/53/37/52/495533752.db2.gz WITXVZHLNCINKG-IAGOWNOFSA-N 1 2 367.497 3.106 10 0 FGAELO CC(C)Cc1nsc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)n1 ZINC000185374733 495554742 /nfs/dbraw/zinc/55/47/42/495554742.db2.gz BTCCAYILDUXJEI-AWEZNQCLSA-N 1 2 366.556 3.308 10 0 FGAELO Cc1nc(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)C)cc3)CC2)cc[nH+]1 ZINC000185417387 495569704 /nfs/dbraw/zinc/56/97/04/495569704.db2.gz TTXMATAABQRGQP-UXHICEINSA-N 1 2 364.493 3.361 10 0 FGAELO O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000158796586 495591031 /nfs/dbraw/zinc/59/10/31/495591031.db2.gz HIACXTQGXVOQEU-LEWJYISDSA-N 1 2 356.510 3.351 10 0 FGAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000182507183 495591463 /nfs/dbraw/zinc/59/14/63/495591463.db2.gz GMKJWKJNFDAOHK-NUJGCVRESA-N 1 2 358.507 3.430 10 0 FGAELO C[C@@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC000182507183 495591466 /nfs/dbraw/zinc/59/14/66/495591466.db2.gz GMKJWKJNFDAOHK-NUJGCVRESA-N 1 2 358.507 3.430 10 0 FGAELO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173622945 495619873 /nfs/dbraw/zinc/61/98/73/495619873.db2.gz ORAXXTTWVXYMDK-CHWSQXEVSA-N 1 2 361.877 3.254 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)CCO2)[nH]1 ZINC000173674020 495642182 /nfs/dbraw/zinc/64/21/82/495642182.db2.gz CSVOWJLVGJGRKW-HXUWFJFHSA-N 1 2 364.449 3.266 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)CCO2)[nH]1 ZINC000173674020 495642185 /nfs/dbraw/zinc/64/21/85/495642185.db2.gz CSVOWJLVGJGRKW-HXUWFJFHSA-N 1 2 364.449 3.266 10 0 FGAELO CCc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000159054606 495645858 /nfs/dbraw/zinc/64/58/58/495645858.db2.gz SXUQWLUPBQHPJJ-QGZVFWFLSA-N 1 2 352.482 3.232 10 0 FGAELO C[C@H](NC[C@@H]1C[N@H+](C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936651 495687116 /nfs/dbraw/zinc/68/71/16/495687116.db2.gz OQDQVKYHAXQPLB-CMPLNLGQSA-N 1 2 371.268 3.025 10 0 FGAELO C[C@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936651 495687120 /nfs/dbraw/zinc/68/71/20/495687120.db2.gz OQDQVKYHAXQPLB-CMPLNLGQSA-N 1 2 371.268 3.025 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc2c1CCC2 ZINC000176537889 495688670 /nfs/dbraw/zinc/68/86/70/495688670.db2.gz YEMNYKFFSOAIND-LJQANCHMSA-N 1 2 370.518 3.382 10 0 FGAELO C[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176541732 495691775 /nfs/dbraw/zinc/69/17/75/495691775.db2.gz MRMSAHQHGHBDGS-IEBWSBKVSA-N 1 2 372.534 3.459 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2ccc3[nH]ccc3c2)[NH+]2CCOCC2)s1 ZINC000176549352 495694437 /nfs/dbraw/zinc/69/44/37/495694437.db2.gz KDZDNOCJKZDAHO-GOSISDBHSA-N 1 2 369.490 3.341 10 0 FGAELO CC(C)CNC(=O)c1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000171058077 495707158 /nfs/dbraw/zinc/70/71/58/495707158.db2.gz TVDNFHMLWWOBPF-QGZVFWFLSA-N 1 2 359.495 3.102 10 0 FGAELO CC(C)CNC(=O)c1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000171058077 495707162 /nfs/dbraw/zinc/70/71/62/495707162.db2.gz TVDNFHMLWWOBPF-QGZVFWFLSA-N 1 2 359.495 3.102 10 0 FGAELO O=S(=O)(c1ccccc1-c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000173835612 495712511 /nfs/dbraw/zinc/71/25/11/495712511.db2.gz CJUNPKKWDBKLAN-GOSISDBHSA-N 1 2 367.474 3.403 10 0 FGAELO COCc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000176596023 495714411 /nfs/dbraw/zinc/71/44/11/495714411.db2.gz MXVOBCBDUFKWOG-QAPCUYQASA-N 1 2 374.506 3.086 10 0 FGAELO COCc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc1 ZINC000176596023 495714415 /nfs/dbraw/zinc/71/44/15/495714415.db2.gz MXVOBCBDUFKWOG-QAPCUYQASA-N 1 2 374.506 3.086 10 0 FGAELO CSc1ccc(Cl)cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173893293 495735110 /nfs/dbraw/zinc/73/51/10/495735110.db2.gz BOUPXTJLOHOXJM-CYBMUJFWSA-N 1 2 355.891 3.000 10 0 FGAELO Cc1c(Cl)cc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000173895082 495736056 /nfs/dbraw/zinc/73/60/56/495736056.db2.gz ZSZFVWVVXKPKDM-ZDUSSCGKSA-N 1 2 358.269 3.240 10 0 FGAELO CC(C)(C)c1nc2cc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)ccc2o1 ZINC000173902824 495740249 /nfs/dbraw/zinc/74/02/49/495740249.db2.gz BPAZAOYOVULITP-HNNXBMFYSA-N 1 2 372.469 3.064 10 0 FGAELO COc1cccc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1OC ZINC000173916120 495745363 /nfs/dbraw/zinc/74/53/63/495745363.db2.gz FMMDPJMZVASRAN-CQSZACIVSA-N 1 2 351.406 3.381 10 0 FGAELO CCOc1ccc(-c2nc(CN3CC[C@H]([NH+]4CCOCC4)C3)cs2)cc1 ZINC000173926304 495750145 /nfs/dbraw/zinc/75/01/45/495750145.db2.gz PTXKHJCFJSBWPF-SFHVURJKSA-N 1 2 373.522 3.115 10 0 FGAELO Cc1nn(C)c(C)c1C[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173932508 495752718 /nfs/dbraw/zinc/75/27/18/495752718.db2.gz PYZCYTRNGABXEP-GJZGRUSLSA-N 1 2 365.481 3.279 10 0 FGAELO C[C@H](NC(=O)c1cc2ccccc2c(=O)[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173939762 495755911 /nfs/dbraw/zinc/75/59/11/495755911.db2.gz UFICQEKCQUUSOK-AWEZNQCLSA-N 1 2 358.401 3.205 10 0 FGAELO C[C@@H](NS(=O)(=O)c1cccc(F)c1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173966426 495767410 /nfs/dbraw/zinc/76/74/10/495767410.db2.gz SWHSIUXAUDMUED-GFCCVEGCSA-N 1 2 363.389 3.190 10 0 FGAELO CC(C)[C@@H](NC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C)c1ccccc1 ZINC000176883472 495825508 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Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H](C)c3ccccc3)CC2)s1 ZINC000176467496 495659885 /nfs/dbraw/zinc/65/98/85/495659885.db2.gz NXWFTAXMMYSIIV-JKSUJKDBSA-N 1 2 372.538 3.471 10 0 FGAELO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000170941039 495661070 /nfs/dbraw/zinc/66/10/70/495661070.db2.gz RIJDSKMCLGYKPV-UHFFFAOYSA-N 1 2 363.465 3.050 10 0 FGAELO CS(=O)(=O)[C@H]1CCCC[C@@H]1Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000179620922 495663301 /nfs/dbraw/zinc/66/33/01/495663301.db2.gz JQKFEHNLXFEMLI-HOCLYGCPSA-N 1 2 353.875 3.293 10 0 FGAELO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(Cl)s1 ZINC000159141517 495668591 /nfs/dbraw/zinc/66/85/91/495668591.db2.gz HVFWZGMRPHBFBT-ZDUSSCGKSA-N 1 2 364.902 3.385 10 0 FGAELO O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173778909 495688940 /nfs/dbraw/zinc/68/89/40/495688940.db2.gz OBJCJDPDCHRZGI-IBGZPJMESA-N 1 2 363.461 3.196 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc2c(c1)CCC2 ZINC000176539929 495689636 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Cc1ccc(F)cc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000176593161 495713095 /nfs/dbraw/zinc/71/30/95/495713095.db2.gz LGYXSDYUQQZBRP-PBHICJAKSA-N 1 2 362.470 3.387 10 0 FGAELO Cc1ccc(F)cc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000176593161 495713098 /nfs/dbraw/zinc/71/30/98/495713098.db2.gz LGYXSDYUQQZBRP-PBHICJAKSA-N 1 2 362.470 3.387 10 0 FGAELO CCCc1sc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1CC ZINC000173840989 495715037 /nfs/dbraw/zinc/71/50/37/495715037.db2.gz OUURWDXJAWPYHO-GDBMZVCRSA-N 1 2 350.528 3.056 10 0 FGAELO CCn1cc[nH+]c1C[S@@](=O)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000179769244 495728168 /nfs/dbraw/zinc/72/81/68/495728168.db2.gz DRUSNSZXFWXQLH-SANMLTNESA-N 1 2 372.469 3.165 10 0 FGAELO CC(C)[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1Cl ZINC000173886822 495732131 /nfs/dbraw/zinc/73/21/31/495732131.db2.gz ZNODTYQISBJCFD-YJBOKZPZSA-N 1 2 365.905 3.153 10 0 FGAELO C[C@@H](NC(=O)c1cccnc1N1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920073 495747397 /nfs/dbraw/zinc/74/73/97/495747397.db2.gz JVKFHOZKPCEJCS-MRXNPFEDSA-N 1 2 361.449 3.359 10 0 FGAELO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2-c2ccccc2)cc1OC ZINC000173948938 495759403 /nfs/dbraw/zinc/75/94/03/495759403.db2.gz HNSGFNWTLISSQR-KGLIPLIRSA-N 1 2 353.426 3.091 10 0 FGAELO COc1cccc(CS(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173967550 495767516 /nfs/dbraw/zinc/76/75/16/495767516.db2.gz GHEQARMTDRLFID-HNNXBMFYSA-N 1 2 371.462 3.062 10 0 FGAELO C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1cccc(-n2cc[nH+]c2)c1 ZINC000173964964 495768230 /nfs/dbraw/zinc/76/82/30/495768230.db2.gz LVIZZQOBIPVOOQ-CQSZACIVSA-N 1 2 359.426 3.192 10 0 FGAELO Cc1ccccc1CS(=O)(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173967213 495768246 /nfs/dbraw/zinc/76/82/46/495768246.db2.gz AFRQTXYEIPPVOY-INIZCTEOSA-N 1 2 355.463 3.361 10 0 FGAELO C[C@@H](Oc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000151310342 495801200 /nfs/dbraw/zinc/80/12/00/495801200.db2.gz PVEKFLYEECNLCV-AEFFLSMTSA-N 1 2 369.465 3.279 10 0 FGAELO C[C@@H](Oc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000151310342 495801203 /nfs/dbraw/zinc/80/12/03/495801203.db2.gz PVEKFLYEECNLCV-AEFFLSMTSA-N 1 2 369.465 3.279 10 0 FGAELO C[C@@H]1CCC[C@@H]1CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000185971620 495804190 /nfs/dbraw/zinc/80/41/90/495804190.db2.gz KYNMWNZWTHQJDE-ZACQAIPSSA-N 1 2 350.528 3.406 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](CCCOc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097785 495819347 /nfs/dbraw/zinc/81/93/47/495819347.db2.gz MQGIOZVRFGGGGT-GOSISDBHSA-N 1 2 358.486 3.253 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097785 495819354 /nfs/dbraw/zinc/81/93/54/495819354.db2.gz MQGIOZVRFGGGGT-GOSISDBHSA-N 1 2 358.486 3.253 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1)c1ccccc1 ZINC000186023416 495825120 /nfs/dbraw/zinc/82/51/20/495825120.db2.gz FBZXDRAGWNJEOQ-STQMWFEESA-N 1 2 356.388 3.096 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000176889515 495829394 /nfs/dbraw/zinc/82/93/94/495829394.db2.gz BCYDJAFSTGBQHN-SGANQWHYSA-N 1 2 359.495 3.081 10 0 FGAELO Clc1cccc(N2CCCC2)c1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180128267 495870350 /nfs/dbraw/zinc/87/03/50/495870350.db2.gz WIQQDAAHQYSIOG-INIZCTEOSA-N 1 2 360.889 3.038 10 0 FGAELO Clc1cccc(N2CCCC2)c1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000180128267 495870352 /nfs/dbraw/zinc/87/03/52/495870352.db2.gz WIQQDAAHQYSIOG-INIZCTEOSA-N 1 2 360.889 3.038 10 0 FGAELO C[C@@H](CNC(=O)N[C@@H](C)c1cc(Cl)ccc1Cl)[NH+]1CCOCC1 ZINC000186165142 495880100 /nfs/dbraw/zinc/88/01/00/495880100.db2.gz UCJZITKIXXUHHN-RYUDHWBXSA-N 1 2 360.285 3.074 10 0 FGAELO COC(=O)c1cccc(OCC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000174247424 495881170 /nfs/dbraw/zinc/88/11/70/495881170.db2.gz YNLYIQFAGDCKAR-UHFFFAOYSA-N 1 2 371.437 3.172 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(Cl)c2C)nc[nH+]1 ZINC000174268026 495888532 /nfs/dbraw/zinc/88/85/32/495888532.db2.gz ZNAHKLRSHYNSIG-ZDUSSCGKSA-N 1 2 374.876 3.271 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(Cl)c2C)[nH+]cn1 ZINC000174268026 495888535 /nfs/dbraw/zinc/88/85/35/495888535.db2.gz ZNAHKLRSHYNSIG-ZDUSSCGKSA-N 1 2 374.876 3.271 10 0 FGAELO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000171525122 495913681 /nfs/dbraw/zinc/91/36/81/495913681.db2.gz AVYVMDNTGAXXQJ-OAHLLOKOSA-N 1 2 355.467 3.247 10 0 FGAELO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)cs1 ZINC000171525122 495913687 /nfs/dbraw/zinc/91/36/87/495913687.db2.gz AVYVMDNTGAXXQJ-OAHLLOKOSA-N 1 2 355.467 3.247 10 0 FGAELO O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665498 495979910 /nfs/dbraw/zinc/97/99/10/495979910.db2.gz UHOSJRZUZZJTEN-MJGOQNOKSA-N 1 2 370.474 3.110 10 0 FGAELO O[C@@H](COc1ccc2ccccc2c1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665498 495979919 /nfs/dbraw/zinc/97/99/19/495979919.db2.gz UHOSJRZUZZJTEN-MJGOQNOKSA-N 1 2 370.474 3.110 10 0 FGAELO Cc1ccc(-c2nc(CN3C[C@H](C)[C@H]([NH+]4CCOCC4)C3)cs2)cc1 ZINC000177241201 495991335 /nfs/dbraw/zinc/99/13/35/495991335.db2.gz XQQQUMOTUXZJPH-QFBILLFUSA-N 1 2 357.523 3.271 10 0 FGAELO COc1ccc(CC[C@@H](C)NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177457341 496068226 /nfs/dbraw/zinc/06/82/26/496068226.db2.gz CLBKACIPFIDZLP-SJLPKXTDSA-N 1 2 356.470 3.087 10 0 FGAELO O=C(NCc1ccc(Br)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177502887 496088676 /nfs/dbraw/zinc/08/86/76/496088676.db2.gz MVINYJWXQSWLQX-OAHLLOKOSA-N 1 2 363.259 3.020 10 0 FGAELO CC(C)[C@H](C)CNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000174915444 496162551 /nfs/dbraw/zinc/16/25/51/496162551.db2.gz AJXUMFMRBYNYLL-HZPDHXFCSA-N 1 2 353.532 3.055 10 0 FGAELO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000172111965 496169315 /nfs/dbraw/zinc/16/93/15/496169315.db2.gz XFXMGUUUHZHSQE-MOPGFXCFSA-N 1 2 369.465 3.200 10 0 FGAELO CC(C)CCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000174979285 496191697 /nfs/dbraw/zinc/19/16/97/496191697.db2.gz AEWKJRYJDZGNKA-GOSISDBHSA-N 1 2 361.486 3.050 10 0 FGAELO Cc1ccc2c(c1)[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H](C)C2 ZINC000180904484 496192962 /nfs/dbraw/zinc/19/29/62/496192962.db2.gz VYYCUZFCOYSDHO-DNVCBOLYSA-N 1 2 361.449 3.308 10 0 FGAELO CC(C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000172269957 496236566 /nfs/dbraw/zinc/23/65/66/496236566.db2.gz VLJIYXMZUIILJQ-VQTJNVASSA-N 1 2 354.498 3.493 10 0 FGAELO CC(C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000172269957 496236575 /nfs/dbraw/zinc/23/65/75/496236575.db2.gz VLJIYXMZUIILJQ-VQTJNVASSA-N 1 2 354.498 3.493 10 0 FGAELO CC(C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000172269953 496236750 /nfs/dbraw/zinc/23/67/50/496236750.db2.gz VLJIYXMZUIILJQ-WOJBJXKFSA-N 1 2 354.498 3.493 10 0 FGAELO CC(C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000172269953 496236758 /nfs/dbraw/zinc/23/67/58/496236758.db2.gz VLJIYXMZUIILJQ-WOJBJXKFSA-N 1 2 354.498 3.493 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000181005167 496237997 /nfs/dbraw/zinc/23/79/97/496237997.db2.gz SRPOFJSHJXOENV-MRXNPFEDSA-N 1 2 354.410 3.435 10 0 FGAELO CC(C)Cc1ccc(CCCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000156515072 496266962 /nfs/dbraw/zinc/26/69/62/496266962.db2.gz XHADZWGWGRKACK-NRFANRHFSA-N 1 2 358.526 3.141 10 0 FGAELO CCc1nc(C2([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)CCCC2)no1 ZINC000187181178 496327599 /nfs/dbraw/zinc/32/75/99/496327599.db2.gz FTAMPKGKPLQUFK-UHFFFAOYSA-N 1 2 354.454 3.100 10 0 FGAELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC000187245016 496358286 /nfs/dbraw/zinc/35/82/86/496358286.db2.gz IGOCNZUJUJKSIY-UHFFFAOYSA-N 1 2 367.472 3.486 10 0 FGAELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC000187245016 496358291 /nfs/dbraw/zinc/35/82/91/496358291.db2.gz IGOCNZUJUJKSIY-UHFFFAOYSA-N 1 2 367.472 3.486 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cnn(Cc3ccc(F)cc3)c1)C2 ZINC000187245016 496358297 /nfs/dbraw/zinc/35/82/97/496358297.db2.gz IGOCNZUJUJKSIY-UHFFFAOYSA-N 1 2 367.472 3.486 10 0 FGAELO Cc1csc([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)n1 ZINC000156976686 496377768 /nfs/dbraw/zinc/37/77/68/496377768.db2.gz DMTSNQMWRXLRQM-OAHLLOKOSA-N 1 2 350.509 3.105 10 0 FGAELO Cc1csc([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)n1 ZINC000156976686 496377770 /nfs/dbraw/zinc/37/77/70/496377770.db2.gz DMTSNQMWRXLRQM-OAHLLOKOSA-N 1 2 350.509 3.105 10 0 FGAELO Cc1cc2c(cc1C)[C@@H](C(=O)N1CCc3c([nH+]c(C(C)C)n3C)C1)CO2 ZINC000184508585 496417013 /nfs/dbraw/zinc/41/70/13/496417013.db2.gz NABYBHFANJIBRZ-INIZCTEOSA-N 1 2 353.466 3.221 10 0 FGAELO COc1ccc([C@H](C)CCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)cc1 ZINC000172769373 496421737 /nfs/dbraw/zinc/42/17/37/496421737.db2.gz MDORFMLFAMNVBA-NVXWUHKLSA-N 1 2 356.470 3.052 10 0 FGAELO COc1ccc([C@H](C)CCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)cc1 ZINC000172769373 496421746 /nfs/dbraw/zinc/42/17/46/496421746.db2.gz MDORFMLFAMNVBA-NVXWUHKLSA-N 1 2 356.470 3.052 10 0 FGAELO COc1cc(-c2noc(C[N@@H+]3CC[C@H](Oc4cccnc4)C3)n2)ccc1C ZINC000157271079 496443174 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1 2 367.478 3.359 10 0 FGAELO C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2C)c1cccc(-n2cc[nH+]c2)c1 ZINC000136672808 495394547 /nfs/dbraw/zinc/39/45/47/495394547.db2.gz XEMFGOLUVXQHGR-OAHLLOKOSA-N 1 2 374.444 3.272 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000106143173 495419293 /nfs/dbraw/zinc/41/92/93/495419293.db2.gz VZIZTBDHTKEEJC-UHFFFAOYSA-N 1 2 365.481 3.010 10 0 FGAELO CCc1c(C(=O)C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)[nH]c(C)c1C(C)=O ZINC000106205916 495429900 /nfs/dbraw/zinc/42/99/00/495429900.db2.gz JWBPSVWUNIIHNO-QGZVFWFLSA-N 1 2 370.497 3.458 10 0 FGAELO CCc1c(C(=O)C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)[nH]c(C)c1C(C)=O ZINC000106205916 495429901 /nfs/dbraw/zinc/42/99/01/495429901.db2.gz JWBPSVWUNIIHNO-QGZVFWFLSA-N 1 2 370.497 3.458 10 0 FGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000106208444 495431120 /nfs/dbraw/zinc/43/11/20/495431120.db2.gz XCLJUYJTVRBUCD-DZGCQCFKSA-N 1 2 361.877 3.249 10 0 FGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000106208444 495431122 /nfs/dbraw/zinc/43/11/22/495431122.db2.gz XCLJUYJTVRBUCD-DZGCQCFKSA-N 1 2 361.877 3.249 10 0 FGAELO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120718482 495441998 /nfs/dbraw/zinc/44/19/98/495441998.db2.gz QVCPIZYKWURXNR-UWVGGRQHSA-N 1 2 351.249 3.324 10 0 FGAELO Cc1ccccc1CN(C)C(=O)[C@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106371350 495449669 /nfs/dbraw/zinc/44/96/69/495449669.db2.gz DATYKHNCQKIDGW-KRWDZBQOSA-N 1 2 368.525 3.257 10 0 FGAELO C[C@@H]1CCCN(c2cc(NC[C@@H]3CCN(CC(F)(F)F)C3)[nH+]cn2)C1 ZINC000125684970 495481699 /nfs/dbraw/zinc/48/16/99/495481699.db2.gz INVGQJZEJDCEPP-KGLIPLIRSA-N 1 2 357.424 3.009 10 0 FGAELO C[C@@H]1CCCN(c2cc(NC[C@@H]3CCN(CC(F)(F)F)C3)nc[nH+]2)C1 ZINC000125684970 495481701 /nfs/dbraw/zinc/48/17/01/495481701.db2.gz INVGQJZEJDCEPP-KGLIPLIRSA-N 1 2 357.424 3.009 10 0 FGAELO CCC[C@@H](C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1)c1ccccc1 ZINC000115388456 495497902 /nfs/dbraw/zinc/49/79/02/495497902.db2.gz ZRDDBXKSOLNGCT-HXUWFJFHSA-N 1 2 368.525 3.265 10 0 FGAELO Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173624813 495619897 /nfs/dbraw/zinc/61/98/97/495619897.db2.gz KONRPHVTNQKILO-OLZOCXBDSA-N 1 2 361.877 3.254 10 0 FGAELO CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000185590150 495635779 /nfs/dbraw/zinc/63/57/79/495635779.db2.gz CIWRUNPZEQXBME-VQHPVUNQSA-N 1 2 365.543 3.340 10 0 FGAELO CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000185590150 495635787 /nfs/dbraw/zinc/63/57/87/495635787.db2.gz CIWRUNPZEQXBME-VQHPVUNQSA-N 1 2 365.543 3.340 10 0 FGAELO Cc1cccc(C)c1NC(=O)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173654665 495635824 /nfs/dbraw/zinc/63/58/24/495635824.db2.gz RPOQNZOQOXZYRV-MRXNPFEDSA-N 1 2 362.433 3.305 10 0 FGAELO CC(C)Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173783597 495691954 /nfs/dbraw/zinc/69/19/54/495691954.db2.gz RFCNVSZDUUNOOE-YLJYHZDGSA-N 1 2 359.514 3.062 10 0 FGAELO Cc1ccc([C@H](CNC(=O)C2(c3ccccc3)CC2)[NH+]2CCOCC2)s1 ZINC000176572576 495704118 /nfs/dbraw/zinc/70/41/18/495704118.db2.gz BRXZFCNALLEJLD-SFHVURJKSA-N 1 2 370.518 3.278 10 0 FGAELO Cc1ccc([C@H](CNC(=O)[C@@H](C)Cc2ccccc2)[NH+]2CCOCC2)s1 ZINC000176571700 495704238 /nfs/dbraw/zinc/70/42/38/495704238.db2.gz MBMQUFBPKKUMBG-LPHOPBHVSA-N 1 2 372.534 3.425 10 0 FGAELO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)C[C@H]1[NH+]1CCOCC1 ZINC000173815261 495704606 /nfs/dbraw/zinc/70/46/06/495704606.db2.gz UIKPCMIIPLIFRV-NVXWUHKLSA-N 1 2 362.539 3.200 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)Cc2ccccc2F)c2cccs2)CCO1 ZINC000176581547 495707508 /nfs/dbraw/zinc/70/75/08/495707508.db2.gz ZHINVFBDNOLOCL-PBHICJAKSA-N 1 2 362.470 3.008 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)Cc2ccccc2F)c2cccs2)CCO1 ZINC000176581547 495707515 /nfs/dbraw/zinc/70/75/15/495707515.db2.gz ZHINVFBDNOLOCL-PBHICJAKSA-N 1 2 362.470 3.008 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cc(F)cc(F)c2)c2cccs2)CCO1 ZINC000176588526 495710741 /nfs/dbraw/zinc/71/07/41/495710741.db2.gz VOJGKYFBEYPXJA-WBMJQRKESA-N 1 2 366.433 3.218 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cc(F)cc(F)c2)c2cccs2)CCO1 ZINC000176588526 495710745 /nfs/dbraw/zinc/71/07/45/495710745.db2.gz VOJGKYFBEYPXJA-WBMJQRKESA-N 1 2 366.433 3.218 10 0 FGAELO Cc1cc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ccc1F ZINC000176606480 495718315 /nfs/dbraw/zinc/71/83/15/495718315.db2.gz OCFQZRVUKQVNOM-RHSMWYFYSA-N 1 2 362.470 3.387 10 0 FGAELO Cc1cc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ccc1F ZINC000176606480 495718320 /nfs/dbraw/zinc/71/83/20/495718320.db2.gz OCFQZRVUKQVNOM-RHSMWYFYSA-N 1 2 362.470 3.387 10 0 FGAELO CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173928429 495750803 /nfs/dbraw/zinc/75/08/03/495750803.db2.gz DXUZTFCJDBAPRC-QWXGXRTQSA-N 1 2 367.474 3.491 10 0 FGAELO C[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931267 495752110 /nfs/dbraw/zinc/75/21/10/495752110.db2.gz IXCXWYQKTTUWHJ-RDTXWAMCSA-N 1 2 360.417 3.176 10 0 FGAELO C[C@H](NC(=O)COCCOc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173951315 495759502 /nfs/dbraw/zinc/75/95/02/495759502.db2.gz HMSAVIMPAUYUGK-KRWDZBQOSA-N 1 2 365.433 3.145 10 0 FGAELO COc1cccc(CS(=O)(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173967567 495768157 /nfs/dbraw/zinc/76/81/57/495768157.db2.gz GHEQARMTDRLFID-OAHLLOKOSA-N 1 2 371.462 3.062 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1cc(Cl)ccc1F ZINC000176877454 495821812 /nfs/dbraw/zinc/82/18/12/495821812.db2.gz ZPZDAQOZQAAUNQ-HSZRJFAPSA-N 1 2 357.838 3.144 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000176879975 495822924 /nfs/dbraw/zinc/82/29/24/495822924.db2.gz CJAVSCQAHUZOJM-MYODQAERSA-N 1 2 353.875 3.393 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000176892283 495830755 /nfs/dbraw/zinc/83/07/55/495830755.db2.gz UFCHKYUOQUVMOV-BUBHHJDNSA-N 1 2 355.410 3.018 10 0 FGAELO CC(C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(Cl)c1 ZINC000176920009 495841030 /nfs/dbraw/zinc/84/10/30/495841030.db2.gz DMWHVCAAIWWGJW-ZWKOTPCHSA-N 1 2 350.890 3.013 10 0 FGAELO COc1c(C)cc(C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)cc1C ZINC000180061784 495841319 /nfs/dbraw/zinc/84/13/19/495841319.db2.gz MIGVMWXFLHTSIH-UHFFFAOYSA-N 1 2 373.522 3.425 10 0 FGAELO COc1c(C)cc(C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)cc1C ZINC000180061784 495841325 /nfs/dbraw/zinc/84/13/25/495841325.db2.gz MIGVMWXFLHTSIH-UHFFFAOYSA-N 1 2 373.522 3.425 10 0 FGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NC1CCCCC1 ZINC000176924439 495843757 /nfs/dbraw/zinc/84/37/57/495843757.db2.gz NRVDOYFWEJPUPX-INIZCTEOSA-N 1 2 351.516 3.096 10 0 FGAELO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180130192 495871951 /nfs/dbraw/zinc/87/19/51/495871951.db2.gz CZBIPQOHDGSHKO-VQIMIIECSA-N 1 2 369.371 3.099 10 0 FGAELO Nc1ccc(F)c(NC(=O)CC[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000177160714 495954958 /nfs/dbraw/zinc/95/49/58/495954958.db2.gz RJFITVIMNNVRHQ-UHFFFAOYSA-N 1 2 373.432 3.056 10 0 FGAELO Cn1c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186377203 495973116 /nfs/dbraw/zinc/97/31/16/495973116.db2.gz ITMBOAIJZRWEOA-QGZVFWFLSA-N 1 2 369.856 3.184 10 0 FGAELO Cn1c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)nnc1-c1ccc(Cl)cc1 ZINC000186377203 495973120 /nfs/dbraw/zinc/97/31/20/495973120.db2.gz ITMBOAIJZRWEOA-QGZVFWFLSA-N 1 2 369.856 3.184 10 0 FGAELO O=C(NCc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177345346 496025534 /nfs/dbraw/zinc/02/55/34/496025534.db2.gz PCKWAAKJSIBDSD-OAHLLOKOSA-N 1 2 352.360 3.276 10 0 FGAELO CC(C)[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1nc2ccccc2[nH]1 ZINC000177346179 496027249 /nfs/dbraw/zinc/02/72/49/496027249.db2.gz NJMZZKDIZCGUOC-CRAIPNDOSA-N 1 2 366.469 3.331 10 0 FGAELO COC(=O)c1oc([C@H](C)[NH+]2CCN(c3nc4ccccc4o3)CC2)cc1C ZINC000180613431 496068355 /nfs/dbraw/zinc/06/83/55/496068355.db2.gz RWRKNDGMUKEEHL-AWEZNQCLSA-N 1 2 369.421 3.399 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152181086 496072681 /nfs/dbraw/zinc/07/26/81/496072681.db2.gz STHRJQYJNYHWHI-SFHVURJKSA-N 1 2 350.422 3.017 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)n1 ZINC000152181086 496072689 /nfs/dbraw/zinc/07/26/89/496072689.db2.gz STHRJQYJNYHWHI-SFHVURJKSA-N 1 2 350.422 3.017 10 0 FGAELO Cc1nc(C(F)(F)F)c(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)s1 ZINC000183705859 496087882 /nfs/dbraw/zinc/08/78/82/496087882.db2.gz MDUBOHOVJSSYBP-UHFFFAOYSA-N 1 2 367.418 3.363 10 0 FGAELO COc1ccc([C@H](C)CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177560372 496112474 /nfs/dbraw/zinc/11/24/74/496112474.db2.gz SBQNGKJTAFBGSJ-SJLPKXTDSA-N 1 2 356.470 3.260 10 0 FGAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1Cl ZINC000177592340 496124162 /nfs/dbraw/zinc/12/41/62/496124162.db2.gz MBOIPGNJKZBTAB-MRXNPFEDSA-N 1 2 374.851 3.498 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(C)c2Cl)nc[nH+]1 ZINC000174938996 496172976 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CC(C)n1cccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000123544309 495149424 /nfs/dbraw/zinc/14/94/24/495149424.db2.gz JWLBLKMNKFJSHI-WBVHZDCISA-N 1 2 361.511 3.322 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)c1cc(F)cc3[nH]c(=S)[nH]c31)C2 ZINC000112669433 495220927 /nfs/dbraw/zinc/22/09/27/495220927.db2.gz MSMRWCYHSZEVCT-UHFFFAOYSA-N 1 2 373.457 3.420 10 0 FGAELO Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cn2c1 ZINC000119854174 495255438 /nfs/dbraw/zinc/25/54/38/495255438.db2.gz ATCHQBVNUPGMER-OXJNMPFZSA-N 1 2 373.522 3.030 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)N[C@H](C)CC(C)C)[NH+]2CCOCC2)s1 ZINC000129743876 495289345 /nfs/dbraw/zinc/28/93/45/495289345.db2.gz PFHLBPCMPFFGMR-GDBMZVCRSA-N 1 2 353.532 3.164 10 0 FGAELO C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000104798985 495307052 /nfs/dbraw/zinc/30/70/52/495307052.db2.gz XGUAZCDUAQQAQS-MOPGFXCFSA-N 1 2 373.884 3.059 10 0 FGAELO C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000104798985 495307054 /nfs/dbraw/zinc/30/70/54/495307054.db2.gz XGUAZCDUAQQAQS-MOPGFXCFSA-N 1 2 373.884 3.059 10 0 FGAELO C[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000130080866 495338343 /nfs/dbraw/zinc/33/83/43/495338343.db2.gz MATOWDXYLDVMHR-HNNXBMFYSA-N 1 2 373.420 3.336 10 0 FGAELO CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482876 495382596 /nfs/dbraw/zinc/38/25/96/495382596.db2.gz LILXBNKKLWPNRU-KRWDZBQOSA-N 1 2 364.852 3.388 10 0 FGAELO CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482876 495382597 /nfs/dbraw/zinc/38/25/97/495382597.db2.gz LILXBNKKLWPNRU-KRWDZBQOSA-N 1 2 364.852 3.388 10 0 FGAELO C[C@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000125242632 495411384 /nfs/dbraw/zinc/41/13/84/495411384.db2.gz HIMBWEFYBXAQDM-HNNXBMFYSA-N 1 2 374.444 3.256 10 0 FGAELO CC(C)c1noc([C@@H](C)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000106145875 495419594 /nfs/dbraw/zinc/41/95/94/495419594.db2.gz MODQLHNOJKEEOU-OAHLLOKOSA-N 1 2 360.506 3.023 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000125307814 495423488 /nfs/dbraw/zinc/42/34/88/495423488.db2.gz KBPZAXXWTFXHMK-HZPDHXFCSA-N 1 2 354.454 3.296 10 0 FGAELO COc1cc(-c2noc(C[S@](=O)Cc3[nH+]ccn3C(C)C)n2)ccc1C ZINC000137111938 495423992 /nfs/dbraw/zinc/42/39/92/495423992.db2.gz JAJVCPGSJABBNZ-SANMLTNESA-N 1 2 374.466 3.280 10 0 FGAELO COc1cc(-c2noc(C[S@@](=O)Cc3[nH+]ccn3C(C)C)n2)ccc1C ZINC000137111894 495424628 /nfs/dbraw/zinc/42/46/28/495424628.db2.gz JAJVCPGSJABBNZ-AREMUKBSSA-N 1 2 374.466 3.280 10 0 FGAELO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1C ZINC000106199092 495428835 /nfs/dbraw/zinc/42/88/35/495428835.db2.gz KUPJHYHCLSOSHU-IBGZPJMESA-N 1 2 355.482 3.220 10 0 FGAELO CC(=O)c1c(C)cc(C)c(C[N@H+]2CCO[C@H](Cn3cc(C)cn3)C2)c1C ZINC000106199092 495428841 /nfs/dbraw/zinc/42/88/41/495428841.db2.gz KUPJHYHCLSOSHU-IBGZPJMESA-N 1 2 355.482 3.220 10 0 FGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3ccccc3C(F)(F)F)CCO2)n1 ZINC000106203905 495430238 /nfs/dbraw/zinc/43/02/38/495430238.db2.gz XASSSWHVNCCTQJ-INIZCTEOSA-N 1 2 353.388 3.420 10 0 FGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)CCO2)n1 ZINC000106203905 495430244 /nfs/dbraw/zinc/43/02/44/495430244.db2.gz XASSSWHVNCCTQJ-INIZCTEOSA-N 1 2 353.388 3.420 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106222662 495437730 /nfs/dbraw/zinc/43/77/30/495437730.db2.gz VUHXMWBBFPCYEY-HNAYVOBHSA-N 1 2 354.454 3.058 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000106222662 495437736 /nfs/dbraw/zinc/43/77/36/495437736.db2.gz VUHXMWBBFPCYEY-HNAYVOBHSA-N 1 2 354.454 3.058 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106371767 495450901 /nfs/dbraw/zinc/45/09/01/495450901.db2.gz WMRMOSOXVDXKND-AWEZNQCLSA-N 1 2 368.481 3.131 10 0 FGAELO Cc1ccccc1C1(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000138555965 495464143 /nfs/dbraw/zinc/46/41/43/495464143.db2.gz POOHMOKFGFLRKW-GOSISDBHSA-N 1 2 366.509 3.424 10 0 FGAELO COc1cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc(OC)c1OC ZINC000130923405 495467033 /nfs/dbraw/zinc/46/70/33/495467033.db2.gz ZDDAAKNWXUTSLO-CHWSQXEVSA-N 1 2 360.458 3.052 10 0 FGAELO COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000120946429 495489879 /nfs/dbraw/zinc/48/98/79/495489879.db2.gz DXCVZBZALLCIMT-SCLBCKFNSA-N 1 2 365.351 3.198 10 0 FGAELO COC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000120946429 495489882 /nfs/dbraw/zinc/48/98/82/495489882.db2.gz DXCVZBZALLCIMT-SCLBCKFNSA-N 1 2 365.351 3.198 10 0 FGAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000106758953 495493199 /nfs/dbraw/zinc/49/31/99/495493199.db2.gz XIYOTNSMFXEASR-PKOBYXMFSA-N 1 2 374.481 3.106 10 0 FGAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000106758953 495493204 /nfs/dbraw/zinc/49/32/04/495493204.db2.gz XIYOTNSMFXEASR-PKOBYXMFSA-N 1 2 374.481 3.106 10 0 FGAELO Cc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)c(Cl)c1 ZINC000173623713 495619671 /nfs/dbraw/zinc/61/96/71/495619671.db2.gz RHHRFPKECQISQA-OLZOCXBDSA-N 1 2 361.877 3.254 10 0 FGAELO CC(C)N(C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000176415082 495643542 /nfs/dbraw/zinc/64/35/42/495643542.db2.gz UIVGVDIBIKIACO-ZBFHGGJFSA-N 1 2 351.516 3.092 10 0 FGAELO CC(C)N(C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000176415082 495643548 /nfs/dbraw/zinc/64/35/48/495643548.db2.gz UIVGVDIBIKIACO-ZBFHGGJFSA-N 1 2 351.516 3.092 10 0 FGAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000170924354 495653415 /nfs/dbraw/zinc/65/34/15/495653415.db2.gz BXVHQZNOPIVHJQ-CZUORRHYSA-N 1 2 372.296 3.171 10 0 FGAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000170924354 495653420 /nfs/dbraw/zinc/65/34/20/495653420.db2.gz BXVHQZNOPIVHJQ-CZUORRHYSA-N 1 2 372.296 3.171 10 0 FGAELO O=C(Nc1ccccc1Cc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173776204 495687603 /nfs/dbraw/zinc/68/76/03/495687603.db2.gz XKRRUYAQXQWIDV-FQEVSTJZSA-N 1 2 365.477 3.216 10 0 FGAELO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc2ccccc21 ZINC000173786073 495692850 /nfs/dbraw/zinc/69/28/50/495692850.db2.gz FEXIFEIEVBRKCC-SJLPKXTDSA-N 1 2 353.466 3.017 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(F)c2)[NH+]2CCOCC2)s1 ZINC000176547733 495694131 /nfs/dbraw/zinc/69/41/31/495694131.db2.gz FZMAYUCDUAQUCN-QGZVFWFLSA-N 1 2 362.470 3.307 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2cc(F)cc(F)c2)[NH+]2CCOCC2)s1 ZINC000176556912 495698499 /nfs/dbraw/zinc/69/84/99/495698499.db2.gz QMZLTHLIUNJSEW-MRXNPFEDSA-N 1 2 366.433 3.138 10 0 FGAELO Cc1ccc([C@H](CNC(=O)c2cccc(C)c2C)[NH+]2CCOCC2)s1 ZINC000176561930 495699786 /nfs/dbraw/zinc/69/97/86/495699786.db2.gz QOQKLBWITOBEPU-SFHVURJKSA-N 1 2 358.507 3.477 10 0 FGAELO Cc1cc(O[C@H](C)C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)ccc1C(C)C ZINC000173806588 495701258 /nfs/dbraw/zinc/70/12/58/495701258.db2.gz QDUGXBMSDHDGLE-WAOWUJCRSA-N 1 2 374.525 3.065 10 0 FGAELO C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000173815234 495704955 /nfs/dbraw/zinc/70/49/55/495704955.db2.gz UIKPCMIIPLIFRV-WBVHZDCISA-N 1 2 362.539 3.200 10 0 FGAELO Cc1c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)oc2c1c(C)ccc2C ZINC000173819461 495706642 /nfs/dbraw/zinc/70/66/42/495706642.db2.gz JDVYBVSCQSOWIO-DOTOQJQBSA-N 1 2 356.466 3.151 10 0 FGAELO CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000176604321 495717070 /nfs/dbraw/zinc/71/70/70/495717070.db2.gz UGUSZRLQZOUKDL-LJQANCHMSA-N 1 2 373.522 3.262 10 0 FGAELO CCCOc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000173847344 495718284 /nfs/dbraw/zinc/71/82/84/495718284.db2.gz ONXDHCXBXFOFSS-OAHLLOKOSA-N 1 2 367.877 3.067 10 0 FGAELO COC(=O)C1([NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)CCCCCC1 ZINC000154792073 495729807 /nfs/dbraw/zinc/72/98/07/495729807.db2.gz GLZGOMGBBGVCKU-QGZVFWFLSA-N 1 2 369.889 3.073 10 0 FGAELO O=C(N[C@@H](c1ccccc1)C1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173895267 495736741 /nfs/dbraw/zinc/73/67/41/495736741.db2.gz BPCZQRZLNVWWNR-UXHICEINSA-N 1 2 357.498 3.034 10 0 FGAELO COc1ccccc1[C@@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000179802994 495739253 /nfs/dbraw/zinc/73/92/53/495739253.db2.gz GLTJOXYJWNZOKH-TZMCWYRMSA-N 1 2 356.430 3.301 10 0 FGAELO Cc1nn(C)c(C)c1CCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173912011 495744599 /nfs/dbraw/zinc/74/45/99/495744599.db2.gz NOGIQXLUWXLLDA-CQSZACIVSA-N 1 2 351.454 3.033 10 0 FGAELO CC(C)C[C@H]([NH2+][C@H](C)c1cnn(C(C)C)c1)c1nc(-c2nc[nH]n2)no1 ZINC000179813507 495744764 /nfs/dbraw/zinc/74/47/64/495744764.db2.gz FHZZSTISERWVIT-OCCSQVGLSA-N 1 2 358.450 3.070 10 0 FGAELO C[C@@H](NC(=O)c1ccc(N2CCCC2)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920561 495747850 /nfs/dbraw/zinc/74/78/50/495747850.db2.gz VYOGGCAETIWGEM-MRXNPFEDSA-N 1 2 361.449 3.359 10 0 FGAELO CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173939013 495755546 /nfs/dbraw/zinc/75/55/46/495755546.db2.gz SNARWUOQVKCIOS-HNNXBMFYSA-N 1 2 363.417 3.331 10 0 FGAELO C[C@@H](NC(=O)c1ccccc1Cn1cncn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173953565 495761571 /nfs/dbraw/zinc/76/15/71/495761571.db2.gz XHRYDCUVQDPKLP-MRXNPFEDSA-N 1 2 372.432 3.003 10 0 FGAELO C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173963600 495766156 /nfs/dbraw/zinc/76/61/56/495766156.db2.gz OUVWIQQSYBEVOD-GFCCVEGCSA-N 1 2 363.389 3.190 10 0 FGAELO C[C@@H](NS(=O)(=O)CCc1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173964993 495767781 /nfs/dbraw/zinc/76/77/81/495767781.db2.gz GLNDPDPGNMMEPM-MRXNPFEDSA-N 1 2 355.463 3.095 10 0 FGAELO O=C(N[C@@H]1CCCc2ccccc21)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171289153 495805595 /nfs/dbraw/zinc/80/55/95/495805595.db2.gz ZSYCXYNRBRSYLL-LJQANCHMSA-N 1 2 370.522 3.438 10 0 FGAELO O=C(N[C@@H]1CCCc2ccccc21)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171289153 495805599 /nfs/dbraw/zinc/80/55/99/495805599.db2.gz ZSYCXYNRBRSYLL-LJQANCHMSA-N 1 2 370.522 3.438 10 0 FGAELO CCOCC[N@@H+]1CCN(C(=O)c2scnc2C(C)(C)C)C[C@@H]1CC ZINC000176853280 495811871 /nfs/dbraw/zinc/81/18/71/495811871.db2.gz LPBOHBVCGHQABL-AWEZNQCLSA-N 1 2 353.532 3.014 10 0 FGAELO CCOCC[N@H+]1CCN(C(=O)c2scnc2C(C)(C)C)C[C@@H]1CC ZINC000176853280 495811876 /nfs/dbraw/zinc/81/18/76/495811876.db2.gz LPBOHBVCGHQABL-AWEZNQCLSA-N 1 2 353.532 3.014 10 0 FGAELO Cc1nnc([C@@H]2C[N@H+](CCCOc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097770 495819391 /nfs/dbraw/zinc/81/93/91/495819391.db2.gz MQGIOZVRFGGGGT-SFHVURJKSA-N 1 2 358.486 3.253 10 0 FGAELO Cc1nnc([C@@H]2C[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)CCO2)[nH]1 ZINC000174097770 495819399 /nfs/dbraw/zinc/81/93/99/495819399.db2.gz MQGIOZVRFGGGGT-SFHVURJKSA-N 1 2 358.486 3.253 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000176884110 495825616 /nfs/dbraw/zinc/82/56/16/495825616.db2.gz CJSVHVVYDDWKTJ-RUZDIDTESA-N 1 2 373.400 3.370 10 0 FGAELO CCN(Cc1ccccc1)C(=O)[C@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176897628 495832953 /nfs/dbraw/zinc/83/29/53/495832953.db2.gz JJMNQIHQJBVYRT-IVCQMTBJSA-N 1 2 361.511 3.150 10 0 FGAELO CC(C)c1nnc(CCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1 ZINC000176928192 495844953 /nfs/dbraw/zinc/84/49/53/495844953.db2.gz HKKBWIJQLYOGRD-CQSZACIVSA-N 1 2 353.426 3.189 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)no1 ZINC000171408792 495861695 /nfs/dbraw/zinc/86/16/95/495861695.db2.gz CTTJBYRQBPFWKQ-LBPRGKRZSA-N 1 2 366.824 3.064 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)c(Cl)c3)C2)no1 ZINC000171408792 495861703 /nfs/dbraw/zinc/86/17/03/495861703.db2.gz CTTJBYRQBPFWKQ-LBPRGKRZSA-N 1 2 366.824 3.064 10 0 FGAELO COc1ccsc1[C@@H](C)[NH2+][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000186260225 495918237 /nfs/dbraw/zinc/91/82/37/495918237.db2.gz MXHZVGMLNFAGCQ-GHMZBOCLSA-N 1 2 362.459 3.363 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccccc2SC)nc[nH+]1 ZINC000174428098 495955720 /nfs/dbraw/zinc/95/57/20/495955720.db2.gz NNMGUXCPRHIWFD-ZDUSSCGKSA-N 1 2 372.498 3.031 10 0 FGAELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccccc2SC)[nH+]cn1 ZINC000174428098 495955725 /nfs/dbraw/zinc/95/57/25/495955725.db2.gz NNMGUXCPRHIWFD-ZDUSSCGKSA-N 1 2 372.498 3.031 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1nc2ccccc2n1C)c1ccccc1 ZINC000177193738 495969166 /nfs/dbraw/zinc/96/91/66/495969166.db2.gz KWSBGORGSPEPDO-HOTGVXAUSA-N 1 2 350.466 3.271 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1nc2ccccc2n1C)c1ccccc1 ZINC000177193738 495969173 /nfs/dbraw/zinc/96/91/73/495969173.db2.gz KWSBGORGSPEPDO-HOTGVXAUSA-N 1 2 350.466 3.271 10 0 FGAELO Cc1cc(NC(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc[nH+]1 ZINC000183436361 495982741 /nfs/dbraw/zinc/98/27/41/495982741.db2.gz PIBFIUTYCUFGCY-IMJJTQAJSA-N 1 2 360.458 3.157 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)Nc3cccc4cccnc43)CC2)s1 ZINC000171808473 496043622 /nfs/dbraw/zinc/04/36/22/496043622.db2.gz RLZMJLRBEMOWHI-UHFFFAOYSA-N 1 2 367.478 3.349 10 0 FGAELO O=C(N[C@H](CC1CCC1)c1ccccc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000183628601 496054760 /nfs/dbraw/zinc/05/47/60/496054760.db2.gz MYXIEAMCGISENM-WOJBJXKFSA-N 1 2 357.498 3.034 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CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1cc(-c2cccs2)on1 ZINC000107075757 495521869 /nfs/dbraw/zinc/52/18/69/495521869.db2.gz RPNLQPGBAPDPQY-UHFFFAOYSA-N 1 2 351.453 3.296 10 0 FGAELO Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(Sc2ccccc2)c1 ZINC000182497022 495586629 /nfs/dbraw/zinc/58/66/29/495586629.db2.gz NKTWAYUGQMATPD-INIZCTEOSA-N 1 2 356.491 3.207 10 0 FGAELO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(Sc2ccccc2)c1 ZINC000182497022 495586632 /nfs/dbraw/zinc/58/66/32/495586632.db2.gz NKTWAYUGQMATPD-INIZCTEOSA-N 1 2 356.491 3.207 10 0 FGAELO C[C@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1cc(Cl)ccc1F ZINC000173623216 495619536 /nfs/dbraw/zinc/61/95/36/495619536.db2.gz RTCBFLYSWUXLNS-QWRGUYRKSA-N 1 2 365.840 3.085 10 0 FGAELO CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173628826 495621787 /nfs/dbraw/zinc/62/17/87/495621787.db2.gz OYBNXTDYJAAEEY-LSDHHAIUSA-N 1 2 369.513 3.417 10 0 FGAELO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173654254 495635532 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CC[N@@H+](CCCNC(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000155561825 495996157 /nfs/dbraw/zinc/99/61/57/495996157.db2.gz JGYRNTXRSLNIMX-UHFFFAOYSA-N 1 2 369.513 3.226 10 0 FGAELO CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000180438006 495996631 /nfs/dbraw/zinc/99/66/31/495996631.db2.gz XLTZPNAIWRXIJM-CQSZACIVSA-N 1 2 361.833 3.191 10 0 FGAELO C[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177262890 495999851 /nfs/dbraw/zinc/99/98/51/495999851.db2.gz ITXURMHASAKKPA-KDOFPFPSSA-N 1 2 361.873 3.148 10 0 FGAELO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(C)[nH+]1 ZINC000186532686 496033782 /nfs/dbraw/zinc/03/37/82/496033782.db2.gz PMIPFIIWYYXHJV-ZMSDIMECSA-N 1 2 374.485 3.465 10 0 FGAELO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(OC(F)F)c1 ZINC000177400310 496048232 /nfs/dbraw/zinc/04/82/32/496048232.db2.gz LWXPHKJOQUWZCF-UKRRQHHQSA-N 1 2 364.396 3.420 10 0 FGAELO Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000171819706 496050236 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366.512 3.097 10 0 FGAELO Cc1cnc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)s1 ZINC000248369738 496985035 /nfs/dbraw/zinc/98/50/35/496985035.db2.gz WPUORGXIFJFWSW-WCQYABFASA-N 1 2 366.512 3.097 10 0 FGAELO CO[C@@](C)(C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1F ZINC000192104456 496996631 /nfs/dbraw/zinc/99/66/31/496996631.db2.gz JEUSEISUVMVNQO-HXUWFJFHSA-N 1 2 359.445 3.129 10 0 FGAELO Cc1ccnc(NC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c1 ZINC000248450724 497016956 /nfs/dbraw/zinc/01/69/56/497016956.db2.gz JFCUCSDDGUCRIU-LSDHHAIUSA-N 1 2 360.483 3.035 10 0 FGAELO Cc1ccnc(NC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000248450724 497016958 /nfs/dbraw/zinc/01/69/58/497016958.db2.gz JFCUCSDDGUCRIU-LSDHHAIUSA-N 1 2 360.483 3.035 10 0 FGAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N2CCCC3(CC3)C2)c2cccs2)CCO1 ZINC000248589495 497049712 /nfs/dbraw/zinc/04/97/12/497049712.db2.gz XVOKEMSJOWYIKJ-JKSUJKDBSA-N 1 2 363.527 3.096 10 0 FGAELO C[C@H]1C[N@H+]([C@H](CNC(=O)N2CCCC3(CC3)C2)c2cccs2)CCO1 ZINC000248589495 497049719 /nfs/dbraw/zinc/04/97/19/497049719.db2.gz XVOKEMSJOWYIKJ-JKSUJKDBSA-N 1 2 363.527 3.096 10 0 FGAELO CC(C)c1nc(C2([NH2+]CCOCC(F)(F)C(F)F)CCCC2)no1 ZINC000189474257 497128410 /nfs/dbraw/zinc/12/84/10/497128410.db2.gz RGNIJGKLUPNBMY-UHFFFAOYSA-N 1 2 353.360 3.469 10 0 FGAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000189985412 497315477 /nfs/dbraw/zinc/31/54/77/497315477.db2.gz GXNSRHVMWOBPDL-OAQYLSRUSA-N 1 2 370.449 3.197 10 0 FGAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000189985412 497315481 /nfs/dbraw/zinc/31/54/81/497315481.db2.gz GXNSRHVMWOBPDL-OAQYLSRUSA-N 1 2 370.449 3.197 10 0 FGAELO Cc1c[nH+]ccc1NC(=O)N1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000252977988 497322549 /nfs/dbraw/zinc/32/25/49/497322549.db2.gz XJLJOZJKNWUUAM-DZKIICNBSA-N 1 2 360.458 3.157 10 0 FGAELO CC[C@@H]1c2[nH+]ccn2CCCN1C(=O)c1cc(C)n(CCCOC)c1C ZINC000253406292 497332104 /nfs/dbraw/zinc/33/21/04/497332104.db2.gz IUYOSVMOBGJHAA-GOSISDBHSA-N 1 2 358.486 3.335 10 0 FGAELO COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193701642 497451968 /nfs/dbraw/zinc/45/19/68/497451968.db2.gz FTTXOOBMUWUUKZ-LBPRGKRZSA-N 1 2 364.795 3.239 10 0 FGAELO COc1ccc(Cl)cc1CNC(=O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193701642 497451974 /nfs/dbraw/zinc/45/19/74/497451974.db2.gz FTTXOOBMUWUUKZ-LBPRGKRZSA-N 1 2 364.795 3.239 10 0 FGAELO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000245985266 497589423 /nfs/dbraw/zinc/58/94/23/497589423.db2.gz ZNBYQRHIDBSPSQ-CEXWTWQISA-N 1 2 370.518 3.038 10 0 FGAELO CCCN(CCO)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246219155 497665451 /nfs/dbraw/zinc/66/54/51/497665451.db2.gz ZHSPEJYSUQWWDO-SJORKVTESA-N 1 2 371.884 3.028 10 0 FGAELO CCCN(CCO)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246219155 497665453 /nfs/dbraw/zinc/66/54/53/497665453.db2.gz ZHSPEJYSUQWWDO-SJORKVTESA-N 1 2 371.884 3.028 10 0 FGAELO O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263042905 497689767 /nfs/dbraw/zinc/68/97/67/497689767.db2.gz SYORTQBZIKUPHI-GOSISDBHSA-N 1 2 360.404 3.017 10 0 FGAELO COCCOc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246426792 497731363 /nfs/dbraw/zinc/73/13/63/497731363.db2.gz MSWUXCMIPSPNNZ-UZLBHIALSA-N 1 2 363.404 3.298 10 0 FGAELO COCCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)c1 ZINC000246426792 497731366 /nfs/dbraw/zinc/73/13/66/497731366.db2.gz MSWUXCMIPSPNNZ-UZLBHIALSA-N 1 2 363.404 3.298 10 0 FGAELO C[C@H](c1ccc(Br)cc1)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246455367 497739512 /nfs/dbraw/zinc/73/95/12/497739512.db2.gz MYWSKTJSGVRZAG-CKEIUWERSA-N 1 2 353.304 3.163 10 0 FGAELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246482690 497748927 /nfs/dbraw/zinc/74/89/27/497748927.db2.gz AGAIPRSOFOTYAP-UVDFWXMISA-N 1 2 366.452 3.110 10 0 FGAELO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246482690 497748928 /nfs/dbraw/zinc/74/89/28/497748928.db2.gz AGAIPRSOFOTYAP-UVDFWXMISA-N 1 2 366.452 3.110 10 0 FGAELO Cc1c(Br)cccc1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263578119 497802656 /nfs/dbraw/zinc/80/26/56/497802656.db2.gz SHLLZPKLUCKXFE-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1c(Br)cccc1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263578119 497802657 /nfs/dbraw/zinc/80/26/57/497802657.db2.gz SHLLZPKLUCKXFE-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1c(Br)cccc1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263578119 497802659 /nfs/dbraw/zinc/80/26/59/497802659.db2.gz SHLLZPKLUCKXFE-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO Cc1c(Br)cccc1C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263578119 497802661 /nfs/dbraw/zinc/80/26/61/497802661.db2.gz SHLLZPKLUCKXFE-OAHLLOKOSA-N 1 2 369.303 3.128 10 0 FGAELO COc1cc(OC)c(CNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)c(OC)c1 ZINC000301241200 498016313 /nfs/dbraw/zinc/01/63/13/498016313.db2.gz MNAKCZHIGCQWQF-AWEZNQCLSA-N 1 2 372.469 3.351 10 0 FGAELO COc1cc(OC)c(CNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c(OC)c1 ZINC000301241200 498016320 /nfs/dbraw/zinc/01/63/20/498016320.db2.gz MNAKCZHIGCQWQF-AWEZNQCLSA-N 1 2 372.469 3.351 10 0 FGAELO CCc1nc(Cl)c(C)c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000301634702 498199339 /nfs/dbraw/zinc/19/93/39/498199339.db2.gz KJEQBJFWZSGLCX-DLBZAZTESA-N 1 2 372.900 3.090 10 0 FGAELO CCc1nc(Cl)c(C)c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)n1 ZINC000301634702 498199344 /nfs/dbraw/zinc/19/93/44/498199344.db2.gz KJEQBJFWZSGLCX-DLBZAZTESA-N 1 2 372.900 3.090 10 0 FGAELO Cc1nc(N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)c2c([nH+]1)CCCC2 ZINC000302069632 498396073 /nfs/dbraw/zinc/39/60/73/498396073.db2.gz DRLWLKRPZQZZFD-PKOBYXMFSA-N 1 2 354.429 3.187 10 0 FGAELO OC[C@H]1CCCCN1c1cc(N2CC=C(c3ccccc3)CC2)[nH+]cn1 ZINC000302777210 498568893 /nfs/dbraw/zinc/56/88/93/498568893.db2.gz FZNVXUNCVBAHFG-LJQANCHMSA-N 1 2 350.466 3.122 10 0 FGAELO OC[C@H]1CCCCN1c1cc(N2CC=C(c3ccccc3)CC2)nc[nH+]1 ZINC000302777210 498568898 /nfs/dbraw/zinc/56/88/98/498568898.db2.gz FZNVXUNCVBAHFG-LJQANCHMSA-N 1 2 350.466 3.122 10 0 FGAELO C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000026244816 695682258 /nfs/dbraw/zinc/68/22/58/695682258.db2.gz JRGLIBLRAGAINB-HNNXBMFYSA-N 1 2 359.495 3.141 10 0 FGAELO C[C@@H](CNC(=O)Nc1ccccc1SC(F)(F)F)[NH+]1CCOCC1 ZINC000047863753 695869899 /nfs/dbraw/zinc/86/98/99/695869899.db2.gz BGWBABWAEVDKBG-NSHDSACASA-N 1 2 363.405 3.141 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cc(Cl)cc(C)c2O)CC1 ZINC000180103705 705728018 /nfs/dbraw/zinc/72/80/18/705728018.db2.gz CULTXZGUCCRVQN-UHFFFAOYSA-N 1 2 362.905 3.022 10 0 FGAELO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(Cl)c1 ZINC000192349188 712857771 /nfs/dbraw/zinc/85/77/71/712857771.db2.gz NBARTSOGLKACIC-IBGZPJMESA-N 1 2 358.869 3.140 10 0 FGAELO O[C@@H](C[NH+]1CCN(CCSCc2ccccc2)CC1)c1ccccc1 ZINC000192574859 712866959 /nfs/dbraw/zinc/86/69/59/712866959.db2.gz CHGUUGLYWQKQPF-NRFANRHFSA-N 1 2 356.535 3.271 10 0 FGAELO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235340424 713580365 /nfs/dbraw/zinc/58/03/65/713580365.db2.gz HBJGHZORYDTKCX-WRWORJQWSA-N 1 2 365.065 3.184 10 0 FGAELO C[C@H](CNC(=O)N1CCC[C@H]1c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000056623906 221081368 /nfs/dbraw/zinc/08/13/68/221081368.db2.gz RGSBKJIRKKPVJP-UTKZUKDTSA-N 1 2 367.493 3.407 10 0 FGAELO CCCC(=O)N1CCC[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172445 221174630 /nfs/dbraw/zinc/17/46/30/221174630.db2.gz JQTDLYXIRWOJHM-UHFFFAOYSA-N 1 2 362.861 3.224 10 0 FGAELO CCCC(=O)N1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000065172445 221174632 /nfs/dbraw/zinc/17/46/32/221174632.db2.gz JQTDLYXIRWOJHM-UHFFFAOYSA-N 1 2 362.861 3.224 10 0 FGAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224145068 132281812 /nfs/dbraw/zinc/28/18/12/132281812.db2.gz KAYOFGNIHMEBSK-UHFFFAOYSA-N 1 2 354.458 3.485 10 0 FGAELO COC(=O)[C@H]1C[C@@H](Oc2ccc(Br)cc2C(C)(C)C)C[NH2+]1 ZINC000098089292 222228159 /nfs/dbraw/zinc/22/81/59/222228159.db2.gz 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CCC[C@@H](CC)NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178613492 496516790 /nfs/dbraw/zinc/51/67/90/496516790.db2.gz FHLXDLKQNJVMFC-CVEARBPZSA-N 1 2 353.532 3.342 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NC3[C@H](C)CCC[C@H]3C)CC2)s1 ZINC000175822923 496560366 /nfs/dbraw/zinc/56/03/66/496560366.db2.gz BYFQHLHXHSNFMN-ZIAGYGMSSA-N 1 2 350.532 3.103 10 0 FGAELO O[C@H](COCc1ccccc1)C[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000178843414 496591599 /nfs/dbraw/zinc/59/15/99/496591599.db2.gz JMPYDIYLGFKXSU-KRWDZBQOSA-N 1 2 354.425 3.243 10 0 FGAELO O[C@H](COCc1ccccc1)C[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000178843414 496591602 /nfs/dbraw/zinc/59/16/02/496591602.db2.gz JMPYDIYLGFKXSU-KRWDZBQOSA-N 1 2 354.425 3.243 10 0 FGAELO Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)COCc3ccccc3)cn21 ZINC000173210945 496595313 /nfs/dbraw/zinc/59/53/13/496595313.db2.gz PBDMQVJDXXYGBC-OAHLLOKOSA-N 1 2 352.438 3.047 10 0 FGAELO Brc1ccc2[nH]c(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)nc2c1 ZINC000184949295 496597307 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COC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000124762510 495339317 /nfs/dbraw/zinc/33/93/17/495339317.db2.gz NYUWGRKISVNXKB-LJQANCHMSA-N 1 2 368.433 3.085 10 0 FGAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000136229651 495366368 /nfs/dbraw/zinc/36/63/68/495366368.db2.gz HSFRVJFRYRPPFJ-LPHOPBHVSA-N 1 2 352.482 3.462 10 0 FGAELO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000114562559 495392177 /nfs/dbraw/zinc/39/21/77/495392177.db2.gz DRYWNVAJGIAKKQ-WOJBJXKFSA-N 1 2 361.869 3.291 10 0 FGAELO O[C@@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000114562559 495392181 /nfs/dbraw/zinc/39/21/81/495392181.db2.gz DRYWNVAJGIAKKQ-WOJBJXKFSA-N 1 2 361.869 3.291 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cc(-c3cccs3)on2)CC1 ZINC000106142958 495419473 /nfs/dbraw/zinc/41/94/73/495419473.db2.gz BERRGWPRPDGEMB-UHFFFAOYSA-N 1 2 371.510 3.071 10 0 FGAELO CCCCc1nc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cs1 ZINC000106141910 495419681 /nfs/dbraw/zinc/41/96/81/495419681.db2.gz TXXIGIYKZHMUGS-UHFFFAOYSA-N 1 2 361.559 3.154 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)NCc1ccccc1Cl)C2 ZINC000106370603 495449633 /nfs/dbraw/zinc/44/96/33/495449633.db2.gz BQKAKEAWSSUFFC-AWEZNQCLSA-N 1 2 374.916 3.260 10 0 FGAELO CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000170645401 495544624 /nfs/dbraw/zinc/54/46/24/495544624.db2.gz XTNWBQUJAMJWFF-SFHVURJKSA-N 1 2 353.470 3.300 10 0 FGAELO CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000170645401 495544631 /nfs/dbraw/zinc/54/46/31/495544631.db2.gz XTNWBQUJAMJWFF-SFHVURJKSA-N 1 2 353.470 3.300 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](c2ccccc2)C(C)C)CC1 ZINC000173480969 495550325 /nfs/dbraw/zinc/55/03/25/495550325.db2.gz BVHMEGCHUOOKAM-OAQYLSRUSA-N 1 2 368.525 3.121 10 0 FGAELO CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2)c1ccccc1 ZINC000173621033 495618338 /nfs/dbraw/zinc/61/83/38/495618338.db2.gz XUQPYEWBAKNIOT-JZXOWHBKSA-N 1 2 369.513 3.311 10 0 FGAELO CSc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173631842 495623030 /nfs/dbraw/zinc/62/30/30/495623030.db2.gz FTPKQQONGAUVKE-OLZOCXBDSA-N 1 2 359.499 3.014 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3ccccc3OC(F)F)CC2)s1 ZINC000170941516 495661006 /nfs/dbraw/zinc/66/10/06/495661006.db2.gz HZCXYOHSWDYALJ-UHFFFAOYSA-N 1 2 353.438 3.371 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(F)cc(F)c1 ZINC000176527629 495684579 /nfs/dbraw/zinc/68/45/79/495684579.db2.gz FEZVOHWDNNTEFE-MRXNPFEDSA-N 1 2 366.433 3.172 10 0 FGAELO CCc1ccc(Cl)c(CC)c1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173777689 495688745 /nfs/dbraw/zinc/68/87/45/495688745.db2.gz CIDAILFRMHLCGI-OAHLLOKOSA-N 1 2 365.905 3.403 10 0 FGAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc2ccccc21 ZINC000173786039 495693025 /nfs/dbraw/zinc/69/30/25/495693025.db2.gz FEXIFEIEVBRKCC-WMZOPIPTSA-N 1 2 353.466 3.017 10 0 FGAELO Cc1nc(C[NH+]2CCN(c3ccnc4c(F)cc(F)cc34)CC2)oc1C ZINC000159249684 495694203 /nfs/dbraw/zinc/69/42/03/495694203.db2.gz ZTZYEXIAJHQGKX-UHFFFAOYSA-N 1 2 358.392 3.440 10 0 FGAELO COc1cc(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)ccc1C ZINC000176565770 495700746 /nfs/dbraw/zinc/70/07/46/495700746.db2.gz IGMRXCNSPRVQCB-QGZVFWFLSA-N 1 2 374.506 3.177 10 0 FGAELO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc1F ZINC000176578585 495707256 /nfs/dbraw/zinc/70/72/56/495707256.db2.gz DVRMJCZMFLKYSI-RHSMWYFYSA-N 1 2 362.470 3.387 10 0 FGAELO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc1F ZINC000176578585 495707257 /nfs/dbraw/zinc/70/72/57/495707257.db2.gz DVRMJCZMFLKYSI-RHSMWYFYSA-N 1 2 362.470 3.387 10 0 FGAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)s1 ZINC000176597714 495714066 /nfs/dbraw/zinc/71/40/66/495714066.db2.gz YJXMPXXMGDKVKA-CZUORRHYSA-N 1 2 364.536 3.239 10 0 FGAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)s1 ZINC000176597714 495714069 /nfs/dbraw/zinc/71/40/69/495714069.db2.gz YJXMPXXMGDKVKA-CZUORRHYSA-N 1 2 364.536 3.239 10 0 FGAELO 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/nfs/dbraw/zinc/76/75/45/495767545.db2.gz MZZKTLAGEJJULU-SMDDNHRTSA-N 1 2 365.275 3.373 10 0 FGAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)c2cccnc12 ZINC000179895248 495775151 /nfs/dbraw/zinc/77/51/51/495775151.db2.gz BQFHPTTYYYWHDV-OAHLLOKOSA-N 1 2 362.271 3.050 10 0 FGAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Br)c2cccnc12 ZINC000179895248 495775155 /nfs/dbraw/zinc/77/51/55/495775155.db2.gz BQFHPTTYYYWHDV-OAHLLOKOSA-N 1 2 362.271 3.050 10 0 FGAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccccc3Oc3ccccc3)CCO2)[nH]1 ZINC000174100032 495821000 /nfs/dbraw/zinc/82/10/00/495821000.db2.gz ZPAFCLQUSBTELG-IBGZPJMESA-N 1 2 350.422 3.479 10 0 FGAELO Cc1nnc([C@@H]2C[N@@H+](Cc3ccccc3Oc3ccccc3)CCO2)[nH]1 ZINC000174100032 495821004 /nfs/dbraw/zinc/82/10/04/495821004.db2.gz ZPAFCLQUSBTELG-IBGZPJMESA-N 1 2 350.422 3.479 10 0 FGAELO Cc1ccc(F)cc1NC(=O)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176878110 495823631 /nfs/dbraw/zinc/82/36/31/495823631.db2.gz AELDEPVGUDTAMZ-YEBMWUKDSA-N 1 2 351.447 3.187 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000176882968 495825380 /nfs/dbraw/zinc/82/53/80/495825380.db2.gz GWEQCHGYWMRKEI-BZQUYTCOSA-N 1 2 359.495 3.081 10 0 FGAELO Cc1ccc(NC(=O)[C@H](C)[S@@](=O)Cc2[nH+]ccn2C(C)C)cc1F ZINC000176898200 495832297 /nfs/dbraw/zinc/83/22/97/495832297.db2.gz CXDYVZHXWQRAPX-RZFZLAGVSA-N 1 2 351.447 3.187 10 0 FGAELO CCc1cccc(CC)c1NC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176898443 495832923 /nfs/dbraw/zinc/83/29/23/495832923.db2.gz VTBIPYOMVBRKGQ-VWLOTQADSA-N 1 2 361.511 3.476 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3cn(C)nc3-c3cccs3)CC2)s1 ZINC000180081012 495849381 /nfs/dbraw/zinc/84/93/81/495849381.db2.gz NMJATGSGHGUNJR-UHFFFAOYSA-N 1 2 373.551 3.231 10 0 FGAELO Cc1ncc(CN2CC[NH+](Cc3cn(C)nc3-c3cccs3)CC2)s1 ZINC000180081012 495849390 /nfs/dbraw/zinc/84/93/90/495849390.db2.gz NMJATGSGHGUNJR-UHFFFAOYSA-N 1 2 373.551 3.231 10 0 FGAELO c1cnn(C[C@H]2C[N@H+](Cc3ccc(OCc4ccccc4)cc3)CCO2)c1 ZINC000171511042 495905244 /nfs/dbraw/zinc/90/52/44/495905244.db2.gz UMZTXECLDYVREP-JOCHJYFZSA-N 1 2 363.461 3.363 10 0 FGAELO c1cnn(C[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4)cc3)CCO2)c1 ZINC000171511042 495905250 /nfs/dbraw/zinc/90/52/50/495905250.db2.gz UMZTXECLDYVREP-JOCHJYFZSA-N 1 2 363.461 3.363 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000151687719 495919826 /nfs/dbraw/zinc/91/98/26/495919826.db2.gz HKLPECQTZSVFSQ-UHFFFAOYSA-N 1 2 360.546 3.288 10 0 FGAELO Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000155390802 495942435 /nfs/dbraw/zinc/94/24/35/495942435.db2.gz RSSZOULMUSDBIY-UHFFFAOYSA-N 1 2 366.469 3.047 10 0 FGAELO Cc1nc([C@@H]2CCCN2C(=O)NC2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000186326766 495949352 /nfs/dbraw/zinc/94/93/52/495949352.db2.gz WFDTXTVDDWBJRQ-KRWDZBQOSA-N 1 2 371.510 3.362 10 0 FGAELO Cn1c(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)nnc1C1CC1 ZINC000177157597 495952878 /nfs/dbraw/zinc/95/28/78/495952878.db2.gz OYHIZMFPXPGCDY-QGZVFWFLSA-N 1 2 352.438 3.021 10 0 FGAELO Cn1c(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)nnc1C1CC1 ZINC000177157597 495952887 /nfs/dbraw/zinc/95/28/87/495952887.db2.gz OYHIZMFPXPGCDY-QGZVFWFLSA-N 1 2 352.438 3.021 10 0 FGAELO CCOC(=O)c1sc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1C ZINC000180454322 496002575 /nfs/dbraw/zinc/00/25/75/496002575.db2.gz UFTLJCPMJACPSA-CYBMUJFWSA-N 1 2 362.455 3.126 10 0 FGAELO Cc1cnn(-c2ccc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)cc2F)c1 ZINC000180487598 496017737 /nfs/dbraw/zinc/01/77/37/496017737.db2.gz LXUPZFJEWXGRQY-MRXNPFEDSA-N 1 2 368.416 3.213 10 0 FGAELO CCC[C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671071 496071268 /nfs/dbraw/zinc/07/12/68/496071268.db2.gz MHEKNOSIFMEUEY-AEFFLSMTSA-N 1 2 365.543 3.081 10 0 FGAELO CCC[C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)CCO1 ZINC000183671071 496071273 /nfs/dbraw/zinc/07/12/73/496071273.db2.gz MHEKNOSIFMEUEY-AEFFLSMTSA-N 1 2 365.543 3.081 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)C3(Cc4ccccc4)CC3)CC2)s1 ZINC000177473370 496075369 /nfs/dbraw/zinc/07/53/69/496075369.db2.gz AHXOLBBDXZLZNE-UHFFFAOYSA-N 1 2 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CCc1csc([C@H]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000113206035 495283177 /nfs/dbraw/zinc/28/31/77/495283177.db2.gz BNOSBIAVHKDZTG-HNNXBMFYSA-N 1 2 367.478 3.306 10 0 FGAELO CCc1csc([C@H]2CCCN(C(=O)NCc3ccc[nH+]c3N(C)C)C2)n1 ZINC000113591339 495318415 /nfs/dbraw/zinc/31/84/15/495318415.db2.gz HTDNMWJYCKYBPA-HNNXBMFYSA-N 1 2 373.526 3.256 10 0 FGAELO C[C@@H]1CCN(C(=O)Nc2cc(F)ccc2-n2cccn2)C[C@H]1n1cc[nH+]c1 ZINC000129965368 495320641 /nfs/dbraw/zinc/32/06/41/495320641.db2.gz NDBADFGISDLEKS-RDTXWAMCSA-N 1 2 368.416 3.323 10 0 FGAELO Cc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)c(OCc2ccccc2)c1 ZINC000105281251 495351981 /nfs/dbraw/zinc/35/19/81/495351981.db2.gz JCVPVBORGOFBII-SFHVURJKSA-N 1 2 369.465 3.026 10 0 FGAELO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)c(OCc2ccccc2)c1 ZINC000105281251 495351985 /nfs/dbraw/zinc/35/19/85/495351985.db2.gz JCVPVBORGOFBII-SFHVURJKSA-N 1 2 369.465 3.026 10 0 FGAELO C[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)c(F)c1 ZINC000136182959 495362888 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CCc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)n1 ZINC000106136683 495419505 /nfs/dbraw/zinc/41/95/05/495419505.db2.gz PSPOXZTWNVTHAN-OLZOCXBDSA-N 1 2 350.413 3.350 10 0 FGAELO Cc1ccccc1NC(=O)C[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162312 495422492 /nfs/dbraw/zinc/42/24/92/495422492.db2.gz HOCORHCNYQSZAD-SFHVURJKSA-N 1 2 373.522 3.000 10 0 FGAELO Cc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162312 495422497 /nfs/dbraw/zinc/42/24/97/495422497.db2.gz HOCORHCNYQSZAD-SFHVURJKSA-N 1 2 373.522 3.000 10 0 FGAELO Cc1sc2nc([C@@H](C)[NH+]3CCC(Cn4cccn4)CC3)[nH]c(=O)c2c1C ZINC000106184167 495426529 /nfs/dbraw/zinc/42/65/29/495426529.db2.gz CUYFYBFFINKDRJ-CYBMUJFWSA-N 1 2 371.510 3.271 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@@H](C)c3cccc(C)c3)CC2)s1 ZINC000120974946 495495702 /nfs/dbraw/zinc/49/57/02/495495702.db2.gz AEQQZJZINVTWKW-MRXNPFEDSA-N 1 2 372.538 3.391 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H]1OCCc3ccccc31)C2 ZINC000115382672 495498234 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FGAELO Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2 ZINC000173624806 495619411 /nfs/dbraw/zinc/61/94/11/495619411.db2.gz KONRPHVTNQKILO-CHWSQXEVSA-N 1 2 361.877 3.254 10 0 FGAELO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCCC2 ZINC000173629114 495621998 /nfs/dbraw/zinc/62/19/98/495621998.db2.gz SBEGKKVXFCSKMB-IRXDYDNUSA-N 1 2 369.513 3.091 10 0 FGAELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(Cl)c4cccnc34)CCO2)[nH]1 ZINC000173686008 495647731 /nfs/dbraw/zinc/64/77/31/495647731.db2.gz CWEFNEDHTPJQNG-OAHLLOKOSA-N 1 2 357.845 3.142 10 0 FGAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(Cl)c4cccnc34)CCO2)[nH]1 ZINC000173686008 495647734 /nfs/dbraw/zinc/64/77/34/495647734.db2.gz CWEFNEDHTPJQNG-OAHLLOKOSA-N 1 2 357.845 3.142 10 0 FGAELO O=C1O[C@@H](C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)CN1c1ccccc1 ZINC000173713442 495658835 /nfs/dbraw/zinc/65/88/35/495658835.db2.gz MJKXSANTAIUKSY-INIZCTEOSA-N 1 2 368.437 3.331 10 0 FGAELO C[C@@H](NC[C@@H]1C[N@H+](C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936691 495687082 /nfs/dbraw/zinc/68/70/82/495687082.db2.gz OQDQVKYHAXQPLB-ZYHUDNBSSA-N 1 2 371.268 3.025 10 0 FGAELO C[C@@H](NC[C@@H]1C[N@@H+](C)CCO1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000150936691 495687087 /nfs/dbraw/zinc/68/70/87/495687087.db2.gz OQDQVKYHAXQPLB-ZYHUDNBSSA-N 1 2 371.268 3.025 10 0 FGAELO CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000171027824 495696045 /nfs/dbraw/zinc/69/60/45/495696045.db2.gz UYRJGHXHVWGDAU-SFHVURJKSA-N 1 2 362.433 3.260 10 0 FGAELO CC(C)Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000173794755 495696893 /nfs/dbraw/zinc/69/68/93/495696893.db2.gz PYRQFDMELVWMGQ-HNNXBMFYSA-N 1 2 367.877 3.066 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2cc(F)ccc2C)[NH+]2CCOCC2)s1 ZINC000176562490 495699300 /nfs/dbraw/zinc/69/93/00/495699300.db2.gz VMDKAJBLUVBTQT-QGZVFWFLSA-N 1 2 362.470 3.307 10 0 FGAELO COCc1cccc(C(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)c1 ZINC000176562338 495699747 /nfs/dbraw/zinc/69/97/47/495699747.db2.gz OXRTXDPCYZMEHO-SFHVURJKSA-N 1 2 374.506 3.006 10 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CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000176892401 495830815 /nfs/dbraw/zinc/83/08/15/495830815.db2.gz QXPLJGWCLVXELP-DAOPMYJZSA-N 1 2 353.875 3.393 10 0 FGAELO Cn1c(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)nnc1C1CC1 ZINC000171383709 495848610 /nfs/dbraw/zinc/84/86/10/495848610.db2.gz OHBVLLYNTQXWGS-UHFFFAOYSA-N 1 2 365.456 3.472 10 0 FGAELO Cn1c(C[N@@H+](CCc2ccccn2)Cc2ccc(F)cc2)nnc1C1CC1 ZINC000171383709 495848612 /nfs/dbraw/zinc/84/86/12/495848612.db2.gz OHBVLLYNTQXWGS-UHFFFAOYSA-N 1 2 365.456 3.472 10 0 FGAELO Cc1ncc(CN2CC[NH+](Cc3cn(C)nc3-c3ccccc3)CC2)s1 ZINC000180081082 495849355 /nfs/dbraw/zinc/84/93/55/495849355.db2.gz DWIWTYOYZSRVBV-UHFFFAOYSA-N 1 2 367.522 3.170 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3cn(C)nc3-c3ccccc3)CC2)s1 ZINC000180081082 495849358 /nfs/dbraw/zinc/84/93/58/495849358.db2.gz DWIWTYOYZSRVBV-UHFFFAOYSA-N 1 2 367.522 3.170 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)no1 ZINC000171408195 495860891 /nfs/dbraw/zinc/86/08/91/495860891.db2.gz 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Cc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C2(C)CC2)[NH+]2CCOCC2)s1 ZINC000176574793 495705411 /nfs/dbraw/zinc/70/54/11/495705411.db2.gz HQLVUSRJDPFIBK-HZPDHXFCSA-N 1 2 365.543 3.260 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2ccc(F)cc2F)c2cccs2)CCO1 ZINC000176600223 495715484 /nfs/dbraw/zinc/71/54/84/495715484.db2.gz XXJSCTYUNKELBM-WBMJQRKESA-N 1 2 366.433 3.218 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2ccc(F)cc2F)c2cccs2)CCO1 ZINC000176600223 495715488 /nfs/dbraw/zinc/71/54/88/495715488.db2.gz XXJSCTYUNKELBM-WBMJQRKESA-N 1 2 366.433 3.218 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc(F)c2F)c2cccs2)CCO1 ZINC000176602005 495715969 /nfs/dbraw/zinc/71/59/69/495715969.db2.gz BMDODZLVGMHHRW-WFASDCNBSA-N 1 2 366.433 3.218 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cccc(F)c2F)c2cccs2)CCO1 ZINC000176602005 495715977 /nfs/dbraw/zinc/71/59/77/495715977.db2.gz BMDODZLVGMHHRW-WFASDCNBSA-N 1 2 366.433 3.218 10 0 FGAELO CC[C@@H](Oc1ccccc1C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000176604476 495716619 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495823484 /nfs/dbraw/zinc/82/34/84/495823484.db2.gz UHOURDGIIQANBO-IQGLISFBSA-N 1 2 361.511 3.322 10 0 FGAELO C[C@@H](NC(=O)N(C)CCC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151401259 495828288 /nfs/dbraw/zinc/82/82/88/495828288.db2.gz FPGFCRDKDTUOEA-OAHLLOKOSA-N 1 2 372.469 3.307 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CCC(=O)Nc1ccc(Cl)cc1 ZINC000176890107 495829543 /nfs/dbraw/zinc/82/95/43/495829543.db2.gz CNIWBSBKWUUPNB-QHCPKHFHSA-N 1 2 353.875 3.395 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)no1 ZINC000171408191 495861342 /nfs/dbraw/zinc/86/13/42/495861342.db2.gz GMXTVHMOZATMBV-LBPRGKRZSA-N 1 2 366.824 3.064 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)no1 ZINC000171408191 495861345 /nfs/dbraw/zinc/86/13/45/495861345.db2.gz GMXTVHMOZATMBV-LBPRGKRZSA-N 1 2 366.824 3.064 10 0 FGAELO Cc1nnc([C@@H]2C[N@H+](Cc3ccc(Oc4cccnc4)c(C)c3)CCO2)[nH]1 ZINC000180113621 495863216 /nfs/dbraw/zinc/86/32/16/495863216.db2.gz AKCJUQLWNXINGF-IBGZPJMESA-N 1 2 365.437 3.182 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FGAELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1OCC ZINC000129152561 495204317 /nfs/dbraw/zinc/20/43/17/495204317.db2.gz QXBHWPWSJICUAK-GOSISDBHSA-N 1 2 374.485 3.128 10 0 FGAELO CCCOc1ccc(C[N@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc1OCC ZINC000129152561 495204320 /nfs/dbraw/zinc/20/43/20/495204320.db2.gz QXBHWPWSJICUAK-GOSISDBHSA-N 1 2 374.485 3.128 10 0 FGAELO CC(=O)Nc1nc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cs1 ZINC000134825546 495206936 /nfs/dbraw/zinc/20/69/36/495206936.db2.gz BEADTFXOFLCDEB-INIZCTEOSA-N 1 2 361.442 3.478 10 0 FGAELO CC(=O)Nc1nc(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)cs1 ZINC000134825546 495206941 /nfs/dbraw/zinc/20/69/41/495206941.db2.gz BEADTFXOFLCDEB-INIZCTEOSA-N 1 2 361.442 3.478 10 0 FGAELO C[C@@H](NC(=O)Cn1cc(-c2ccccc2)nn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000135543168 495309191 /nfs/dbraw/zinc/30/91/91/495309191.db2.gz WCDHVTSWYZRFQA-MRXNPFEDSA-N 1 2 372.432 3.008 10 0 FGAELO CCCOc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484115 495382978 /nfs/dbraw/zinc/38/29/78/495382978.db2.gz MTRMDTUUSXKPEG-IBGZPJMESA-N 1 2 356.470 3.042 10 0 FGAELO CCCOc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114484115 495382983 /nfs/dbraw/zinc/38/29/83/495382983.db2.gz MTRMDTUUSXKPEG-IBGZPJMESA-N 1 2 356.470 3.042 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)CCc3ccc(F)cc3F)CC2)s1 ZINC000130454862 495394394 /nfs/dbraw/zinc/39/43/94/495394394.db2.gz CIPYNMGFKPXWNO-UHFFFAOYSA-N 1 2 365.449 3.007 10 0 FGAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(SC)c(F)c1 ZINC000125222732 495409090 /nfs/dbraw/zinc/40/90/90/495409090.db2.gz KIPSCYMFAXDWFO-RISCZKNCSA-N 1 2 350.463 3.471 10 0 FGAELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccc(C)cc3C)CC2)s1 ZINC000106090627 495413252 /nfs/dbraw/zinc/41/32/52/495413252.db2.gz ULMCMSXXOSLRDV-MRXNPFEDSA-N 1 2 372.538 3.213 10 0 FGAELO Cc1noc([C@@H](C)N2CC[NH+](Cc3ccccc3Br)CC2)n1 ZINC000106135693 495418651 /nfs/dbraw/zinc/41/86/51/495418651.db2.gz URUHKFFAOJZEDS-GFCCVEGCSA-N 1 2 365.275 3.019 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000125360025 495432115 /nfs/dbraw/zinc/43/21/15/495432115.db2.gz XWYYBTYGIQCHKO-BXUZGUMPSA-N 1 2 350.850 3.272 10 0 FGAELO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4cc(C)cn4)C3)n2)cc1 ZINC000106221377 495436378 /nfs/dbraw/zinc/43/63/78/495436378.db2.gz GKQIRHWZNAEAJF-KRWDZBQOSA-N 1 2 367.453 3.477 10 0 FGAELO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4cc(C)cn4)C3)n2)cc1 ZINC000106221377 495436382 /nfs/dbraw/zinc/43/63/82/495436382.db2.gz GKQIRHWZNAEAJF-KRWDZBQOSA-N 1 2 367.453 3.477 10 0 FGAELO COC(=O)[C@@H]1[C@H](CI)CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC000114962722 495447968 /nfs/dbraw/zinc/44/79/68/495447968.db2.gz BEFIFBAHIVUKCQ-UBHSHLNASA-N 1 2 373.234 3.046 10 0 FGAELO COC(=O)[C@@H]1[C@H](CI)CC[N@H+]1[C@@H](C)c1ccccc1 ZINC000114962722 495447971 /nfs/dbraw/zinc/44/79/71/495447971.db2.gz BEFIFBAHIVUKCQ-UBHSHLNASA-N 1 2 373.234 3.046 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)NC[C@@H](C)c1ccccc1)C2 ZINC000106373664 495450733 /nfs/dbraw/zinc/45/07/33/495450733.db2.gz WDRHKFLYPTWXMY-SJORKVTESA-N 1 2 368.525 3.210 10 0 FGAELO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1-c1ccc(F)cc1 ZINC000120883117 495477411 /nfs/dbraw/zinc/47/74/11/495477411.db2.gz ZEUCOXRMKCQZIW-QGZVFWFLSA-N 1 2 374.481 3.409 10 0 FGAELO CCOCCN1CC[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C ZINC000120892906 495479924 /nfs/dbraw/zinc/47/99/24/495479924.db2.gz DHDWATQKMADTFN-IBGZPJMESA-N 1 2 369.509 3.203 10 0 FGAELO CCOCCN1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C ZINC000120892906 495479928 /nfs/dbraw/zinc/47/99/28/495479928.db2.gz DHDWATQKMADTFN-IBGZPJMESA-N 1 2 369.509 3.203 10 0 FGAELO O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CCCc2cc(F)ccc21 ZINC000125696921 495484531 /nfs/dbraw/zinc/48/45/31/495484531.db2.gz KAEYYSWQNMJTSH-SFHVURJKSA-N 1 2 352.413 3.393 10 0 FGAELO C[C@H](NC(=O)N(C)Cc1ccc(O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453572 495536268 /nfs/dbraw/zinc/53/62/68/495536268.db2.gz DPGAWCKAXCAFPY-HNNXBMFYSA-N 1 2 350.422 3.481 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000170651868 495548412 /nfs/dbraw/zinc/54/84/12/495548412.db2.gz IYGZYCCQCNTCMR-LSDHHAIUSA-N 1 2 365.905 3.356 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2Cl)C1 ZINC000170651868 495548419 /nfs/dbraw/zinc/54/84/19/495548419.db2.gz IYGZYCCQCNTCMR-LSDHHAIUSA-N 1 2 365.905 3.356 10 0 FGAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182458965 495571648 /nfs/dbraw/zinc/57/16/48/495571648.db2.gz JPDXZJWHDSINAB-SFHVURJKSA-N 1 2 350.426 3.032 10 0 FGAELO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000176316620 495595942 /nfs/dbraw/zinc/59/59/42/495595942.db2.gz VODWWOIEZUQALW-SFHVURJKSA-N 1 2 370.497 3.258 10 0 FGAELO CC[N@H+]1CCC[C@H]1CN(C)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000176316620 495595947 /nfs/dbraw/zinc/59/59/47/495595947.db2.gz VODWWOIEZUQALW-SFHVURJKSA-N 1 2 370.497 3.258 10 0 FGAELO CCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173655898 495637281 /nfs/dbraw/zinc/63/72/81/495637281.db2.gz UNGJIMCAXIDPNZ-HNNXBMFYSA-N 1 2 362.433 3.251 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)[nH]1 ZINC000173665373 495639141 /nfs/dbraw/zinc/63/91/41/495639141.db2.gz WPEHLTAMRMNLQZ-GOSISDBHSA-N 1 2 374.448 3.001 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](Cc3c(-c4ccccc4)nc4ccccn43)CCO2)[nH]1 ZINC000173665373 495639147 /nfs/dbraw/zinc/63/91/47/495639147.db2.gz WPEHLTAMRMNLQZ-GOSISDBHSA-N 1 2 374.448 3.001 10 0 FGAELO CCc1nnc([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)CCO2)[nH]1 ZINC000173686944 495648288 /nfs/dbraw/zinc/64/82/88/495648288.db2.gz VMPJHSQTJRBYHF-HNNXBMFYSA-N 1 2 355.467 3.064 10 0 FGAELO CCc1nnc([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)s3)CCO2)[nH]1 ZINC000173686944 495648295 /nfs/dbraw/zinc/64/82/95/495648295.db2.gz VMPJHSQTJRBYHF-HNNXBMFYSA-N 1 2 355.467 3.064 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cccc2cc[nH]c21 ZINC000176527313 495684908 /nfs/dbraw/zinc/68/49/08/495684908.db2.gz RURBHPZWBUQOPC-QGZVFWFLSA-N 1 2 369.490 3.375 10 0 FGAELO Cc1nc(-c2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)cs1 ZINC000173790060 495694329 /nfs/dbraw/zinc/69/43/29/495694329.db2.gz OHRYXDXZEBNGEX-KRWDZBQOSA-N 1 2 372.494 3.057 10 0 FGAELO Cc1ccc([C@H](CNC(=O)CCc2cccc(C)c2)[NH+]2CCOCC2)s1 ZINC000176550972 495694371 /nfs/dbraw/zinc/69/43/71/495694371.db2.gz BTQVLJCWFRFPJY-IBGZPJMESA-N 1 2 372.534 3.487 10 0 FGAELO Cc1ccc([C@H](CNC(=O)c2ccc(C)c(C)c2)[NH+]2CCOCC2)s1 ZINC000176562076 495699630 /nfs/dbraw/zinc/69/96/30/495699630.db2.gz XTLHEDRGTKEIAA-SFHVURJKSA-N 1 2 358.507 3.477 10 0 FGAELO C[C@H]1CN(C(=O)CSc2ccc3ccccc3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173805178 495700799 /nfs/dbraw/zinc/70/07/99/495700799.db2.gz WXWRPKVKRQVXJB-JXFKEZNVSA-N 1 2 370.518 3.111 10 0 FGAELO C[C@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173810450 495702440 /nfs/dbraw/zinc/70/24/40/495702440.db2.gz UGDVVBVPKQQREW-UWJYYQICSA-N 1 2 372.509 3.191 10 0 FGAELO C[C@H]1CN(C(=O)c2ccc(OC3CCCCC3)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173810486 495702851 /nfs/dbraw/zinc/70/28/51/495702851.db2.gz UGDVVBVPKQQREW-LAUBAEHRSA-N 1 2 372.509 3.191 10 0 FGAELO Cc1csc([C@@H]2C[N@H+](Cc3cccc(C(=O)NCC(C)C)c3)CCO2)n1 ZINC000171057654 495705558 /nfs/dbraw/zinc/70/55/58/495705558.db2.gz SUQLOZRJFBSYJJ-SFHVURJKSA-N 1 2 373.522 3.411 10 0 FGAELO Cc1csc([C@@H]2C[N@@H+](Cc3cccc(C(=O)NCC(C)C)c3)CCO2)n1 ZINC000171057654 495705563 /nfs/dbraw/zinc/70/55/63/495705563.db2.gz SUQLOZRJFBSYJJ-SFHVURJKSA-N 1 2 373.522 3.411 10 0 FGAELO CCn1cc(C2CC[NH+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)cn1 ZINC000173877111 495728860 /nfs/dbraw/zinc/72/88/60/495728860.db2.gz MRTOBXCIUSUZAH-OAHLLOKOSA-N 1 2 361.490 3.399 10 0 FGAELO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(Cl)c1Cl ZINC000173891232 495734108 /nfs/dbraw/zinc/73/41/08/495734108.db2.gz AGGYRRWSYPBOTM-QWHCGFSZSA-N 1 2 372.296 3.171 10 0 FGAELO CC(C)C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1nc(-c2nc[nH]n2)no1 ZINC000179810138 495744100 /nfs/dbraw/zinc/74/41/00/495744100.db2.gz YWBBVXHZPGSJKH-CMPLNLGQSA-N 1 2 361.837 3.341 10 0 FGAELO C[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173921904 495747971 /nfs/dbraw/zinc/74/79/71/495747971.db2.gz GCKSJEXKSZBVPN-ORAYPTAESA-N 1 2 351.381 3.192 10 0 FGAELO C[C@H](NC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173921882 495748407 /nfs/dbraw/zinc/74/84/07/495748407.db2.gz GCKSJEXKSZBVPN-DJJJIMSYSA-N 1 2 351.381 3.192 10 0 FGAELO c1csc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CCOCC3)s2)n1 ZINC000179829885 495751436 /nfs/dbraw/zinc/75/14/36/495751436.db2.gz RTYOQIAEHZRTJV-AWEZNQCLSA-N 1 2 350.513 3.163 10 0 FGAELO c1csc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)n1 ZINC000179829885 495751443 /nfs/dbraw/zinc/75/14/43/495751443.db2.gz RTYOQIAEHZRTJV-AWEZNQCLSA-N 1 2 350.513 3.163 10 0 FGAELO C[C@@H](NC(=O)c1cnc2ccccc2c1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000173929383 495752119 /nfs/dbraw/zinc/75/21/19/495752119.db2.gz KBHKRAFDCBBUCH-CQSZACIVSA-N 1 2 358.401 3.205 10 0 FGAELO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173932518 495753286 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ZINC000101565417 495078658 /nfs/dbraw/zinc/07/86/58/495078658.db2.gz LOQQSISXHRDKCG-CYBMUJFWSA-N 1 2 371.403 3.025 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000101565417 495078662 /nfs/dbraw/zinc/07/86/62/495078662.db2.gz LOQQSISXHRDKCG-CYBMUJFWSA-N 1 2 371.403 3.025 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000101564337 495078866 /nfs/dbraw/zinc/07/88/66/495078866.db2.gz HZWWNRGOALRVHD-GOEBONIOSA-N 1 2 365.905 3.356 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000101564337 495078868 /nfs/dbraw/zinc/07/88/68/495078868.db2.gz HZWWNRGOALRVHD-GOEBONIOSA-N 1 2 365.905 3.356 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000119191602 495114015 /nfs/dbraw/zinc/11/40/15/495114015.db2.gz SKBDPUXBOAMYGG-DEOSSOPVSA-N 1 2 363.874 3.147 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[C@H](C)C3)CC2)s1 ZINC000111839015 495118600 /nfs/dbraw/zinc/11/86/00/495118600.db2.gz 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C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000104798385 495306601 /nfs/dbraw/zinc/30/66/01/495306601.db2.gz AUFJCYUBTQHNDC-OALUTQOASA-N 1 2 373.884 3.059 10 0 FGAELO C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000104798385 495306604 /nfs/dbraw/zinc/30/66/04/495306604.db2.gz AUFJCYUBTQHNDC-OALUTQOASA-N 1 2 373.884 3.059 10 0 FGAELO CC(C)[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000104795653 495307057 /nfs/dbraw/zinc/30/70/57/495307057.db2.gz PWLVAMBYEPNIKC-HZPDHXFCSA-N 1 2 373.419 3.032 10 0 FGAELO CC(C)[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1cccc(C(F)(F)F)c1 ZINC000104795653 495307058 /nfs/dbraw/zinc/30/70/58/495307058.db2.gz PWLVAMBYEPNIKC-HZPDHXFCSA-N 1 2 373.419 3.032 10 0 FGAELO O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1OC(F)F ZINC000114202928 495353829 /nfs/dbraw/zinc/35/38/29/495353829.db2.gz HJOKJFMJWSSGTI-CQSZACIVSA-N 1 2 350.369 3.177 10 0 FGAELO O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)Nc1ccccc1OC(F)F ZINC000114202928 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3.440 10 0 FGAELO Cc1ccccc1[C@@H](CC(C)C)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173909595 495743578 /nfs/dbraw/zinc/74/35/78/495743578.db2.gz OXMBPNDCFQQFNW-AZUAARDMSA-N 1 2 359.514 3.198 10 0 FGAELO C[C@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936393 495753802 /nfs/dbraw/zinc/75/38/02/495753802.db2.gz YLZRFUYNGLPYKO-HNNXBMFYSA-N 1 2 359.429 3.421 10 0 FGAELO C[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173942396 495756675 /nfs/dbraw/zinc/75/66/75/495756675.db2.gz MLXRTVPXLCZLMU-OAHLLOKOSA-N 1 2 362.433 3.065 10 0 FGAELO CC(C)CCn1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000173953357 495761116 /nfs/dbraw/zinc/76/11/16/495761116.db2.gz WYGFVIRFVBYMMS-OAHLLOKOSA-N 1 2 352.442 3.001 10 0 FGAELO CC(C)CCn1cc(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nn1 ZINC000173953345 495761589 /nfs/dbraw/zinc/76/15/89/495761589.db2.gz WYGFVIRFVBYMMS-HNNXBMFYSA-N 1 2 352.442 3.001 10 0 FGAELO Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1F ZINC000173967943 495768773 /nfs/dbraw/zinc/76/87/73/495768773.db2.gz WZDGUDIZUBRVGW-AWEZNQCLSA-N 1 2 359.426 3.359 10 0 FGAELO CCc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)o2)cc1 ZINC000174012868 495788362 /nfs/dbraw/zinc/78/83/62/495788362.db2.gz HUDRZLILEFDRNH-SFHVURJKSA-N 1 2 354.450 3.056 10 0 FGAELO C[C@@H](Oc1ccccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000151310225 495800934 /nfs/dbraw/zinc/80/09/34/495800934.db2.gz PVEKFLYEECNLCV-SJLPKXTDSA-N 1 2 369.465 3.279 10 0 FGAELO C[C@@H](Oc1ccccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000151310225 495800938 /nfs/dbraw/zinc/80/09/38/495800938.db2.gz PVEKFLYEECNLCV-SJLPKXTDSA-N 1 2 369.465 3.279 10 0 FGAELO CCC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179966432 495803153 /nfs/dbraw/zinc/80/31/53/495803153.db2.gz PDTYPFSTWGWULP-RRQGHBQHSA-N 1 2 371.884 3.075 10 0 FGAELO CCC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179966432 495803156 /nfs/dbraw/zinc/80/31/56/495803156.db2.gz PDTYPFSTWGWULP-RRQGHBQHSA-N 1 2 371.884 3.075 10 0 FGAELO Cc1cc(Cl)ccc1NC(=O)C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176879796 495822761 /nfs/dbraw/zinc/82/27/61/495822761.db2.gz HBOVAHBHMYJDRM-QHCPKHFHSA-N 1 2 353.875 3.313 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000176879955 495823608 /nfs/dbraw/zinc/82/36/08/495823608.db2.gz CJAVSCQAHUZOJM-DAOPMYJZSA-N 1 2 353.875 3.393 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)no1 ZINC000171406018 495860066 /nfs/dbraw/zinc/86/00/66/495860066.db2.gz WMPGRRFMYGDVNW-JSGCOSHPSA-N 1 2 362.861 3.313 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3Cl)C2)no1 ZINC000171406018 495860072 /nfs/dbraw/zinc/86/00/72/495860072.db2.gz WMPGRRFMYGDVNW-JSGCOSHPSA-N 1 2 362.861 3.313 10 0 FGAELO CCc1nc(C2([NH2+]C[C@H](O)COc3cc(C)cc(C)c3)CCCC2)no1 ZINC000174234930 495875322 /nfs/dbraw/zinc/87/53/22/495875322.db2.gz HEEYTJUBSUDTOB-INIZCTEOSA-N 1 2 359.470 3.048 10 0 FGAELO CC(C)c1nc(C2([NH2+]C[C@@H](O)COCc3ccccc3)CCCC2)no1 ZINC000174242904 495878444 /nfs/dbraw/zinc/87/84/44/495878444.db2.gz LNHFSAGUPSLIGZ-QGZVFWFLSA-N 1 2 359.470 3.130 10 0 FGAELO O=c1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c2ccc(O)cc2o1 ZINC000180159646 495885901 /nfs/dbraw/zinc/88/59/01/495885901.db2.gz ISWORZMDRSKDJY-KBXCAEBGSA-N 1 2 373.355 3.085 10 0 FGAELO O=c1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c2ccc(O)cc2o1 ZINC000180159646 495885905 /nfs/dbraw/zinc/88/59/05/495885905.db2.gz ISWORZMDRSKDJY-KBXCAEBGSA-N 1 2 373.355 3.085 10 0 FGAELO CCc1cc2c(C[N@@H+]3CCO[C@H](c4nccs4)C3)cc(=O)oc2cc1O ZINC000171666972 495980788 /nfs/dbraw/zinc/98/07/88/495980788.db2.gz JORUCMXXKHVMNA-KRWDZBQOSA-N 1 2 372.446 3.091 10 0 FGAELO CCc1cc2c(C[N@H+]3CCO[C@H](c4nccs4)C3)cc(=O)oc2cc1O ZINC000171666972 495980795 /nfs/dbraw/zinc/98/07/95/495980795.db2.gz JORUCMXXKHVMNA-KRWDZBQOSA-N 1 2 372.446 3.091 10 0 FGAELO O=C(Nc1ccc(OC2CCCC2)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180458529 496003974 /nfs/dbraw/zinc/00/39/74/496003974.db2.gz BGDDHFRHQRVUCM-MRXNPFEDSA-N 1 2 355.442 3.296 10 0 FGAELO O=C(c1cccc(C(F)F)c1)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171814006 496046766 /nfs/dbraw/zinc/04/67/66/496046766.db2.gz VUPBIQBDCNXGAA-GOSISDBHSA-N 1 2 360.404 3.116 10 0 FGAELO CC(C)[C@]1(C)C[C@H]1C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000186601608 496067336 /nfs/dbraw/zinc/06/73/36/496067336.db2.gz RSBLDKZGSJXOIO-BXWFABGCSA-N 1 2 350.528 3.262 10 0 FGAELO CC[C@H](C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1)c1ccc(OC)cc1 ZINC000180633667 496078946 /nfs/dbraw/zinc/07/89/46/496078946.db2.gz IQGUKEJTLNOYDT-IBGZPJMESA-N 1 2 373.522 3.298 10 0 FGAELO CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000177500058 496087830 /nfs/dbraw/zinc/08/78/30/496087830.db2.gz QAEFIIMSKQCXSA-DLBZAZTESA-N 1 2 370.415 3.132 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000177700582 496163351 /nfs/dbraw/zinc/16/33/51/496163351.db2.gz YJUPNUGKSUGQAY-OAHLLOKOSA-N 1 2 357.267 3.469 10 0 FGAELO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000177700582 496163355 /nfs/dbraw/zinc/16/33/55/496163355.db2.gz YJUPNUGKSUGQAY-OAHLLOKOSA-N 1 2 357.267 3.469 10 0 FGAELO COc1ccc(Cl)cc1NCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177738984 496179633 /nfs/dbraw/zinc/17/96/33/496179633.db2.gz UMYQOTFKGVFEMT-OAHLLOKOSA-N 1 2 362.861 3.038 10 0 FGAELO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177742071 496181093 /nfs/dbraw/zinc/18/10/93/496181093.db2.gz DDAWNWOKAUSJNX-OAHLLOKOSA-N 1 2 374.872 3.436 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)N(C)C2CCCC2)c2cccs2)CCO1 ZINC000175029315 496216716 /nfs/dbraw/zinc/21/67/16/496216716.db2.gz FKEZDNFWBVXNBE-HOCLYGCPSA-N 1 2 351.516 3.094 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)N(C)C2CCCC2)c2cccs2)CCO1 ZINC000175029315 496216721 /nfs/dbraw/zinc/21/67/21/496216721.db2.gz FKEZDNFWBVXNBE-HOCLYGCPSA-N 1 2 351.516 3.094 10 0 FGAELO CCc1nc(C2(NC(=O)Cn3c(CC)[nH+]c4ccccc43)CCCC2)no1 ZINC000175133906 496261418 /nfs/dbraw/zinc/26/14/18/496261418.db2.gz LVOBOQXJUUAOCZ-UHFFFAOYSA-N 1 2 367.453 3.130 10 0 FGAELO CC(C)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000152810520 496264234 /nfs/dbraw/zinc/26/42/34/496264234.db2.gz UJGKCQOODLKBSC-CYBMUJFWSA-N 1 2 370.291 3.025 10 0 FGAELO CC(C)c1cc(Br)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000152810520 496264239 /nfs/dbraw/zinc/26/42/39/496264239.db2.gz UJGKCQOODLKBSC-CYBMUJFWSA-N 1 2 370.291 3.025 10 0 FGAELO CC[C@@H](NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)c1ccncc1 ZINC000175293026 496326526 /nfs/dbraw/zinc/32/65/26/496326526.db2.gz WITHXJUIZFBCCU-GOSISDBHSA-N 1 2 373.526 3.215 10 0 FGAELO CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1)c1ccncc1 ZINC000175293026 496326529 /nfs/dbraw/zinc/32/65/29/496326529.db2.gz WITHXJUIZFBCCU-GOSISDBHSA-N 1 2 373.526 3.215 10 0 FGAELO Cc1csc(NC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)n1 ZINC000175358149 496354991 /nfs/dbraw/zinc/35/49/91/496354991.db2.gz DXPXXBQNXQJSEC-ZDUSSCGKSA-N 1 2 366.512 3.016 10 0 FGAELO O=C(c1ccc(Oc2ccccc2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172762245 496419883 /nfs/dbraw/zinc/41/98/83/496419883.db2.gz AZWDVWXIHHREBP-GOSISDBHSA-N 1 2 352.434 3.026 10 0 FGAELO COC[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1ccco1 ZINC000175602097 496459699 /nfs/dbraw/zinc/45/96/99/496459699.db2.gz YGWOLOFPLZXKKN-WMLDXEAASA-N 1 2 354.410 3.213 10 0 FGAELO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000163443262 496516424 /nfs/dbraw/zinc/51/64/24/496516424.db2.gz JFWBHILYRSVDJV-BFHYXJOUSA-N 1 2 356.392 3.081 10 0 FGAELO O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000157630202 496519442 /nfs/dbraw/zinc/51/94/42/496519442.db2.gz LSOJNEDRNOUQGF-AEFFLSMTSA-N 1 2 359.470 3.126 10 0 FGAELO CC(C)CO[C@H](C)c1noc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)n1 ZINC000181737960 496524839 /nfs/dbraw/zinc/52/48/39/496524839.db2.gz ALZVLXMWJXLLIV-UONOGXRCSA-N 1 2 361.442 3.425 10 0 FGAELO Cc1cc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1C(N)=O ZINC000173082579 496543170 /nfs/dbraw/zinc/54/31/70/496543170.db2.gz ZOQKVMWVURKFBU-AWEZNQCLSA-N 1 2 363.421 3.162 10 0 FGAELO C[C@@H](NC(=O)[C@H](C)Oc1cccc(CO)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000163762818 496555247 /nfs/dbraw/zinc/55/52/47/496555247.db2.gz GMAIBMWSLXYMHK-CVEARBPZSA-N 1 2 365.433 3.009 10 0 FGAELO CCc1nc(C2([NH2+]CCC(=O)Nc3ccc(OC)cc3)CCCC2)no1 ZINC000181927849 496602882 /nfs/dbraw/zinc/60/28/82/496602882.db2.gz DRQVBBCOJAVQCZ-UHFFFAOYSA-N 1 2 358.442 3.028 10 0 FGAELO COC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000182106308 496671472 /nfs/dbraw/zinc/67/14/72/496671472.db2.gz PCBFFXCKSFSIQB-HNNXBMFYSA-N 1 2 359.426 3.196 10 0 FGAELO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000182106308 496671476 /nfs/dbraw/zinc/67/14/76/496671476.db2.gz PCBFFXCKSFSIQB-HNNXBMFYSA-N 1 2 359.426 3.196 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3ccccc3s2)nc[nH+]1 ZINC000173414488 496682451 /nfs/dbraw/zinc/68/24/51/496682451.db2.gz DLPCNUUJPUGVJJ-CQSZACIVSA-N 1 2 367.478 3.132 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cc3ccccc3s2)[nH+]cn1 ZINC000173414488 496682455 /nfs/dbraw/zinc/68/24/55/496682455.db2.gz DLPCNUUJPUGVJJ-CQSZACIVSA-N 1 2 367.478 3.132 10 0 FGAELO CCc1ccc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c(O)c1 ZINC000188240747 496721480 /nfs/dbraw/zinc/72/14/80/496721480.db2.gz BOPKAKAATWRJCW-QGZVFWFLSA-N 1 2 374.506 3.162 10 0 FGAELO CC(C)c1nnc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)n1C ZINC000195084940 496816354 /nfs/dbraw/zinc/81/63/54/496816354.db2.gz HACBGFCVVQGMMG-UHFFFAOYSA-N 1 2 350.413 3.260 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)cn1 ZINC000191701779 496859150 /nfs/dbraw/zinc/85/91/50/496859150.db2.gz HWFLIOKTYDWGOD-SFHVURJKSA-N 1 2 355.417 3.006 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)CCO2)cn1 ZINC000191701779 496859155 /nfs/dbraw/zinc/85/91/55/496859155.db2.gz HWFLIOKTYDWGOD-SFHVURJKSA-N 1 2 355.417 3.006 10 0 FGAELO CCCOc1ccc(C[N@@H+]2CCO[C@@H](c3cnn(CC)c3)C2)cc1OC ZINC000191707540 496861464 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FGAELO CCc1cc(N2CCC[C@H](Cc3noc(C)n3)C2)nc(-c2ccncc2)[nH+]1 ZINC000264549939 496926314 /nfs/dbraw/zinc/92/63/14/496926314.db2.gz IMUHOQGYTPIDQI-OAHLLOKOSA-N 1 2 364.453 3.252 10 0 FGAELO C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(c2ccnn2C)CC1 ZINC000195501853 496942090 /nfs/dbraw/zinc/94/20/90/496942090.db2.gz FQHWDFDWWRQHNT-GFCCVEGCSA-N 1 2 364.852 3.419 10 0 FGAELO O[C@@H](C[NH+]1CCC(c2ccn[nH]2)CC1)c1cccc(Br)c1 ZINC000195507636 496944870 /nfs/dbraw/zinc/94/48/70/496944870.db2.gz SSHHEMWUCMKIPW-INIZCTEOSA-N 1 2 350.260 3.085 10 0 FGAELO CCc1cc2c(C[NH+]3CCC(c4ccn[nH]4)CC3)cc(=O)oc2cc1O ZINC000195506290 496945176 /nfs/dbraw/zinc/94/51/76/496945176.db2.gz RMYFKYZWYHBTAP-UHFFFAOYSA-N 1 2 353.422 3.164 10 0 FGAELO CN(C)C(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511456 496946492 /nfs/dbraw/zinc/94/64/92/496946492.db2.gz WSMWMBSTUSDMOM-GOSISDBHSA-N 1 2 367.497 3.043 10 0 FGAELO CN(C)C(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511456 496946496 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352.425 3.128 10 0 FGAELO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H](C)c1nnc3n1CCCC3)CCC2 ZINC000192911311 497244123 /nfs/dbraw/zinc/24/41/23/497244123.db2.gz XWLFKTUFLOQWSR-ZIAGYGMSSA-N 1 2 372.469 3.421 10 0 FGAELO CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000250210910 497263170 /nfs/dbraw/zinc/26/31/70/497263170.db2.gz OEVAWYDYDCYHNM-DFQSSKMNSA-N 1 2 359.514 3.075 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(c1ncccc1C(=O)N1CCCCC1)C2 ZINC000266187135 497276587 /nfs/dbraw/zinc/27/65/87/497276587.db2.gz BEPQVRPSNMVURH-UHFFFAOYSA-N 1 2 367.497 3.127 10 0 FGAELO Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000193701017 497450755 /nfs/dbraw/zinc/45/07/55/497450755.db2.gz DTCOMMVCQPGFJB-HNNXBMFYSA-N 1 2 358.404 3.154 10 0 FGAELO Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000193701017 497450761 /nfs/dbraw/zinc/45/07/61/497450761.db2.gz DTCOMMVCQPGFJB-HNNXBMFYSA-N 1 2 358.404 3.154 10 0 FGAELO C[C@H](Nc1cc(N2CCC[C@H]2CO)nc[nH+]1)c1ccc(OC(F)F)cc1 ZINC000267272228 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VRIXNACDSLBKMR-OWCLPIDISA-N 1 2 365.543 3.340 10 0 FGAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246079713 497614522 /nfs/dbraw/zinc/61/45/22/497614522.db2.gz DEIRHNRCYKGVRE-KGLIPLIRSA-N 1 2 360.408 3.121 10 0 FGAELO C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246079713 497614525 /nfs/dbraw/zinc/61/45/25/497614525.db2.gz DEIRHNRCYKGVRE-KGLIPLIRSA-N 1 2 360.408 3.121 10 0 FGAELO Cc1cnn(C[C@H]2C[N@H+]([C@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000246561026 497774630 /nfs/dbraw/zinc/77/46/30/497774630.db2.gz KNQNDAVJSOBJRP-RHSMWYFYSA-N 1 2 364.287 3.416 10 0 FGAELO Cc1cnn(C[C@H]2C[N@@H+]([C@H](C)c3ccc(Br)cc3)CCO2)c1 ZINC000246561026 497774635 /nfs/dbraw/zinc/77/46/35/497774635.db2.gz KNQNDAVJSOBJRP-RHSMWYFYSA-N 1 2 364.287 3.416 10 0 FGAELO Cc1ccc(-c2nc(CN3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)cs2)cc1 ZINC000246604843 497787200 /nfs/dbraw/zinc/78/72/00/497787200.db2.gz XQQQUMOTUXZJPH-LPHOPBHVSA-N 1 2 357.523 3.271 10 0 FGAELO Cc1cc(N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)nc(-c2ccncc2)[nH+]1 ZINC000246676812 497798831 /nfs/dbraw/zinc/79/88/31/497798831.db2.gz LPEQFWOFNSPBJJ-QAPCUYQASA-N 1 2 368.387 3.438 10 0 FGAELO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCCC[C@H]1c1nccs1 ZINC000246895564 497819158 /nfs/dbraw/zinc/81/91/58/497819158.db2.gz CFWLDOOYLNLCRC-ROUUACIJSA-N 1 2 371.506 3.098 10 0 FGAELO O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCCC[C@H]1c1nccs1 ZINC000246895564 497819159 /nfs/dbraw/zinc/81/91/59/497819159.db2.gz CFWLDOOYLNLCRC-ROUUACIJSA-N 1 2 371.506 3.098 10 0 FGAELO FC(F)(F)c1ccnc(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000301618749 498189868 /nfs/dbraw/zinc/18/98/68/498189868.db2.gz DDDKQXUHDYNNQA-IAGOWNOFSA-N 1 2 363.383 3.190 10 0 FGAELO FC(F)(F)c1ccnc(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000301618749 498189873 /nfs/dbraw/zinc/18/98/73/498189873.db2.gz DDDKQXUHDYNNQA-IAGOWNOFSA-N 1 2 363.383 3.190 10 0 FGAELO CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC([C@@H](C)O)CC1 ZINC000301670336 498215349 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Cn1c2c([nH+]c1[C@H]1CCCN1c1ncc(Br)cn1)CCCC2 ZINC000275603379 527094400 /nfs/dbraw/zinc/09/44/00/527094400.db2.gz LAHCKVLAWSKGSZ-CQSZACIVSA-N 1 2 362.275 3.193 10 0 FGAELO C[C@H](NC(=O)NCCNc1cccc[nH+]1)c1ccccc1Br ZINC000045571814 695823413 /nfs/dbraw/zinc/82/34/13/695823413.db2.gz HNOPSJQZVIKNOL-LBPRGKRZSA-N 1 2 363.259 3.316 10 0 FGAELO C[C@@H](NC(=O)NC[C@H](O)c1ccsc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000076471010 700233466 /nfs/dbraw/zinc/23/34/66/700233466.db2.gz ONCOZLKVSAAUSE-DYVFJYSZSA-N 1 2 356.451 3.028 10 0 FGAELO C[C@H]([NH2+]Cc1cc(=O)n2ccsc2n1)c1ccccc1Br ZINC000120958224 700662883 /nfs/dbraw/zinc/66/28/83/700662883.db2.gz VCBNHJSBTCQVDA-JTQLQIEISA-N 1 2 364.268 3.369 10 0 FGAELO O[C@H](C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccccc1Br ZINC000152881294 704977368 /nfs/dbraw/zinc/97/73/68/704977368.db2.gz YMKLRIUFDWCMFD-MRXNPFEDSA-N 1 2 350.260 3.085 10 0 FGAELO C[C@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(Cl)s1 ZINC000183004898 705873505 /nfs/dbraw/zinc/87/35/05/705873505.db2.gz 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1 2 365.543 3.245 10 0 FGAELO CCCCOC[C@H](O)C[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000195180814 496842201 /nfs/dbraw/zinc/84/22/01/496842201.db2.gz ARUIWVHCHNKMAL-SJORKVTESA-N 1 2 361.404 3.256 10 0 FGAELO CCCCOC[C@H](O)C[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000195180814 496842206 /nfs/dbraw/zinc/84/22/06/496842206.db2.gz ARUIWVHCHNKMAL-SJORKVTESA-N 1 2 361.404 3.256 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(Cl)cc2)no1 ZINC000195373969 496905304 /nfs/dbraw/zinc/90/53/04/496905304.db2.gz AKSJCQWBGLLJNI-HOCLYGCPSA-N 1 2 365.861 3.423 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2)no1 ZINC000195373969 496905312 /nfs/dbraw/zinc/90/53/12/496905312.db2.gz AKSJCQWBGLLJNI-HOCLYGCPSA-N 1 2 365.861 3.423 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)NC[C@H](C)c1ccccc1)C2 ZINC000247815753 496919088 /nfs/dbraw/zinc/91/90/88/496919088.db2.gz WDRHKFLYPTWXMY-DLBZAZTESA-N 1 2 368.525 3.210 10 0 FGAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000195506810 496945238 /nfs/dbraw/zinc/94/52/38/496945238.db2.gz WHOGCNSMGFPYAG-UHFFFAOYSA-N 1 2 352.360 3.247 10 0 FGAELO Cc1cnn(C[C@@H]2C[N@H+]([C@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000248136832 496960123 /nfs/dbraw/zinc/96/01/23/496960123.db2.gz PDWBEEVVNTVICY-PBHICJAKSA-N 1 2 364.287 3.416 10 0 FGAELO Cc1cnn(C[C@@H]2C[N@@H+]([C@H](C)c3cccc(Br)c3)CCO2)c1 ZINC000248136832 496960125 /nfs/dbraw/zinc/96/01/25/496960125.db2.gz PDWBEEVVNTVICY-PBHICJAKSA-N 1 2 364.287 3.416 10 0 FGAELO Cn1nccc1C1CC[NH+](Cc2noc(-c3ccc(F)cc3F)n2)CC1 ZINC000188988799 496970703 /nfs/dbraw/zinc/97/07/03/496970703.db2.gz MHZKVPXOTXVEDM-UHFFFAOYSA-N 1 2 359.380 3.128 10 0 FGAELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000188989524 496970892 /nfs/dbraw/zinc/97/08/92/496970892.db2.gz RTNBPIUEHJIOLA-GFCCVEGCSA-N 1 2 374.395 3.006 10 0 FGAELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000188989524 496970899 /nfs/dbraw/zinc/97/08/99/496970899.db2.gz RTNBPIUEHJIOLA-GFCCVEGCSA-N 1 2 374.395 3.006 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1noc(-c3ccc(F)cc3F)n1)C2 ZINC000189015689 496979061 /nfs/dbraw/zinc/97/90/61/496979061.db2.gz YPXXQDDQEPQVDN-UHFFFAOYSA-N 1 2 373.407 3.430 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3noc(-c4ccc(F)cc4F)n3)C2)c1 ZINC000189013940 496979251 /nfs/dbraw/zinc/97/92/51/496979251.db2.gz DNCCLTZQJZZTJG-CQSZACIVSA-N 1 2 359.380 3.357 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3noc(-c4ccc(F)cc4F)n3)C2)c1 ZINC000189013940 496979255 /nfs/dbraw/zinc/97/92/55/496979255.db2.gz DNCCLTZQJZZTJG-CQSZACIVSA-N 1 2 359.380 3.357 10 0 FGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCC[C@@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000248343390 496981881 /nfs/dbraw/zinc/98/18/81/496981881.db2.gz KGFPKNAPQQNBGH-QBPKDAKJSA-N 1 2 365.543 3.340 10 0 FGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCC[C@@H](C)[C@H]2C)c2cccs2)CCO1 ZINC000248343390 496981886 /nfs/dbraw/zinc/98/18/86/496981886.db2.gz KGFPKNAPQQNBGH-QBPKDAKJSA-N 1 2 365.543 3.340 10 0 FGAELO 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497056973 /nfs/dbraw/zinc/05/69/73/497056973.db2.gz QHBOEMRALWCXHK-BFHYXJOUSA-N 1 2 364.490 3.102 10 0 FGAELO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3noc(C(C)(C)C)n3)C[C@H]21 ZINC000248610591 497056979 /nfs/dbraw/zinc/05/69/79/497056979.db2.gz QHBOEMRALWCXHK-BFHYXJOUSA-N 1 2 364.490 3.102 10 0 FGAELO COc1ncccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248722785 497088446 /nfs/dbraw/zinc/08/84/46/497088446.db2.gz GMLBHQDHSMRRCM-CVEARBPZSA-N 1 2 352.356 3.417 10 0 FGAELO COc1ncccc1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248722785 497088447 /nfs/dbraw/zinc/08/84/47/497088447.db2.gz GMLBHQDHSMRRCM-CVEARBPZSA-N 1 2 352.356 3.417 10 0 FGAELO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000249293532 497188448 /nfs/dbraw/zinc/18/84/48/497188448.db2.gz BLKQDQXWGDXTPC-RVKKMQEKSA-N 1 2 350.890 3.360 10 0 FGAELO CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000253353255 497326240 /nfs/dbraw/zinc/32/62/40/497326240.db2.gz 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ZINC000190914874 497644021 /nfs/dbraw/zinc/64/40/21/497644021.db2.gz ZQAUEXAMQWKJSS-LYGPFTKASA-N 1 2 356.470 3.438 10 0 FGAELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3C)CCO2)[nH]1 ZINC000191037676 497690220 /nfs/dbraw/zinc/69/02/20/497690220.db2.gz FFIHSRNAOUSXMT-CQSZACIVSA-N 1 2 354.376 3.268 10 0 FGAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3C)CCO2)[nH]1 ZINC000191037676 497690226 /nfs/dbraw/zinc/69/02/26/497690226.db2.gz FFIHSRNAOUSXMT-CQSZACIVSA-N 1 2 354.376 3.268 10 0 FGAELO CCc1nc([C@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3C)CCO2)n[nH]1 ZINC000191037676 497690233 /nfs/dbraw/zinc/69/02/33/497690233.db2.gz FFIHSRNAOUSXMT-CQSZACIVSA-N 1 2 354.376 3.268 10 0 FGAELO CCc1nc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3C)CCO2)n[nH]1 ZINC000191037676 497690239 /nfs/dbraw/zinc/69/02/39/497690239.db2.gz FFIHSRNAOUSXMT-CQSZACIVSA-N 1 2 354.376 3.268 10 0 FGAELO CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390956 497718292 /nfs/dbraw/zinc/71/82/92/497718292.db2.gz 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CC(C)c1cccc(NC(=O)C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000106081307 495410654 /nfs/dbraw/zinc/41/06/54/495410654.db2.gz FCUDMKQCBHAJNW-UHFFFAOYSA-N 1 2 353.470 3.115 10 0 FGAELO CCc1noc([C@@H](C)N2CC[NH+](CCSc3ccccc3F)CC2)n1 ZINC000106139435 495419433 /nfs/dbraw/zinc/41/94/33/495419433.db2.gz VSYFZOOXTMOERL-CQSZACIVSA-N 1 2 364.490 3.242 10 0 FGAELO Cc1cc(C)n(C[C@H]2C[N@H+](CCc3c(F)cccc3Cl)CCO2)n1 ZINC000106199893 495429074 /nfs/dbraw/zinc/42/90/74/495429074.db2.gz TVBUZGNJNHQDHD-OAHLLOKOSA-N 1 2 351.853 3.236 10 0 FGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](CCc3c(F)cccc3Cl)CCO2)n1 ZINC000106199893 495429075 /nfs/dbraw/zinc/42/90/75/495429075.db2.gz TVBUZGNJNHQDHD-OAHLLOKOSA-N 1 2 351.853 3.236 10 0 FGAELO CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cc(C)cn4)C3)n2)cc1 ZINC000106221380 495436114 /nfs/dbraw/zinc/43/61/14/495436114.db2.gz GKQIRHWZNAEAJF-QGZVFWFLSA-N 1 2 367.453 3.477 10 0 FGAELO CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4cc(C)cn4)C3)n2)cc1 ZINC000106221380 495436120 /nfs/dbraw/zinc/43/61/20/495436120.db2.gz GKQIRHWZNAEAJF-QGZVFWFLSA-N 1 2 367.453 3.477 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)c1 ZINC000106222846 495437588 /nfs/dbraw/zinc/43/75/88/495437588.db2.gz WLUWHIXZMQIRDZ-OAHLLOKOSA-N 1 2 369.437 3.025 10 0 FGAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(S(=O)(=O)C(F)F)cc3)C2)c1 ZINC000106222846 495437593 /nfs/dbraw/zinc/43/75/93/495437593.db2.gz WLUWHIXZMQIRDZ-OAHLLOKOSA-N 1 2 369.437 3.025 10 0 FGAELO CCN(Cc1ccccc1)C(=O)[C@@H](C)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000106387347 495450721 /nfs/dbraw/zinc/45/07/21/495450721.db2.gz YBWXOWUAWLFEFJ-QGZVFWFLSA-N 1 2 368.525 3.339 10 0 FGAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCCOc3ccccc32)C1 ZINC000138279843 495458803 /nfs/dbraw/zinc/45/88/03/495458803.db2.gz NARNKVYAJRIIMM-FUHWJXTLSA-N 1 2 368.481 3.298 10 0 FGAELO CC(C)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000130878263 495459680 /nfs/dbraw/zinc/45/96/80/495459680.db2.gz KRWIEQMYHHSTJT-JQFCIGGWSA-N 1 2 353.894 3.055 10 0 FGAELO CC(C)[C@H](C)NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000130878263 495459681 /nfs/dbraw/zinc/45/96/81/495459681.db2.gz KRWIEQMYHHSTJT-JQFCIGGWSA-N 1 2 353.894 3.055 10 0 FGAELO CC(C)n1nnnc1C[NH2+][C@H](C)c1cccc(OCc2ccccn2)c1 ZINC000120818742 495464762 /nfs/dbraw/zinc/46/47/62/495464762.db2.gz QUTVSVVFHJQDRO-OAHLLOKOSA-N 1 2 352.442 3.079 10 0 FGAELO CCn1cc[nH+]c1CSc1nc2sc3c(c2c(=O)n1C)CCCC3 ZINC000106586829 495474746 /nfs/dbraw/zinc/47/47/46/495474746.db2.gz BSBFENNFBYTLQS-UHFFFAOYSA-N 1 2 360.508 3.383 10 0 FGAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCOC2CCCCCC2)C1 ZINC000141292131 495505158 /nfs/dbraw/zinc/50/51/58/495505158.db2.gz RVSBRUVORKABEK-KRWDZBQOSA-N 1 2 362.518 3.124 10 0 FGAELO C[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173453583 495536631 /nfs/dbraw/zinc/53/66/31/495536631.db2.gz DPGAWCKAXCAFPY-OAHLLOKOSA-N 1 2 350.422 3.481 10 0 FGAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCCC[C@H]1c1nccs1 ZINC000176221595 495551572 /nfs/dbraw/zinc/55/15/72/495551572.db2.gz GZGDLNNENSPYQD-INIZCTEOSA-N 1 2 371.510 3.444 10 0 FGAELO C[C@H](c1ccsc1)[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000185468867 495589481 /nfs/dbraw/zinc/58/94/81/495589481.db2.gz LFKCPMHAGAEHBZ-XLIONFOSSA-N 1 2 360.523 3.004 10 0 FGAELO C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1cccc2ccccc21 ZINC000173622665 495619999 /nfs/dbraw/zinc/61/99/99/495619999.db2.gz OMFOJTXNEWBDPM-LSDHHAIUSA-N 1 2 363.465 3.445 10 0 FGAELO CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000173655410 495636117 /nfs/dbraw/zinc/63/61/17/495636117.db2.gz NQPYNMULIZPDGA-HNNXBMFYSA-N 1 2 362.433 3.251 10 0 FGAELO CCOCC[N@@H+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000176418455 495644798 /nfs/dbraw/zinc/64/47/98/495644798.db2.gz ABBFHYCUWOHSGK-INIZCTEOSA-N 1 2 358.438 3.255 10 0 FGAELO CCOCC[N@H+]1CCN(C(=O)c2ccc(Oc3ccccc3)o2)C[C@@H]1C ZINC000176418455 495644803 /nfs/dbraw/zinc/64/48/03/495644803.db2.gz ABBFHYCUWOHSGK-INIZCTEOSA-N 1 2 358.438 3.255 10 0 FGAELO O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159087723 495654921 /nfs/dbraw/zinc/65/49/21/495654921.db2.gz KYPOLIZPTIUEGF-CABCVRRESA-N 1 2 370.419 3.030 10 0 FGAELO O=C(Nc1ccccc1N1CCCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173792660 495695273 /nfs/dbraw/zinc/69/52/73/495695273.db2.gz QWYVRTBRFVDCRZ-SFHVURJKSA-N 1 2 372.513 3.005 10 0 FGAELO CCCc1ccc([C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C(C)C)cc1 ZINC000173790953 495695694 /nfs/dbraw/zinc/69/56/94/495695694.db2.gz IYWDLXPRYRYJRW-RTWAWAEBSA-N 1 2 373.541 3.452 10 0 FGAELO Cc1ccc([C@H](CNC(=O)CCc2ccsc2)[NH+]2CCOCC2)s1 ZINC000176562257 495699142 /nfs/dbraw/zinc/69/91/42/495699142.db2.gz STENZHRGKHMTDW-INIZCTEOSA-N 1 2 364.536 3.240 10 0 FGAELO Cc1ccc([C@H](CNC(=O)c2cc(F)ccc2C)[NH+]2CCOCC2)s1 ZINC000176562475 495699427 /nfs/dbraw/zinc/69/94/27/495699427.db2.gz VMDKAJBLUVBTQT-KRWDZBQOSA-N 1 2 362.470 3.307 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)CCc2ccccc2C)[NH+]2CCOCC2)s1 ZINC000176564382 495701121 /nfs/dbraw/zinc/70/11/21/495701121.db2.gz ITYJILKJGKGIJN-LJQANCHMSA-N 1 2 372.534 3.487 10 0 FGAELO Cc1ccc(CC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)s1 ZINC000176567306 495701879 /nfs/dbraw/zinc/70/18/79/495701879.db2.gz CQDXRVQOGGGCSZ-INIZCTEOSA-N 1 2 364.536 3.159 10 0 FGAELO CCc1ccc(CC(=O)NC[C@@H](c2ccc(C)s2)[NH+]2CCOCC2)cc1 ZINC000176576975 495705608 /nfs/dbraw/zinc/70/56/08/495705608.db2.gz NVWHIVBSWWWRFX-IBGZPJMESA-N 1 2 372.534 3.351 10 0 FGAELO Cc1c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)sc2cccc(F)c12 ZINC000173817036 495705599 /nfs/dbraw/zinc/70/55/99/495705599.db2.gz WJAAHXSUMIHAKM-IUODEOHRSA-N 1 2 362.470 3.142 10 0 FGAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc1 ZINC000176578497 495706872 /nfs/dbraw/zinc/70/68/72/495706872.db2.gz VIVOAVHXWKPHRM-SJLPKXTDSA-N 1 2 358.507 3.177 10 0 FGAELO Cc1ccc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000176578497 495706879 /nfs/dbraw/zinc/70/68/79/495706879.db2.gz VIVOAVHXWKPHRM-SJLPKXTDSA-N 1 2 358.507 3.177 10 0 FGAELO C[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)C1 ZINC000176580550 495707681 /nfs/dbraw/zinc/70/76/81/495707681.db2.gz SBWQHJFASYZBIJ-NCOADZHNSA-N 1 2 350.528 3.452 10 0 FGAELO C[C@@H]1CCC[C@H](C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)C1 ZINC000176580550 495707688 /nfs/dbraw/zinc/70/76/88/495707688.db2.gz SBWQHJFASYZBIJ-NCOADZHNSA-N 1 2 350.528 3.452 10 0 FGAELO Cc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1Cl ZINC000182802975 495708443 /nfs/dbraw/zinc/70/84/43/495708443.db2.gz GTJVANAQAASFQA-UHFFFAOYSA-N 1 2 374.872 3.029 10 0 FGAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1csc(-c2ccccc2F)n1 ZINC000171063905 495708685 /nfs/dbraw/zinc/70/86/85/495708685.db2.gz GHMFSUKXVXQCPJ-UHFFFAOYSA-N 1 2 365.455 3.281 10 0 FGAELO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000173836840 495713947 /nfs/dbraw/zinc/71/39/47/495713947.db2.gz MOGYCGOABAOELS-IBGZPJMESA-N 1 2 367.474 3.403 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc(F)c2F)c2cccs2)CCO1 ZINC000176601987 495715644 /nfs/dbraw/zinc/71/56/44/495715644.db2.gz BMDODZLVGMHHRW-DOMZBBRYSA-N 1 2 366.433 3.218 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cccc(F)c2F)c2cccs2)CCO1 ZINC000176601987 495715646 /nfs/dbraw/zinc/71/56/46/495715646.db2.gz BMDODZLVGMHHRW-DOMZBBRYSA-N 1 2 366.433 3.218 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)C/C=C/c3cccc(F)c3)CC2)s1 ZINC000176604384 495717045 /nfs/dbraw/zinc/71/70/45/495717045.db2.gz TUIQDUOJEPMHFN-HWKANZROSA-N 1 2 359.470 3.338 10 0 FGAELO C[C@@H]1CN(C(=O)c2ccccc2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173869648 495727067 /nfs/dbraw/zinc/72/70/67/495727067.db2.gz FHBHDZSARQZKPC-XMSQKQJNSA-N 1 2 364.489 3.070 10 0 FGAELO CC(C)c1nc2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2s1 ZINC000173895298 495736208 /nfs/dbraw/zinc/73/62/08/495736208.db2.gz JTWLXBNLISGHTB-HNNXBMFYSA-N 1 2 374.510 3.358 10 0 FGAELO O=C(Nc1ccc2nc(C3CC3)sc2c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173898616 495738086 /nfs/dbraw/zinc/73/80/86/495738086.db2.gz CLMVUDGOUTVGAK-HNNXBMFYSA-N 1 2 372.494 3.112 10 0 FGAELO COc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1F ZINC000179802236 495738488 /nfs/dbraw/zinc/73/84/88/495738488.db2.gz ZQBFSJWPTAFWLN-FZMZJTMJSA-N 1 2 374.420 3.440 10 0 FGAELO C[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1cc2ccccc2s1 ZINC000173908842 495743265 /nfs/dbraw/zinc/74/32/65/495743265.db2.gz JRWOFRGLNIYDHZ-ZBFHGGJFSA-N 1 2 359.495 3.078 10 0 FGAELO C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000173931253 495752037 /nfs/dbraw/zinc/75/20/37/495752037.db2.gz IXCXWYQKTTUWHJ-KBXCAEBGSA-N 1 2 360.417 3.176 10 0 FGAELO Cc1cc(C)nc(SCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000173933156 495753238 /nfs/dbraw/zinc/75/32/38/495753238.db2.gz PXOAJTCYCUVBDS-OAHLLOKOSA-N 1 2 367.478 3.249 10 0 FGAELO C[C@@H](NS(=O)(=O)Cc1cccc(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173964599 495766907 /nfs/dbraw/zinc/76/69/07/495766907.db2.gz JFDWMPKRRQLCMA-CQSZACIVSA-N 1 2 359.426 3.192 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000176885506 495826375 /nfs/dbraw/zinc/82/63/75/495826375.db2.gz CLYWRKIIGHMNEI-RKNYENMMSA-N 1 2 367.902 3.244 10 0 FGAELO COc1ccc(NC(=O)C[S@](=O)Cc2[nH+]ccn2C(C)C)cc1Cl ZINC000176889103 495827902 /nfs/dbraw/zinc/82/79/02/495827902.db2.gz ZIKAHGLQJJLXMM-XMMPIXPASA-N 1 2 369.874 3.013 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000176892269 495830597 /nfs/dbraw/zinc/83/05/97/495830597.db2.gz UFCHKYUOQUVMOV-APXPCNQMSA-N 1 2 355.410 3.018 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)Nc1ccccc1C(F)(F)F ZINC000176895017 495831822 /nfs/dbraw/zinc/83/18/22/495831822.db2.gz NRIJRZKVXWOEEC-RUZDIDTESA-N 1 2 373.400 3.370 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000176897197 495832746 /nfs/dbraw/zinc/83/27/46/495832746.db2.gz HFMXLQPEMWIELS-KTTFQHEFSA-N 1 2 365.474 3.118 10 0 FGAELO COc1ccc([C@H](C)CN2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000180084007 495850443 /nfs/dbraw/zinc/85/04/43/495850443.db2.gz DCKRMRXUZMJUKS-GCJKJVERSA-N 1 2 354.494 3.150 10 0 FGAELO CCc1nc(C2([NH2+]C[C@H](O)COc3ccc(C)cc3C)CCCC2)no1 ZINC000174234413 495874723 /nfs/dbraw/zinc/87/47/23/495874723.db2.gz LBMUJHJSEQRFQZ-INIZCTEOSA-N 1 2 359.470 3.048 10 0 FGAELO c1cnn(C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4)c3)CCO2)c1 ZINC000171511222 495905554 /nfs/dbraw/zinc/90/55/54/495905554.db2.gz WQXROVGDFVGGDP-QFIPXVFZSA-N 1 2 363.461 3.363 10 0 FGAELO c1cnn(C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccc4)c3)CCO2)c1 ZINC000171511222 495905562 /nfs/dbraw/zinc/90/55/62/495905562.db2.gz WQXROVGDFVGGDP-QFIPXVFZSA-N 1 2 363.461 3.363 10 0 FGAELO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C ZINC000174350766 495923112 /nfs/dbraw/zinc/92/31/12/495923112.db2.gz HGVCFKVFSFNPTD-UONOGXRCSA-N 1 2 362.470 3.081 10 0 FGAELO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H]1C ZINC000174350766 495923115 /nfs/dbraw/zinc/92/31/15/495923115.db2.gz HGVCFKVFSFNPTD-UONOGXRCSA-N 1 2 362.470 3.081 10 0 FGAELO CCc1c(C(=O)C[NH+]2CCC(c3cnn(CC)c3)CC2)[nH]c(C)c1C(C)=O ZINC000171639331 495958918 /nfs/dbraw/zinc/95/89/18/495958918.db2.gz ZROHKCHQNXATHY-UHFFFAOYSA-N 1 2 370.497 3.367 10 0 FGAELO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CCC[C@H]3c3ccco3)cs2)c1C ZINC000177187963 495967521 /nfs/dbraw/zinc/96/75/21/495967521.db2.gz CRXZYNLQBIQBCV-HNNXBMFYSA-N 1 2 370.478 3.451 10 0 FGAELO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CCC[C@H]3c3ccco3)cs2)c1C ZINC000177187963 495967524 /nfs/dbraw/zinc/96/75/24/495967524.db2.gz CRXZYNLQBIQBCV-HNNXBMFYSA-N 1 2 370.478 3.451 10 0 FGAELO COc1ccc2nc(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)sc2c1 ZINC000180365878 495967507 /nfs/dbraw/zinc/96/75/07/495967507.db2.gz KMSSRUOWULEQCJ-GFCCVEGCSA-N 1 2 357.439 3.198 10 0 FGAELO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1nc2ccccc2n1C)c1ccccc1 ZINC000177193726 495969372 /nfs/dbraw/zinc/96/93/72/495969372.db2.gz KWSBGORGSPEPDO-HZPDHXFCSA-N 1 2 350.466 3.271 10 0 FGAELO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1nc2ccccc2n1C)c1ccccc1 ZINC000177193726 495969377 /nfs/dbraw/zinc/96/93/77/495969377.db2.gz KWSBGORGSPEPDO-HZPDHXFCSA-N 1 2 350.466 3.271 10 0 FGAELO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)C12CCOCC2 ZINC000186378245 495973904 /nfs/dbraw/zinc/97/39/04/495973904.db2.gz KERVWYUXILDPPW-CGTJXYLNSA-N 1 2 371.481 3.285 10 0 FGAELO CCO[C@@H]1C[C@@H]([NH2+]c2ccc(N3CCO[C@H](C)C3)cc2)C12CCOCC2 ZINC000186490194 496017851 /nfs/dbraw/zinc/01/78/51/496017851.db2.gz RSPBLZUNFSTBMZ-NSISKUIASA-N 1 2 360.498 3.298 10 0 FGAELO COc1ccc(-c2noc([C@H](C)[NH+]3CCC(c4ccn[nH]4)CC3)n2)cc1 ZINC000152011377 496021380 /nfs/dbraw/zinc/02/13/80/496021380.db2.gz WZANKWDLHHEYAJ-ZDUSSCGKSA-N 1 2 353.426 3.409 10 0 FGAELO O=C(NCc1ccc(F)cc1C(F)(F)F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177383225 496040534 /nfs/dbraw/zinc/04/05/34/496040534.db2.gz RYWLHFSUSLESJM-CQSZACIVSA-N 1 2 370.350 3.415 10 0 FGAELO CCc1nnc(C[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000177385228 496041719 /nfs/dbraw/zinc/04/17/19/496041719.db2.gz GATPCAYDMXHJEE-LBPRGKRZSA-N 1 2 355.269 3.338 10 0 FGAELO CCc1nnc(C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000177385228 496041726 /nfs/dbraw/zinc/04/17/26/496041726.db2.gz GATPCAYDMXHJEE-LBPRGKRZSA-N 1 2 355.269 3.338 10 0 FGAELO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000171859294 496065704 /nfs/dbraw/zinc/06/57/04/496065704.db2.gz AYRYEJHEKKXSTK-HUUCEWRRSA-N 1 2 361.486 3.275 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)COc3c(C)cc(C)cc3C)CC2)s1 ZINC000171863140 496068427 /nfs/dbraw/zinc/06/84/27/496068427.db2.gz GBZJNFSFJXKRKW-UHFFFAOYSA-N 1 2 373.522 3.100 10 0 FGAELO O=C(NCCCCOCc1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177467993 496073198 /nfs/dbraw/zinc/07/31/98/496073198.db2.gz HTBLDOIOVFCHRQ-LJQANCHMSA-N 1 2 356.470 3.054 10 0 FGAELO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152307309 496112157 /nfs/dbraw/zinc/11/21/57/496112157.db2.gz FNVKTAQEWJNLEZ-QAPCUYQASA-N 1 2 350.422 3.270 10 0 FGAELO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152307309 496112161 /nfs/dbraw/zinc/11/21/61/496112161.db2.gz FNVKTAQEWJNLEZ-QAPCUYQASA-N 1 2 350.422 3.270 10 0 FGAELO C[C@@H]([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(F)cc1Cl ZINC000183778601 496113266 /nfs/dbraw/zinc/11/32/66/496113266.db2.gz CCMVRRZAIKKFHV-SECBINFHSA-N 1 2 362.879 3.331 10 0 FGAELO CN1C(=O)CC[C@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000171991710 496121215 /nfs/dbraw/zinc/12/12/15/496121215.db2.gz XNLUGRPUDDQWMN-FPOVZHCZSA-N 1 2 374.444 3.421 10 0 FGAELO CN1C(=O)CC[C@@H](C(=O)Nc2cccc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000171991707 496121289 /nfs/dbraw/zinc/12/12/89/496121289.db2.gz XNLUGRPUDDQWMN-CTNGQTDRSA-N 1 2 374.444 3.421 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCc3ccccc3F)CC2)cs1 ZINC000172098848 496163382 /nfs/dbraw/zinc/16/33/82/496163382.db2.gz CXXVBJKMSWKNKY-UHFFFAOYSA-N 1 2 362.474 3.008 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCc3ccccc3F)CC2)cs1 ZINC000172098848 496163384 /nfs/dbraw/zinc/16/33/84/496163384.db2.gz CXXVBJKMSWKNKY-UHFFFAOYSA-N 1 2 362.474 3.008 10 0 FGAELO CCO[C@@H]1C[C@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C12CCCC2 ZINC000156167135 496175591 /nfs/dbraw/zinc/17/55/91/496175591.db2.gz HGFVTSGATMHHSM-DLBZAZTESA-N 1 2 354.454 3.077 10 0 FGAELO CC[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174991771 496197039 /nfs/dbraw/zinc/19/70/39/496197039.db2.gz JGMCGSRUISGYOC-DLBZAZTESA-N 1 2 365.543 3.404 10 0 FGAELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1NC(=O)CC(C)C ZINC000177797196 496200662 /nfs/dbraw/zinc/20/06/62/496200662.db2.gz ZMXUJSQDZAWRRW-GOSISDBHSA-N 1 2 368.481 3.481 10 0 FGAELO Cc1cc(N2CC[NH+]([C@H](C)c3cccc(Cl)c3F)CC2)n2ncnc2n1 ZINC000186961403 496229397 /nfs/dbraw/zinc/22/93/97/496229397.db2.gz KRLVDIMQMXQPLH-CYBMUJFWSA-N 1 2 374.851 3.108 10 0 FGAELO O=C(CCCc1ccc2ccccc2c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000181083062 496263715 /nfs/dbraw/zinc/26/37/15/496263715.db2.gz INCUNPDJLCGVQL-OAQYLSRUSA-N 1 2 352.478 3.096 10 0 FGAELO CCOc1cc(C)nc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)n1 ZINC000181099475 496270236 /nfs/dbraw/zinc/27/02/36/496270236.db2.gz CNPOSQBZQGVOMB-OAHLLOKOSA-N 1 2 367.453 3.208 10 0 FGAELO C[C@H](CNC(=O)N1CCc2c1cccc2-c1ccccc1)[NH+]1CCOCC1 ZINC000184288279 496321231 /nfs/dbraw/zinc/32/12/31/496321231.db2.gz AUBYKDXMSGZXMH-QGZVFWFLSA-N 1 2 365.477 3.146 10 0 FGAELO CC[C@H](NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)c1ccncc1 ZINC000175293009 496326110 /nfs/dbraw/zinc/32/61/10/496326110.db2.gz WITHXJUIZFBCCU-SFHVURJKSA-N 1 2 373.526 3.215 10 0 FGAELO CC[C@H](NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1)c1ccncc1 ZINC000175293009 496326114 /nfs/dbraw/zinc/32/61/14/496326114.db2.gz WITHXJUIZFBCCU-SFHVURJKSA-N 1 2 373.526 3.215 10 0 FGAELO Cc1ccc(-c2ccc(C(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)c(F)c2)cc1 ZINC000172768706 496422544 /nfs/dbraw/zinc/42/25/44/496422544.db2.gz QHPHMPNOWIQJKR-LJQANCHMSA-N 1 2 368.452 3.348 10 0 FGAELO COC(=O)c1cc2cc(C[N@@H+]3CCO[C@@H](c4nccs4)C3)ccc2o1 ZINC000172772099 496424854 /nfs/dbraw/zinc/42/48/54/496424854.db2.gz OGMWPAFHUXVFBE-MRXNPFEDSA-N 1 2 358.419 3.249 10 0 FGAELO COC(=O)c1cc2cc(C[N@H+]3CCO[C@@H](c4nccs4)C3)ccc2o1 ZINC000172772099 496424856 /nfs/dbraw/zinc/42/48/56/496424856.db2.gz OGMWPAFHUXVFBE-MRXNPFEDSA-N 1 2 358.419 3.249 10 0 FGAELO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178366372 496430399 /nfs/dbraw/zinc/43/03/99/496430399.db2.gz AKHXSXDTACIYLO-CVEARBPZSA-N 1 2 372.469 3.034 10 0 FGAELO C[C@H](CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)Cn1cc[nH+]c1 ZINC000153416303 496447551 /nfs/dbraw/zinc/44/75/51/496447551.db2.gz RPKIXEUAZAGZDI-VXGBXAGGSA-N 1 2 356.253 3.410 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc(Cc4ccccc4C)no3)C2)no1 ZINC000175622539 496468598 /nfs/dbraw/zinc/46/85/98/496468598.db2.gz QCPRVJYZCWHTAO-MRXNPFEDSA-N 1 2 367.453 3.115 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4C)no3)C2)no1 ZINC000175622539 496468600 /nfs/dbraw/zinc/46/86/00/496468600.db2.gz QCPRVJYZCWHTAO-MRXNPFEDSA-N 1 2 367.453 3.115 10 0 FGAELO CCn1cc[nH+]c1C[S@](=O)Cc1coc(-c2c(F)cccc2F)n1 ZINC000153487893 496472267 /nfs/dbraw/zinc/47/22/67/496472267.db2.gz TZFVPHCUDWXXMY-DEOSSOPVSA-N 1 2 351.378 3.285 10 0 FGAELO CC(C)C1(CNC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000175634872 496475620 /nfs/dbraw/zinc/47/56/20/496475620.db2.gz XNRIJMOZTAYPIZ-CVEARBPZSA-N 1 2 365.543 3.245 10 0 FGAELO CC(C)C1(CNC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000175634872 496475621 /nfs/dbraw/zinc/47/56/21/496475621.db2.gz XNRIJMOZTAYPIZ-CVEARBPZSA-N 1 2 365.543 3.245 10 0 FGAELO Cc1ccc2c(c1)[C@@H](NC(=O)N1CC[NH+](Cc3cccnc3)CC1)[C@@H](C)C2 ZINC000181899332 496592104 /nfs/dbraw/zinc/59/21/04/496592104.db2.gz XGMTYUWQTIDQOC-UWJYYQICSA-N 1 2 364.493 3.151 10 0 FGAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000164809160 496633583 /nfs/dbraw/zinc/63/35/83/496633583.db2.gz WLVOTDDXKQSULK-KSSFIOAISA-N 1 2 374.510 3.180 10 0 FGAELO COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173313073 496638636 /nfs/dbraw/zinc/63/86/36/496638636.db2.gz LVSVUFAZWNMGMN-HNAYVOBHSA-N 1 2 358.486 3.066 10 0 FGAELO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1C ZINC000173313073 496638643 /nfs/dbraw/zinc/63/86/43/496638643.db2.gz LVSVUFAZWNMGMN-HNAYVOBHSA-N 1 2 358.486 3.066 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC000182237402 496717004 /nfs/dbraw/zinc/71/70/04/496717004.db2.gz BKBWXDRFSVKTQI-UHFFFAOYSA-N 1 2 368.312 3.057 10 0 FGAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191526103 496797849 /nfs/dbraw/zinc/79/78/49/496797849.db2.gz SJKYKLZGASKUTL-GJZGRUSLSA-N 1 2 360.483 3.095 10 0 FGAELO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195064173 496810926 /nfs/dbraw/zinc/81/09/26/496810926.db2.gz NAVARYUMLHOWCW-GOSISDBHSA-N 1 2 366.436 3.367 10 0 FGAELO O=C(c1ccc(F)cc1)c1ccccc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195064173 496810931 /nfs/dbraw/zinc/81/09/31/496810931.db2.gz NAVARYUMLHOWCW-GOSISDBHSA-N 1 2 366.436 3.367 10 0 FGAELO CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195505050 496943171 /nfs/dbraw/zinc/94/31/71/496943171.db2.gz DYUIBBBXOKARHT-HOTGVXAUSA-N 1 2 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ZINC000173921326 495748028 /nfs/dbraw/zinc/74/80/28/495748028.db2.gz VMBTWUNIRBCBMH-WMLDXEAASA-N 1 2 367.478 3.175 10 0 FGAELO C[C@@H](C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1)c1ccccc1 ZINC000183001923 495794216 /nfs/dbraw/zinc/79/42/16/495794216.db2.gz GURBVCOXYJJFPS-LJQANCHMSA-N 1 2 374.488 3.320 10 0 FGAELO CC[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179966650 495803881 /nfs/dbraw/zinc/80/38/81/495803881.db2.gz KLYGSYCTQDADAO-JZXOWHBKSA-N 1 2 371.884 3.075 10 0 FGAELO CC[N@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179966650 495803887 /nfs/dbraw/zinc/80/38/87/495803887.db2.gz KLYGSYCTQDADAO-JZXOWHBKSA-N 1 2 371.884 3.075 10 0 FGAELO Cc1ccccc1CN(C)C(=O)[C@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176880773 495824404 /nfs/dbraw/zinc/82/44/04/495824404.db2.gz GTWHSNOMNGEOGQ-IVCQMTBJSA-N 1 2 361.511 3.068 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000176888725 495828011 /nfs/dbraw/zinc/82/80/11/495828011.db2.gz STTGBZGMURJBGQ-PWECECGKSA-N 1 2 358.467 3.448 10 0 FGAELO CCOc1ccc(NC(=O)[C@@H](C)[S@@](=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000176894013 495830434 /nfs/dbraw/zinc/83/04/34/495830434.db2.gz FCUVOVBIGNIFIT-PWECECGKSA-N 1 2 363.483 3.139 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000176892351 495830558 /nfs/dbraw/zinc/83/05/58/495830558.db2.gz GQIWVAHRCPRRCE-BUBHHJDNSA-N 1 2 355.410 3.018 10 0 FGAELO CCC1CCC(NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000176968346 495862283 /nfs/dbraw/zinc/86/22/83/495862283.db2.gz FOWKLXDGVBKKRD-UHFFFAOYSA-N 1 2 354.454 3.111 10 0 FGAELO CCc1nc(C2([NH2+]C[C@H](O)COc3c(C)ccc(C)c3C)CCCC2)no1 ZINC000174238783 495877450 /nfs/dbraw/zinc/87/74/50/495877450.db2.gz NHNGCCUYEWFIKC-KRWDZBQOSA-N 1 2 373.497 3.356 10 0 FGAELO CCSCC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000174270634 495888959 /nfs/dbraw/zinc/88/89/59/495888959.db2.gz NJEJBECLHKHOIP-CQSZACIVSA-N 1 2 370.588 3.201 10 0 FGAELO CCSCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000174270634 495888965 /nfs/dbraw/zinc/88/89/65/495888965.db2.gz NJEJBECLHKHOIP-CQSZACIVSA-N 1 2 370.588 3.201 10 0 FGAELO CCO[C@@H](CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)C(C)C ZINC000174328105 495912418 /nfs/dbraw/zinc/91/24/18/495912418.db2.gz GXLSDZSVFJFFEG-KRWDZBQOSA-N 1 2 350.507 3.062 10 0 FGAELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644565 495964733 /nfs/dbraw/zinc/96/47/33/495964733.db2.gz ISELZYACDTWXKQ-LSDHHAIUSA-N 1 2 358.873 3.496 10 0 FGAELO C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171644565 495964734 /nfs/dbraw/zinc/96/47/34/495964734.db2.gz ISELZYACDTWXKQ-LSDHHAIUSA-N 1 2 358.873 3.496 10 0 FGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000171674430 495983672 /nfs/dbraw/zinc/98/36/72/495983672.db2.gz OASRAPKEDIGPPI-UHFFFAOYSA-N 1 2 363.414 3.373 10 0 FGAELO Cc1ccc(Oc2ccccc2NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171705584 495997681 /nfs/dbraw/zinc/99/76/81/495997681.db2.gz LEKBQDXQHNCUCJ-QGZVFWFLSA-N 1 2 355.438 3.239 10 0 FGAELO Cc1ccc(Oc2ccccc2NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171705584 495997688 /nfs/dbraw/zinc/99/76/88/495997688.db2.gz LEKBQDXQHNCUCJ-QGZVFWFLSA-N 1 2 355.438 3.239 10 0 FGAELO CC[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Oc1ccccc1F ZINC000177592891 496124678 /nfs/dbraw/zinc/12/46/78/496124678.db2.gz AAFNGYGEOAWJLY-HZPDHXFCSA-N 1 2 360.433 3.054 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc(Oc4ccccc4)c3)CCO2)[nH]1 ZINC000177690083 496160599 /nfs/dbraw/zinc/16/05/99/496160599.db2.gz TTWVMGDWHGGRCX-LJQANCHMSA-N 1 2 350.422 3.479 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc(Oc4ccccc4)c3)CCO2)[nH]1 ZINC000177690083 496160604 /nfs/dbraw/zinc/16/06/04/496160604.db2.gz TTWVMGDWHGGRCX-LJQANCHMSA-N 1 2 350.422 3.479 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NCCc3cc(C)cc(C)c3)CC2)s1 ZINC000156175170 496177997 /nfs/dbraw/zinc/17/79/97/496177997.db2.gz QNIHWECVOOGUFI-UHFFFAOYSA-N 1 2 372.538 3.138 10 0 FGAELO Cc1ncc(C[NH+]2CCN(Cc3nc(C(F)(F)F)cs3)CC2)s1 ZINC000152576869 496193620 /nfs/dbraw/zinc/19/36/20/496193620.db2.gz XSCPWTUWYVVUOO-UHFFFAOYSA-N 1 2 362.446 3.245 10 0 FGAELO CCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OC ZINC000177801666 496202533 /nfs/dbraw/zinc/20/25/33/496202533.db2.gz QMEGVZUJFWILQC-CQSZACIVSA-N 1 2 363.845 3.249 10 0 FGAELO Cc1cc(C)n2c(C[NH2+]C3(c4noc(C(C)C)n4)CCCC3)cnc2n1 ZINC000156346622 496220589 /nfs/dbraw/zinc/22/05/89/496220589.db2.gz BQGAFZRZWFSVAW-UHFFFAOYSA-N 1 2 354.458 3.412 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)Nc2ccccc2F)c2cccs2)CCO1 ZINC000175053313 496228066 /nfs/dbraw/zinc/22/80/66/496228066.db2.gz OSCXTRVTYYCPSK-BBRMVZONSA-N 1 2 363.458 3.471 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)Nc2ccccc2F)c2cccs2)CCO1 ZINC000175053313 496228069 /nfs/dbraw/zinc/22/80/69/496228069.db2.gz OSCXTRVTYYCPSK-BBRMVZONSA-N 1 2 363.458 3.471 10 0 FGAELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCc1ccccc1 ZINC000178427520 496453009 /nfs/dbraw/zinc/45/30/09/496453009.db2.gz XRQLHGVEQMRNKY-GOSISDBHSA-N 1 2 373.522 3.006 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000157344321 496458355 /nfs/dbraw/zinc/45/83/55/496458355.db2.gz STHIAJUYFVUPPP-IBGZPJMESA-N 1 2 370.472 3.236 10 0 FGAELO Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2C)[NH+]2CCOCC2)s1 ZINC000153765890 496572549 /nfs/dbraw/zinc/57/25/49/496572549.db2.gz WPWKMHDSMXCZCS-KRWDZBQOSA-N 1 2 362.470 3.307 10 0 FGAELO CCc1nc(C2([NH2+]Cc3ccc(-n4cncn4)c(C)c3)CCCC2)no1 ZINC000173360363 496657723 /nfs/dbraw/zinc/65/77/23/496657723.db2.gz ZZANASODXSYOAQ-UHFFFAOYSA-N 1 2 352.442 3.080 10 0 FGAELO O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccc(F)cc1Cl ZINC000188116691 496689393 /nfs/dbraw/zinc/68/93/93/496689393.db2.gz BBLAYQCXTORGMS-JSGCOSHPSA-N 1 2 368.861 3.187 10 0 FGAELO O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)Nc1ccc(F)cc1Cl ZINC000188116691 496689398 /nfs/dbraw/zinc/68/93/98/496689398.db2.gz BBLAYQCXTORGMS-JSGCOSHPSA-N 1 2 368.861 3.187 10 0 FGAELO COCc1cccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247055509 496765123 /nfs/dbraw/zinc/76/51/23/496765123.db2.gz UEJQWNOYFSGJLW-MAUKXSAKSA-N 1 2 374.506 3.086 10 0 FGAELO COCc1cccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247055509 496765127 /nfs/dbraw/zinc/76/51/27/496765127.db2.gz UEJQWNOYFSGJLW-MAUKXSAKSA-N 1 2 374.506 3.086 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H]1CCSc2ccc(OC)cc21 ZINC000191526118 496798056 /nfs/dbraw/zinc/79/80/56/496798056.db2.gz SJKYKLZGASKUTL-LSDHHAIUSA-N 1 2 360.483 3.095 10 0 FGAELO Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H](C)C2)[NH+]2CCOCC2)s1 ZINC000247171452 496798177 /nfs/dbraw/zinc/79/81/77/496798177.db2.gz ZICUTOQINAFQES-OIISXLGYSA-N 1 2 350.528 3.372 10 0 FGAELO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195077756 496815517 /nfs/dbraw/zinc/81/55/17/496815517.db2.gz VZGXXIBPNULZAH-QGZVFWFLSA-N 1 2 373.497 3.492 10 0 FGAELO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195077756 496815520 /nfs/dbraw/zinc/81/55/20/496815520.db2.gz VZGXXIBPNULZAH-QGZVFWFLSA-N 1 2 373.497 3.492 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)cn1 ZINC000191704015 496860915 /nfs/dbraw/zinc/86/09/15/496860915.db2.gz IDGXIJVSUVMMQZ-SFHVURJKSA-N 1 2 355.417 3.006 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)CCO2)cn1 ZINC000191704015 496860921 /nfs/dbraw/zinc/86/09/21/496860921.db2.gz IDGXIJVSUVMMQZ-SFHVURJKSA-N 1 2 355.417 3.006 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cs1 ZINC000247563633 496889840 /nfs/dbraw/zinc/88/98/40/496889840.db2.gz VFEWCTZWPRAOFV-IIDMSEBBSA-N 1 2 364.559 3.494 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)cs1 ZINC000247563633 496889845 /nfs/dbraw/zinc/88/98/45/496889845.db2.gz VFEWCTZWPRAOFV-IIDMSEBBSA-N 1 2 364.559 3.494 10 0 FGAELO O[C@H](C[NH+]1CCC(c2ccn[nH]2)CC1)c1cccc(Br)c1 ZINC000195507634 496945169 /nfs/dbraw/zinc/94/51/69/496945169.db2.gz SSHHEMWUCMKIPW-MRXNPFEDSA-N 1 2 350.260 3.085 10 0 FGAELO CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510695 496946429 /nfs/dbraw/zinc/94/64/29/496946429.db2.gz PFMFEHBBAQQBJM-SFHVURJKSA-N 1 2 368.481 3.423 10 0 FGAELO CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000195510695 496946434 /nfs/dbraw/zinc/94/64/34/496946434.db2.gz PFMFEHBBAQQBJM-SFHVURJKSA-N 1 2 368.481 3.423 10 0 FGAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)Nc2ccccc2F)c2cccs2)CCO1 ZINC000248356754 496982881 /nfs/dbraw/zinc/98/28/81/496982881.db2.gz OSCXTRVTYYCPSK-XJKSGUPXSA-N 1 2 363.458 3.471 10 0 FGAELO C[C@H]1C[N@H+]([C@H](CNC(=O)Nc2ccccc2F)c2cccs2)CCO1 ZINC000248356754 496982884 /nfs/dbraw/zinc/98/28/84/496982884.db2.gz OSCXTRVTYYCPSK-XJKSGUPXSA-N 1 2 363.458 3.471 10 0 FGAELO COc1ncccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248722789 497087583 /nfs/dbraw/zinc/08/75/83/497087583.db2.gz GMLBHQDHSMRRCM-HOTGVXAUSA-N 1 2 352.356 3.417 10 0 FGAELO COc1ncccc1C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000248722789 497087586 /nfs/dbraw/zinc/08/75/86/497087586.db2.gz GMLBHQDHSMRRCM-HOTGVXAUSA-N 1 2 352.356 3.417 10 0 FGAELO 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CC(=O)N(c1nc(C[NH2+]CCn2cc(C)cn2)cs1)c1ccc(F)cc1 ZINC000113338692 495297436 /nfs/dbraw/zinc/29/74/36/495297436.db2.gz OOLISPIGVGHECY-UHFFFAOYSA-N 1 2 373.457 3.262 10 0 FGAELO Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCO[C@H](C)C2)cc[nH+]1 ZINC000120186774 495323517 /nfs/dbraw/zinc/32/35/17/495323517.db2.gz SZBWRGNLEAKYEN-ZBFHGGJFSA-N 1 2 360.483 3.035 10 0 FGAELO Cc1noc([C@H](C)N2CC[NH+](Cc3cc(-c4ccc(C)cc4)no3)CC2)n1 ZINC000106132392 495418594 /nfs/dbraw/zinc/41/85/94/495418594.db2.gz NGCAQNZRNNMXPT-HNNXBMFYSA-N 1 2 367.453 3.220 10 0 FGAELO CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106210566 495431659 /nfs/dbraw/zinc/43/16/59/495431659.db2.gz JTUUGOVFTCJXJM-GOSISDBHSA-N 1 2 354.454 3.015 10 0 FGAELO CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000106210566 495431660 /nfs/dbraw/zinc/43/16/60/495431660.db2.gz JTUUGOVFTCJXJM-GOSISDBHSA-N 1 2 354.454 3.015 10 0 FGAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106211569 495433287 /nfs/dbraw/zinc/43/32/87/495433287.db2.gz GTXSCSHKFWJQDN-SFHVURJKSA-N 1 2 354.454 3.015 10 0 FGAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000106211569 495433289 /nfs/dbraw/zinc/43/32/89/495433289.db2.gz GTXSCSHKFWJQDN-SFHVURJKSA-N 1 2 354.454 3.015 10 0 FGAELO CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120728496 495445133 /nfs/dbraw/zinc/44/51/33/495445133.db2.gz RSNCJRRPOQLZED-YUMQZZPRSA-N 1 2 350.221 3.017 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCSc3ccccc31)C2 ZINC000106372178 495450328 /nfs/dbraw/zinc/45/03/28/495450328.db2.gz VZZWNNLFASSRFJ-UHFFFAOYSA-N 1 2 370.522 3.041 10 0 FGAELO CC(C)n1nnnc1C[NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1 ZINC000120818602 495464369 /nfs/dbraw/zinc/46/43/69/495464369.db2.gz QUTVSVVFHJQDRO-HNNXBMFYSA-N 1 2 352.442 3.079 10 0 FGAELO O=C(CCCc1csc2ccccc12)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120885449 495477773 /nfs/dbraw/zinc/47/77/73/495477773.db2.gz GAPMFXRPZSAVBL-KRWDZBQOSA-N 1 2 358.507 3.157 10 0 FGAELO C[C@@H](NC(=O)N(CCCO)CC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452895 495536500 /nfs/dbraw/zinc/53/65/00/495536500.db2.gz DUBWCPDBQSCBCL-MRXNPFEDSA-N 1 2 358.486 3.373 10 0 FGAELO Cc1nc2ccc(NC(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc2o1 ZINC000158629909 495555637 /nfs/dbraw/zinc/55/56/37/495555637.db2.gz LIBROJFFGZORST-AWEZNQCLSA-N 1 2 353.426 3.356 10 0 FGAELO O=C(Nc1ccc(CCC(F)(F)F)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000176290569 495581622 /nfs/dbraw/zinc/58/16/22/495581622.db2.gz YJIFLHRPSUSSID-INIZCTEOSA-N 1 2 371.403 3.120 10 0 FGAELO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176346359 495612414 /nfs/dbraw/zinc/61/24/14/495612414.db2.gz WBSYQDUBLATTFW-GFCCVEGCSA-N 1 2 354.332 3.320 10 0 FGAELO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1nnc2n1CCCC2 ZINC000173621646 495618607 /nfs/dbraw/zinc/61/86/07/495618607.db2.gz PLDZDGXBAJSVRD-UKRRQHHQSA-N 1 2 373.888 3.114 10 0 FGAELO C[C@H](NC(=O)NC[C@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176380413 495627957 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CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000120721370 495443167 /nfs/dbraw/zinc/44/31/67/495443167.db2.gz BINJUZZLBKBKPW-RKDXNWHRSA-N 1 2 364.248 3.406 10 0 FGAELO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130829798 495452837 /nfs/dbraw/zinc/45/28/37/495452837.db2.gz OVYSRPSSTIMZAO-ZWKOTPCHSA-N 1 2 372.415 3.118 10 0 FGAELO C[C@H](NC(=O)N1CCC[C@@H](c2cc[nH]n2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452033 495536211 /nfs/dbraw/zinc/53/62/11/495536211.db2.gz WGAOGRQRFKWABX-DOTOQJQBSA-N 1 2 364.453 3.246 10 0 FGAELO Cc1csc([C@@H]2CCCN(C(=O)NCc3cn4c(cccc4C)[nH+]3)C2)n1 ZINC000173494474 495557144 /nfs/dbraw/zinc/55/71/44/495557144.db2.gz OOZVFQFWJCVXPI-OAHLLOKOSA-N 1 2 369.494 3.497 10 0 FGAELO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000176343163 495610175 /nfs/dbraw/zinc/61/01/75/495610175.db2.gz OWLVNTXQJQDJFI-QGZVFWFLSA-N 1 2 364.453 3.382 10 0 FGAELO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1nnc2n1CCCC2 ZINC000173621658 495618551 /nfs/dbraw/zinc/61/85/51/495618551.db2.gz PLDZDGXBAJSVRD-ZFWWWQNUSA-N 1 2 373.888 3.114 10 0 FGAELO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1F)c1nnc2n1CCCC2 ZINC000173623229 495619621 /nfs/dbraw/zinc/61/96/21/495619621.db2.gz RTCBFLYSWUXLNS-MNOVXSKESA-N 1 2 365.840 3.085 10 0 FGAELO C[C@@H](NC(=O)NC[C@@H](CO)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000176380394 495628177 /nfs/dbraw/zinc/62/81/77/495628177.db2.gz GEFOJGAFFPSLKT-APWZRJJASA-N 1 2 364.449 3.009 10 0 FGAELO C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173652239 495634278 /nfs/dbraw/zinc/63/42/78/495634278.db2.gz YATGIUBGLOEQIW-ZDUSSCGKSA-N 1 2 368.824 3.342 10 0 FGAELO C[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000173765834 495682968 /nfs/dbraw/zinc/68/29/68/495682968.db2.gz YAFIODXDCQZXSG-JSGCOSHPSA-N 1 2 372.296 3.171 10 0 FGAELO CCc1ccc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000176528439 495684554 /nfs/dbraw/zinc/68/45/54/495684554.db2.gz WNQSWKUVTBSHDW-GOSISDBHSA-N 1 2 358.507 3.456 10 0 FGAELO CCc1ccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000176528419 495684924 /nfs/dbraw/zinc/68/49/24/495684924.db2.gz WNQSWKUVTBSHDW-SFHVURJKSA-N 1 2 358.507 3.456 10 0 FGAELO Cc1cc(C(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)ccc1F ZINC000176545769 495692447 /nfs/dbraw/zinc/69/24/47/495692447.db2.gz WZEMILBWBGYEIR-QGZVFWFLSA-N 1 2 362.470 3.341 10 0 FGAELO Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc1 ZINC000176578475 495706506 /nfs/dbraw/zinc/70/65/06/495706506.db2.gz VIVOAVHXWKPHRM-AEFFLSMTSA-N 1 2 358.507 3.177 10 0 FGAELO Cc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000176578475 495706513 /nfs/dbraw/zinc/70/65/13/495706513.db2.gz VIVOAVHXWKPHRM-AEFFLSMTSA-N 1 2 358.507 3.177 10 0 FGAELO COCc1ccccc1C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000176579243 495707109 /nfs/dbraw/zinc/70/71/09/495707109.db2.gz MZEURILJBVGRJW-YJBOKZPZSA-N 1 2 374.506 3.086 10 0 FGAELO COCc1ccccc1C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000176579243 495707116 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C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173940324 495755753 /nfs/dbraw/zinc/75/57/53/495755753.db2.gz JRQDWSWSBLCFCK-ZDUSSCGKSA-N 1 2 368.824 3.342 10 0 FGAELO CC(C)CC(=O)N[C@H](C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000173945798 495758046 /nfs/dbraw/zinc/75/80/46/495758046.db2.gz VJGFDNZSQCDSOM-JXFKEZNVSA-N 1 2 370.497 3.236 10 0 FGAELO C[C@@H](NC(=O)CSC[C@H]1CCCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173946827 495758061 /nfs/dbraw/zinc/75/80/61/495758061.db2.gz APJMXFVERVDVAZ-CRAIPNDOSA-N 1 2 359.495 3.352 10 0 FGAELO Cc1nn(CC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C)c1Cl ZINC000173945751 495758350 /nfs/dbraw/zinc/75/83/50/495758350.db2.gz YKRVUEJOJKHVEK-GFCCVEGCSA-N 1 2 357.845 3.216 10 0 FGAELO C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173950000 495760095 /nfs/dbraw/zinc/76/00/95/495760095.db2.gz NBUCRUKWGAULNJ-AWEZNQCLSA-N 1 2 360.417 3.248 10 0 FGAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccccc1Br ZINC000151194085 495767891 /nfs/dbraw/zinc/76/78/91/495767891.db2.gz MZZKTLAGEJJULU-FZMZJTMJSA-N 1 2 365.275 3.373 10 0 FGAELO CC(C)CNC(=O)c1cccc(C[S@@](=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000176837837 495805007 /nfs/dbraw/zinc/80/50/07/495805007.db2.gz HPMITEUONRMHRR-RUZDIDTESA-N 1 2 361.511 3.299 10 0 FGAELO O=C(N[C@H]1CCCc2ccccc21)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171289145 495805265 /nfs/dbraw/zinc/80/52/65/495805265.db2.gz ZSYCXYNRBRSYLL-IBGZPJMESA-N 1 2 370.522 3.438 10 0 FGAELO O=C(N[C@H]1CCCc2ccccc21)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171289145 495805268 /nfs/dbraw/zinc/80/52/68/495805268.db2.gz ZSYCXYNRBRSYLL-IBGZPJMESA-N 1 2 370.522 3.438 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000176883003 495825536 /nfs/dbraw/zinc/82/55/36/495825536.db2.gz GWEQCHGYWMRKEI-SGANQWHYSA-N 1 2 359.495 3.081 10 0 FGAELO COc1ccc(NC(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)cc1Cl ZINC000176889119 495827775 /nfs/dbraw/zinc/82/77/75/495827775.db2.gz ZIKAHGLQJJLXMM-DEOSSOPVSA-N 1 2 369.874 3.013 10 0 FGAELO COc1ccc(C)cc1NC(=O)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176891832 495830793 /nfs/dbraw/zinc/83/07/93/495830793.db2.gz KVUBALRDSZATEL-DLUDVSRJSA-N 1 2 363.483 3.057 10 0 FGAELO CCc1cccc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000176953421 495855335 /nfs/dbraw/zinc/85/53/35/495855335.db2.gz VBQHAQWJDGDBDB-HNNXBMFYSA-N 1 2 355.463 3.474 10 0 FGAELO Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)s2)o1 ZINC000183208555 495880635 /nfs/dbraw/zinc/88/06/35/495880635.db2.gz IMSQWMZALKPIFF-HIFRSBDPSA-N 1 2 360.479 3.109 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2Br)OCO3)cn1 ZINC000171504919 495902667 /nfs/dbraw/zinc/90/26/67/495902667.db2.gz CTERJPVRLCFRTA-AWEZNQCLSA-N 1 2 364.243 3.248 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2Br)OCO3)cn1 ZINC000171504919 495902672 /nfs/dbraw/zinc/90/26/72/495902672.db2.gz CTERJPVRLCFRTA-AWEZNQCLSA-N 1 2 364.243 3.248 10 0 FGAELO Fc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](n4cncn4)C3)cs2)cc1 ZINC000171526589 495914763 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FGAELO COc1ccc2ccccc2c1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177384155 496040331 /nfs/dbraw/zinc/04/03/31/496040331.db2.gz UGDALPVZQKQIQP-QGZVFWFLSA-N 1 2 364.449 3.419 10 0 FGAELO CCc1cc(N[C@H]2CCc3nnc(C(C)C)n3C2)nc(-c2ccncc2)[nH+]1 ZINC000171945508 496103858 /nfs/dbraw/zinc/10/38/58/496103858.db2.gz ZTYBFLWVWSHZGM-INIZCTEOSA-N 1 2 363.469 3.243 10 0 FGAELO NC(=O)c1csc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000180805396 496153966 /nfs/dbraw/zinc/15/39/66/496153966.db2.gz AEYZJFODMOFPDD-UKRRQHHQSA-N 1 2 370.396 3.174 10 0 FGAELO NC(=O)c1csc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000180805396 496153971 /nfs/dbraw/zinc/15/39/71/496153971.db2.gz AEYZJFODMOFPDD-UKRRQHHQSA-N 1 2 370.396 3.174 10 0 FGAELO CC(C)CCOc1ccc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000174979267 496191334 /nfs/dbraw/zinc/19/13/34/496191334.db2.gz AEWKJRYJDZGNKA-SFHVURJKSA-N 1 2 361.486 3.050 10 0 FGAELO CC[C@@H]1CCCCN1C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174991756 496196582 /nfs/dbraw/zinc/19/65/82/496196582.db2.gz JGMCGSRUISGYOC-IAGOWNOFSA-N 1 2 365.543 3.404 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)NCC(C)(C)C(C)C)CC2)cs1 ZINC000186889426 496197330 /nfs/dbraw/zinc/19/73/30/496197330.db2.gz NJUKCXAYRGKFKX-UHFFFAOYSA-N 1 2 352.548 3.351 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NCC(C)(C)C(C)C)CC2)cs1 ZINC000186889426 496197332 /nfs/dbraw/zinc/19/73/32/496197332.db2.gz NJUKCXAYRGKFKX-UHFFFAOYSA-N 1 2 352.548 3.351 10 0 FGAELO O=C(c1cc(Br)ccc1F)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177810930 496206167 /nfs/dbraw/zinc/20/61/67/496206167.db2.gz XOGLZDNSPMGADZ-GFCCVEGCSA-N 1 2 352.207 3.090 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCCC[C@@H]2C)c2cccs2)CCO1 ZINC000175035105 496220044 /nfs/dbraw/zinc/22/00/44/496220044.db2.gz AVFGBUWCCUSUJV-XHSDSOJGSA-N 1 2 351.516 3.094 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCCC[C@@H]2C)c2cccs2)CCO1 ZINC000175035105 496220050 /nfs/dbraw/zinc/22/00/50/496220050.db2.gz AVFGBUWCCUSUJV-XHSDSOJGSA-N 1 2 351.516 3.094 10 0 FGAELO COc1cccc(OC)c1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000175053206 496228098 /nfs/dbraw/zinc/22/80/98/496228098.db2.gz QACYJWWBIJMDFJ-AWEZNQCLSA-N 1 2 351.406 3.381 10 0 FGAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187007808 496249759 /nfs/dbraw/zinc/24/97/59/496249759.db2.gz YHMPPXBWKIADBI-QAPCUYQASA-N 1 2 371.930 3.261 10 0 FGAELO CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187007808 496249764 /nfs/dbraw/zinc/24/97/64/496249764.db2.gz YHMPPXBWKIADBI-QAPCUYQASA-N 1 2 371.930 3.261 10 0 FGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc2ccccc2[nH]1 ZINC000177965247 496268288 /nfs/dbraw/zinc/26/82/88/496268288.db2.gz FRSLOWPJUDJMDN-SFHVURJKSA-N 1 2 369.490 3.375 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2cc3ccccn3c2)[NH+]2CCOCC2)s1 ZINC000177971104 496271524 /nfs/dbraw/zinc/27/15/24/496271524.db2.gz POFJLPWYCBKMBE-GOSISDBHSA-N 1 2 369.490 3.113 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cccc3[nH]ccc32)c2cccs2)CCO1 ZINC000177979633 496274930 /nfs/dbraw/zinc/27/49/30/496274930.db2.gz AIFHMIDGHUTEQJ-KSSFIOAISA-N 1 2 369.490 3.421 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cccc3[nH]ccc32)c2cccs2)CCO1 ZINC000177979633 496274936 /nfs/dbraw/zinc/27/49/36/496274936.db2.gz AIFHMIDGHUTEQJ-KSSFIOAISA-N 1 2 369.490 3.421 10 0 FGAELO CC[C@@]1(CO)CCCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000187352143 496406201 /nfs/dbraw/zinc/40/62/01/496406201.db2.gz BRTALWHRPZCGIV-OXQOHEQNSA-N 1 2 356.470 3.127 10 0 FGAELO C[C@@H](NC(=O)Cn1cnc(-c2ccccc2)n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000153435254 496454347 /nfs/dbraw/zinc/45/43/47/496454347.db2.gz ISQIAOMZCNZEGK-MRXNPFEDSA-N 1 2 372.432 3.008 10 0 FGAELO CCc1ccc(-c2ccc(C(=O)N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)o2)cc1 ZINC000173402736 496676576 /nfs/dbraw/zinc/67/65/76/496676576.db2.gz FCGXVJOJLUOLSY-LPHOPBHVSA-N 1 2 368.477 3.302 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)C(C)C)nc[nH+]1 ZINC000173433922 496691674 /nfs/dbraw/zinc/69/16/74/496691674.db2.gz YUWPRTYADTXETJ-XLIONFOSSA-N 1 2 367.497 3.043 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](c2ccccc2)C(C)C)[nH+]cn1 ZINC000173433922 496691678 /nfs/dbraw/zinc/69/16/78/496691678.db2.gz YUWPRTYADTXETJ-XLIONFOSSA-N 1 2 367.497 3.043 10 0 FGAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)C1 ZINC000246994630 496745512 /nfs/dbraw/zinc/74/55/12/496745512.db2.gz BDCVFSVOVLYSMT-LPHOPBHVSA-N 1 2 374.481 3.106 10 0 FGAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)C1 ZINC000246994630 496745520 /nfs/dbraw/zinc/74/55/20/496745520.db2.gz BDCVFSVOVLYSMT-LPHOPBHVSA-N 1 2 374.481 3.106 10 0 FGAELO CCC[N@H+](CC(F)F)C[C@@H](O)COc1cccc(Br)c1 ZINC000194885014 496747478 /nfs/dbraw/zinc/74/74/78/496747478.db2.gz JQCWCDQCFWBOJR-GFCCVEGCSA-N 1 2 352.219 3.166 10 0 FGAELO CCC[N@@H+](CC(F)F)C[C@@H](O)COc1cccc(Br)c1 ZINC000194885014 496747483 /nfs/dbraw/zinc/74/74/83/496747483.db2.gz JQCWCDQCFWBOJR-GFCCVEGCSA-N 1 2 352.219 3.166 10 0 FGAELO C[C@H]1C[N@@H+]([C@H](CNC(=O)NCc2ccsc2)c2cccs2)CCO1 ZINC000247028863 496756545 /nfs/dbraw/zinc/75/65/45/496756545.db2.gz SHATUMUGQZOHFH-DZGCQCFKSA-N 1 2 365.524 3.071 10 0 FGAELO C[C@H]1C[N@H+]([C@H](CNC(=O)NCc2ccsc2)c2cccs2)CCO1 ZINC000247028863 496756548 /nfs/dbraw/zinc/75/65/48/496756548.db2.gz SHATUMUGQZOHFH-DZGCQCFKSA-N 1 2 365.524 3.071 10 0 FGAELO Cc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](O)COCc2ccc(Cl)cc2)o1 ZINC000247208566 496805463 /nfs/dbraw/zinc/80/54/63/496805463.db2.gz UKDGZVTXLZHMCF-MSOLQXFVSA-N 1 2 365.857 3.192 10 0 FGAELO Cc1ccc([C@@H]2COCC[N@H+]2C[C@@H](O)COCc2ccc(Cl)cc2)o1 ZINC000247208566 496805465 /nfs/dbraw/zinc/80/54/65/496805465.db2.gz UKDGZVTXLZHMCF-MSOLQXFVSA-N 1 2 365.857 3.192 10 0 FGAELO CCO[C@@H](CNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1)c1ccccc1 ZINC000195182163 496844165 /nfs/dbraw/zinc/84/41/65/496844165.db2.gz UQGHIJGQMFXQAI-IBGZPJMESA-N 1 2 370.497 3.389 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cn1 ZINC000191700923 496859169 /nfs/dbraw/zinc/85/91/69/496859169.db2.gz BLZWHFBMKQACQU-IBGZPJMESA-N 1 2 365.437 3.059 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)CCO2)cn1 ZINC000191700923 496859172 /nfs/dbraw/zinc/85/91/72/496859172.db2.gz BLZWHFBMKQACQU-IBGZPJMESA-N 1 2 365.437 3.059 10 0 FGAELO CCn1cc([C@@H]2C[N@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)cn1 ZINC000191710834 496862572 /nfs/dbraw/zinc/86/25/72/496862572.db2.gz LUBYNJNNJNUEBU-NRFANRHFSA-N 1 2 365.481 3.279 10 0 FGAELO CCn1cc([C@@H]2C[N@@H+](Cc3c(C)nn(-c4ccccc4)c3C)CCO2)cn1 ZINC000191710834 496862575 /nfs/dbraw/zinc/86/25/75/496862575.db2.gz LUBYNJNNJNUEBU-NRFANRHFSA-N 1 2 365.481 3.279 10 0 FGAELO Cn1cc([C@H]2CCC[N@@H+]2[C@H]2CCCN(c3ccccc3Cl)C2=O)cn1 ZINC000247471110 496865843 /nfs/dbraw/zinc/86/58/43/496865843.db2.gz JGDPDVMKXBXEID-AEFFLSMTSA-N 1 2 358.873 3.406 10 0 FGAELO Cn1cc([C@H]2CCC[N@H+]2[C@H]2CCCN(c3ccccc3Cl)C2=O)cn1 ZINC000247471110 496865849 /nfs/dbraw/zinc/86/58/49/496865849.db2.gz JGDPDVMKXBXEID-AEFFLSMTSA-N 1 2 358.873 3.406 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C)CC2)cs1 ZINC000247539468 496883452 /nfs/dbraw/zinc/88/34/52/496883452.db2.gz QPFUSNCFJRYWOV-NVXWUHKLSA-N 1 2 364.559 3.495 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C)CC2)cs1 ZINC000247539468 496883456 /nfs/dbraw/zinc/88/34/56/496883456.db2.gz QPFUSNCFJRYWOV-NVXWUHKLSA-N 1 2 364.559 3.495 10 0 FGAELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3cccnc3Cl)C2)n1 ZINC000195331444 496892098 /nfs/dbraw/zinc/89/20/98/496892098.db2.gz LAKBEPMYUXVBAT-GFCCVEGCSA-N 1 2 350.875 3.318 10 0 FGAELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3cccnc3Cl)C2)n1 ZINC000195331444 496892110 /nfs/dbraw/zinc/89/21/10/496892110.db2.gz LAKBEPMYUXVBAT-GFCCVEGCSA-N 1 2 350.875 3.318 10 0 FGAELO O=C1[C@H]([N@@H+]2CC[C@@H](CNc3ccccn3)C2)CCN1c1ccccc1Cl ZINC000247737158 496910873 /nfs/dbraw/zinc/91/08/73/496910873.db2.gz VZUMKDVVGGKSKS-MAUKXSAKSA-N 1 2 370.884 3.274 10 0 FGAELO O=C1[C@H]([N@H+]2CC[C@@H](CNc3ccccn3)C2)CCN1c1ccccc1Cl ZINC000247737158 496910875 /nfs/dbraw/zinc/91/08/75/496910875.db2.gz VZUMKDVVGGKSKS-MAUKXSAKSA-N 1 2 370.884 3.274 10 0 FGAELO Cc1sc2[nH]c([C@H](C)[NH+]3CCC(c4ccnn4C)CC3)nc(=O)c2c1C ZINC000195503157 496942062 /nfs/dbraw/zinc/94/20/62/496942062.db2.gz XRLGWOWSJJVZJN-LBPRGKRZSA-N 1 2 371.510 3.276 10 0 FGAELO Cc1cccc2[nH+]c(CN3CCCC[C@H]3c3nnc4n3CCCC4)cn21 ZINC000195511740 496947425 /nfs/dbraw/zinc/94/74/25/496947425.db2.gz FDDILODQRZXUSX-KRWDZBQOSA-N 1 2 350.470 3.298 10 0 FGAELO COc1ccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c(C)c1 ZINC000224142376 497047597 /nfs/dbraw/zinc/04/75/97/497047597.db2.gz URQFVELSWPSCRB-UHFFFAOYSA-N 1 2 370.457 3.104 10 0 FGAELO Cc1cc(NC(=O)N2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc[nH+]1 ZINC000248632176 497065056 /nfs/dbraw/zinc/06/50/56/497065056.db2.gz PIBFIUTYCUFGCY-CWRNSKLLSA-N 1 2 360.458 3.157 10 0 FGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000248646682 497070658 /nfs/dbraw/zinc/07/06/58/497070658.db2.gz SFHWZLLLFKSRMH-NJDAHSKKSA-N 1 2 374.525 3.080 10 0 FGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCCO[C@@H]1c1ccc(C)cc1 ZINC000248646682 497070659 /nfs/dbraw/zinc/07/06/59/497070659.db2.gz SFHWZLLLFKSRMH-NJDAHSKKSA-N 1 2 374.525 3.080 10 0 FGAELO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3csc(Cl)c3)CC2)cn1 ZINC000189320475 497081517 /nfs/dbraw/zinc/08/15/17/497081517.db2.gz GHNYNSVHJDTKDS-UHFFFAOYSA-N 1 2 366.918 3.356 10 0 FGAELO CCCn1cc(C[N@H+]2CCCN(C(=O)c3csc(Cl)c3)CC2)cn1 ZINC000189320475 497081523 /nfs/dbraw/zinc/08/15/23/497081523.db2.gz GHNYNSVHJDTKDS-UHFFFAOYSA-N 1 2 366.918 3.356 10 0 FGAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000189342471 497088459 /nfs/dbraw/zinc/08/84/59/497088459.db2.gz TXUPRZAWCDGUHA-GXTWGEPZSA-N 1 2 371.359 3.238 10 0 FGAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000189342471 497088461 /nfs/dbraw/zinc/08/84/61/497088461.db2.gz TXUPRZAWCDGUHA-GXTWGEPZSA-N 1 2 371.359 3.238 10 0 FGAELO COC(=O)[C@@]1(C)CCC[N@@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000249541755 497218489 /nfs/dbraw/zinc/21/84/89/497218489.db2.gz FCOMANUXXFYYRY-QVKFZJNVSA-N 1 2 354.450 3.045 10 0 FGAELO COC(=O)[C@@]1(C)CCC[N@H+]1CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000249541755 497218493 /nfs/dbraw/zinc/21/84/93/497218493.db2.gz FCOMANUXXFYYRY-QVKFZJNVSA-N 1 2 354.450 3.045 10 0 FGAELO O[C@H](C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000249866038 497254208 /nfs/dbraw/zinc/25/42/08/497254208.db2.gz HYVLGAGJUGFJNK-JKSUJKDBSA-N 1 2 362.424 3.153 10 0 FGAELO O[C@H](C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)c1c(F)cccc1F ZINC000249866038 497254212 /nfs/dbraw/zinc/25/42/12/497254212.db2.gz HYVLGAGJUGFJNK-JKSUJKDBSA-N 1 2 362.424 3.153 10 0 FGAELO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000253275110 497324813 /nfs/dbraw/zinc/32/48/13/497324813.db2.gz HYASVPBTNQOWNU-JYJNAYRXSA-N 1 2 368.543 3.220 10 0 FGAELO CCc1noc([C@@H](C)N2CC[NH+](C/C=C\c3ccccc3OC)CC2)n1 ZINC000255598102 497371753 /nfs/dbraw/zinc/37/17/53/497371753.db2.gz MZLDTYLRGJFDME-DZFYGRHCSA-N 1 2 356.470 3.033 10 0 FGAELO COc1ncccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000193445049 497381159 /nfs/dbraw/zinc/38/11/59/497381159.db2.gz GMLBHQDHSMRRCM-HZPDHXFCSA-N 1 2 352.356 3.417 10 0 FGAELO COc1ncccc1C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000193445049 497381162 /nfs/dbraw/zinc/38/11/62/497381162.db2.gz GMLBHQDHSMRRCM-HZPDHXFCSA-N 1 2 352.356 3.417 10 0 FGAELO CCN(CC(=O)OC(C)(C)C)C1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000190354622 497447623 /nfs/dbraw/zinc/44/76/23/497447623.db2.gz UFCFOMQAMRIJNP-UHFFFAOYSA-N 1 2 353.532 3.080 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCc1ccc(F)c(F)c1)C2 ZINC000190379890 497456546 /nfs/dbraw/zinc/45/65/46/497456546.db2.gz ZFHAYKXHCDTTJK-UHFFFAOYSA-N 1 2 362.424 3.132 10 0 FGAELO CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1)C(=O)OC(C)(C)C ZINC000190607575 497543706 /nfs/dbraw/zinc/54/37/06/497543706.db2.gz HYASVPBTNQOWNU-PMPSAXMXSA-N 1 2 368.543 3.220 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)CC1 ZINC000245882087 497559354 /nfs/dbraw/zinc/55/93/54/497559354.db2.gz IBHYWNCXUXJCJJ-HSALFYBXSA-N 1 2 372.557 3.288 10 0 FGAELO CCn1cc([C@H]2C[N@H+](Cc3ccc4oc(C(=O)OC)cc4c3)CCO2)cn1 ZINC000190815041 497612230 /nfs/dbraw/zinc/61/22/30/497612230.db2.gz AZRMOHFRKZDMAF-LJQANCHMSA-N 1 2 369.421 3.009 10 0 FGAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc4oc(C(=O)OC)cc4c3)CCO2)cn1 ZINC000190815041 497612234 /nfs/dbraw/zinc/61/22/34/497612234.db2.gz AZRMOHFRKZDMAF-LJQANCHMSA-N 1 2 369.421 3.009 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H](C)CC3)CC2)s1 ZINC000190944716 497655198 /nfs/dbraw/zinc/65/51/98/497655198.db2.gz GQZMIYVWEGFWLH-HOCLYGCPSA-N 1 2 350.532 3.248 10 0 FGAELO O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000262963060 497667197 /nfs/dbraw/zinc/66/71/97/497667197.db2.gz KWDAZCCFZMVVIQ-CYBMUJFWSA-N 1 2 369.799 3.184 10 0 FGAELO CCn1c(C)nnc1CSc1[nH+]cnc2c1cnn2-c1ccc(F)cc1 ZINC000194687544 497739862 /nfs/dbraw/zinc/73/98/62/497739862.db2.gz LVKDMMSGMYINJJ-UHFFFAOYSA-N 1 2 369.429 3.167 10 0 FGAELO CC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246715425 497803471 /nfs/dbraw/zinc/80/34/71/497803471.db2.gz NTKNEMBNTANCTO-KXBFYZLASA-N 1 2 361.388 3.354 10 0 FGAELO CC(=O)c1ccccc1OCC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246715425 497803473 /nfs/dbraw/zinc/80/34/73/497803473.db2.gz NTKNEMBNTANCTO-KXBFYZLASA-N 1 2 361.388 3.354 10 0 FGAELO CCc1cc(N[C@H](C)C(=O)N2CCc3ccccc32)nc(-c2ccncc2)[nH+]1 ZINC000301201584 497996980 /nfs/dbraw/zinc/99/69/80/497996980.db2.gz NFAUQJHJXPRULW-OAHLLOKOSA-N 1 2 373.460 3.491 10 0 FGAELO CNS(=O)(=O)c1ccccc1CNc1cc(C)[nH+]c2c(F)cccc12 ZINC000301677866 498220061 /nfs/dbraw/zinc/22/00/61/498220061.db2.gz QURDLMHXUYRCNM-UHFFFAOYSA-N 1 2 359.426 3.203 10 0 FGAELO COC(=O)Cn1ncc2c1nc[nH+]c2NCc1c(C)c(C)c(C)c(C)c1C ZINC000301810372 498275146 /nfs/dbraw/zinc/27/51/46/498275146.db2.gz ZEPJTBVDPNQAQO-UHFFFAOYSA-N 1 2 367.453 3.154 10 0 FGAELO Nc1cc([C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3N2)cc[nH+]1 ZINC000616680678 520087773 /nfs/dbraw/zinc/08/77/73/520087773.db2.gz OFBVRPORFDFPOF-KRWDZBQOSA-N 1 2 366.446 3.026 10 0 FGAELO 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10 0 FGAELO Cc1cc(NC(=O)C2CCC(C(=O)Nc3cc[nH+]c(C)c3)CC2)ccn1 ZINC000123842392 495195588 /nfs/dbraw/zinc/19/55/88/495195588.db2.gz WCVWPWIVLLEKIU-UHFFFAOYSA-N 1 2 352.438 3.477 10 0 FGAELO CC(C)Oc1cccc(CC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000112666623 495219371 /nfs/dbraw/zinc/21/93/71/495219371.db2.gz QCNWGUTVEPURDL-UHFFFAOYSA-N 1 2 355.482 3.458 10 0 FGAELO C[C@H](NC[C@H]1C[N@H+](C)CCO1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000124113901 495236471 /nfs/dbraw/zinc/23/64/71/495236471.db2.gz AMFCOLPQSRCMTA-JQWIXIFHSA-N 1 2 371.268 3.025 10 0 FGAELO C[C@H](NC[C@H]1C[N@@H+](C)CCO1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000124113901 495236475 /nfs/dbraw/zinc/23/64/75/495236475.db2.gz AMFCOLPQSRCMTA-JQWIXIFHSA-N 1 2 371.268 3.025 10 0 FGAELO COc1cccc(OC)c1CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000124712733 495331972 /nfs/dbraw/zinc/33/19/72/495331972.db2.gz XGWMGFSOYZTQBT-HNNXBMFYSA-N 1 2 365.433 3.309 10 0 FGAELO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000130156065 495349408 /nfs/dbraw/zinc/34/94/08/495349408.db2.gz SUDJVIAEHWRZLP-KZNAEPCWSA-N 1 2 362.539 3.454 10 0 FGAELO Oc1ccc(Br)c(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000120320126 495351427 /nfs/dbraw/zinc/35/14/27/495351427.db2.gz IUUDQAYQDQAIRE-UHFFFAOYSA-N 1 2 363.259 3.021 10 0 FGAELO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000125233824 495411294 /nfs/dbraw/zinc/41/12/94/495411294.db2.gz XNRODSLYQAPRNN-WCQYABFASA-N 1 2 352.385 3.212 10 0 FGAELO Clc1ccccc1-c1nnc(C[NH+]2CCC(Nc3cccnn3)CC2)o1 ZINC000106082091 495411705 /nfs/dbraw/zinc/41/17/05/495411705.db2.gz NHJCEPULZDLDHO-UHFFFAOYSA-N 1 2 370.844 3.257 10 0 FGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000120598862 495414179 /nfs/dbraw/zinc/41/41/79/495414179.db2.gz RWXCGYAKQNHUSX-IAGOWNOFSA-N 1 2 374.435 3.258 10 0 FGAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000120598862 495414182 /nfs/dbraw/zinc/41/41/82/495414182.db2.gz RWXCGYAKQNHUSX-IAGOWNOFSA-N 1 2 374.435 3.258 10 0 FGAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106208990 495431638 /nfs/dbraw/zinc/43/16/38/495431638.db2.gz OUDQSUWILSMUOA-KXBFYZLASA-N 1 2 368.481 3.404 10 0 FGAELO CC(=O)c1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106208990 495431639 /nfs/dbraw/zinc/43/16/39/495431639.db2.gz OUDQSUWILSMUOA-KXBFYZLASA-N 1 2 368.481 3.404 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)N(C)Cc1cccc(F)c1)C2 ZINC000106372164 495450019 /nfs/dbraw/zinc/45/00/19/495450019.db2.gz ADYAEHFWJMEADG-HNNXBMFYSA-N 1 2 372.488 3.088 10 0 FGAELO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000106371770 495450824 /nfs/dbraw/zinc/45/08/24/495450824.db2.gz WMRMOSOXVDXKND-CQSZACIVSA-N 1 2 368.481 3.131 10 0 FGAELO CCOc1cc(/C=C/C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)ccc1O ZINC000182433915 495562900 /nfs/dbraw/zinc/56/29/00/495562900.db2.gz XPYPYLSVXCWIDX-VQHVLOKHSA-N 1 2 369.465 3.246 10 0 FGAELO CCOCCC1(CNC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000158700309 495570595 /nfs/dbraw/zinc/57/05/95/495570595.db2.gz RWGOHRJQMLDQFH-MRXNPFEDSA-N 1 2 356.470 3.439 10 0 FGAELO CC(C)c1nc(C2([NH2+]C[C@@H](O)COc3ccc(F)cc3)CCCC2)no1 ZINC000173702285 495654367 /nfs/dbraw/zinc/65/43/67/495654367.db2.gz SQIHSQGGTFWVTR-OAHLLOKOSA-N 1 2 363.433 3.131 10 0 FGAELO Cc1ccc(C(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc1F ZINC000176518389 495679134 /nfs/dbraw/zinc/67/91/34/495679134.db2.gz XQXRCCPYPCELLD-KRWDZBQOSA-N 1 2 362.470 3.341 10 0 FGAELO O=C([C@H]1C[C@H]1C1CCCCC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000159223436 495687001 /nfs/dbraw/zinc/68/70/01/495687001.db2.gz JJXJSEFZKWTJTP-PMACEKPBSA-N 1 2 366.509 3.195 10 0 FGAELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CCc1cccs1 ZINC000176532654 495687174 /nfs/dbraw/zinc/68/71/74/495687174.db2.gz JCBFGXAYZHODPW-INIZCTEOSA-N 1 2 364.536 3.274 10 0 FGAELO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C[C@@H]1[NH+]1CCOCC1 ZINC000173810384 495702134 /nfs/dbraw/zinc/70/21/34/495702134.db2.gz XYRSOOKRBSGLHU-DHWLSRIRSA-N 1 2 364.489 3.122 10 0 FGAELO Cc1ccc([C@H](CNC(=O)Cc2ccccc2C)[NH+]2CCOCC2)s1 ZINC000176569829 495702979 /nfs/dbraw/zinc/70/29/79/495702979.db2.gz YSQWPPXXZBAGJX-SFHVURJKSA-N 1 2 358.507 3.097 10 0 FGAELO Fc1cc2cccnc2c(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)c1 ZINC000185764306 495716079 /nfs/dbraw/zinc/71/60/79/495716079.db2.gz KXTSSKANOOPAMU-UHFFFAOYSA-N 1 2 363.396 3.361 10 0 FGAELO Cc1cc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)ccc1F ZINC000176606461 495717803 /nfs/dbraw/zinc/71/78/03/495717803.db2.gz OCFQZRVUKQVNOM-PBHICJAKSA-N 1 2 362.470 3.387 10 0 FGAELO Cc1cc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)ccc1F ZINC000176606461 495717806 /nfs/dbraw/zinc/71/78/06/495717806.db2.gz OCFQZRVUKQVNOM-PBHICJAKSA-N 1 2 362.470 3.387 10 0 FGAELO CC1(C)C[C@@H](NC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc2O1 ZINC000151036770 495718027 /nfs/dbraw/zinc/71/80/27/495718027.db2.gz UWLUHWFKWUVCSL-QGZVFWFLSA-N 1 2 366.465 3.216 10 0 FGAELO CCn1cc[nH+]c1C[S@](=O)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000179769227 495728202 /nfs/dbraw/zinc/72/82/02/495728202.db2.gz STAQOURBSRPVGP-RUZDIDTESA-N 1 2 354.479 3.026 10 0 FGAELO C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173911901 495744632 /nfs/dbraw/zinc/74/46/32/495744632.db2.gz WRZJAFRBMDLXIY-WZQKQDCOSA-N 1 2 367.474 3.242 10 0 FGAELO CC(C)c1cccc(C(C)C)c1NC(=O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173925004 495749373 /nfs/dbraw/zinc/74/93/73/495749373.db2.gz OVAQPECTCOHCPC-SFHVURJKSA-N 1 2 373.541 3.278 10 0 FGAELO C[C@@H](NC(=O)C(=O)c1ccc2c(c1)CCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000173936403 495753790 /nfs/dbraw/zinc/75/37/90/495753790.db2.gz YLZRFUYNGLPYKO-OAHLLOKOSA-N 1 2 359.429 3.421 10 0 FGAELO CC(=O)c1cccc(OCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000173939030 495755461 /nfs/dbraw/zinc/75/54/61/495755461.db2.gz SNARWUOQVKCIOS-OAHLLOKOSA-N 1 2 363.417 3.331 10 0 FGAELO C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173950369 495760127 /nfs/dbraw/zinc/76/01/27/495760127.db2.gz RICGMIFRVCLUJZ-AUSJPIAWSA-N 1 2 363.417 3.278 10 0 FGAELO Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173968079 495768759 /nfs/dbraw/zinc/76/87/59/495768759.db2.gz QZGUXKKOBDUEJB-CQSZACIVSA-N 1 2 359.426 3.359 10 0 FGAELO CC(C)CO[C@@H](C)c1noc(C[S@](=O)Cc2[nH+]ccn2C(C)C)n1 ZINC000176846293 495809993 /nfs/dbraw/zinc/80/99/93/495809993.db2.gz BTPWLXGWYAKWLK-RKNYENMMSA-N 1 2 354.476 3.030 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000176879429 495823327 /nfs/dbraw/zinc/82/33/27/495823327.db2.gz FZDSPGXVXMNMJN-RKPUJPDHSA-N 1 2 361.511 3.021 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)NCc2cccs2)c2cccs2)CCO1 ZINC000176927547 495844921 /nfs/dbraw/zinc/84/49/21/495844921.db2.gz VEWNYAAVUGXEHC-HIFRSBDPSA-N 1 2 365.524 3.071 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)NCc2cccs2)c2cccs2)CCO1 ZINC000176927547 495844928 /nfs/dbraw/zinc/84/49/28/495844928.db2.gz VEWNYAAVUGXEHC-HIFRSBDPSA-N 1 2 365.524 3.071 10 0 FGAELO C[C@@H]([NH2+]Cc1noc(Cc2ccc(Br)cc2)n1)[C@@H]1CCCO1 ZINC000183154878 495857766 /nfs/dbraw/zinc/85/77/66/495857766.db2.gz HKVLNDYHTLMCAY-RISCZKNCSA-N 1 2 366.259 3.080 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)s3)C2)no1 ZINC000155177231 495863160 /nfs/dbraw/zinc/86/31/60/495863160.db2.gz BYINEFSPWCEGHA-AWEZNQCLSA-N 1 2 355.467 3.351 10 0 FGAELO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)s3)C2)no1 ZINC000155177231 495863165 /nfs/dbraw/zinc/86/31/65/495863165.db2.gz BYINEFSPWCEGHA-AWEZNQCLSA-N 1 2 355.467 3.351 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](Cc3ccc(SC(F)(F)F)cc3)CCO2)[nH]1 ZINC000180115220 495864583 /nfs/dbraw/zinc/86/45/83/495864583.db2.gz BSAHPCRTNMCXJT-CYBMUJFWSA-N 1 2 358.389 3.299 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](Cc3ccc(SC(F)(F)F)cc3)CCO2)[nH]1 ZINC000180115220 495864587 /nfs/dbraw/zinc/86/45/87/495864587.db2.gz BSAHPCRTNMCXJT-CYBMUJFWSA-N 1 2 358.389 3.299 10 0 FGAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CCO2)c1 ZINC000180117536 495865085 /nfs/dbraw/zinc/86/50/85/495865085.db2.gz PTSYLBUEENANFV-IBGZPJMESA-N 1 2 371.481 3.048 10 0 FGAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc(C(=O)OC(C)(C)C)c3)CCO2)c1 ZINC000180117536 495865088 /nfs/dbraw/zinc/86/50/88/495865088.db2.gz PTSYLBUEENANFV-IBGZPJMESA-N 1 2 371.481 3.048 10 0 FGAELO C[C@H](NC(=O)NC[C@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174215702 495868616 /nfs/dbraw/zinc/86/86/16/495868616.db2.gz RKRLJLYLUZWCSY-KXBFYZLASA-N 1 2 356.470 3.174 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)cc2C)nc[nH+]1 ZINC000174259652 495886189 /nfs/dbraw/zinc/88/61/89/495886189.db2.gz VMLHOACLCLKRCG-CQSZACIVSA-N 1 2 374.876 3.271 10 0 FGAELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(Cl)cc2C)[nH+]cn1 ZINC000174259652 495886193 /nfs/dbraw/zinc/88/61/93/495886193.db2.gz VMLHOACLCLKRCG-CQSZACIVSA-N 1 2 374.876 3.271 10 0 FGAELO C[C@@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000180236800 495919480 /nfs/dbraw/zinc/91/94/80/495919480.db2.gz ROIPHGYPSDKCOA-DOMZBBRYSA-N 1 2 360.832 3.094 10 0 FGAELO C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000180236813 495919571 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Cc1ccc([C@@H](CNC(=O)N2CCCC2(C)C)[NH+]2CCOCC2)s1 ZINC000174984765 496194141 /nfs/dbraw/zinc/19/41/41/496194141.db2.gz LMCAGUZCFQAUIU-OAHLLOKOSA-N 1 2 351.516 3.014 10 0 FGAELO O=C(c1csc(Cc2ccccc2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177803935 496203710 /nfs/dbraw/zinc/20/37/10/496203710.db2.gz GJEUKEPJWVRXCU-MRXNPFEDSA-N 1 2 352.463 3.235 10 0 FGAELO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000152850271 496274339 /nfs/dbraw/zinc/27/43/39/496274339.db2.gz LCOJECPRPKVZJT-LBPRGKRZSA-N 1 2 359.421 3.282 10 0 FGAELO Cc1nc(C)n(C[C@H]2CCC[N@@H+](Cc3nc(C(F)(F)F)cs3)C2)n1 ZINC000152850271 496274346 /nfs/dbraw/zinc/27/43/46/496274346.db2.gz LCOJECPRPKVZJT-LBPRGKRZSA-N 1 2 359.421 3.282 10 0 FGAELO Cn1cc([C@H]2CCC[N@@H+]2[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000156564905 496279692 /nfs/dbraw/zinc/27/96/92/496279692.db2.gz IFSGELHMZSVCID-IAGOWNOFSA-N 1 2 362.836 3.155 10 0 FGAELO Cn1cc([C@H]2CCC[N@H+]2[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)cn1 ZINC000156564905 496279698 /nfs/dbraw/zinc/27/96/98/496279698.db2.gz IFSGELHMZSVCID-IAGOWNOFSA-N 1 2 362.836 3.155 10 0 FGAELO Fc1ccc(-n2cc(C[NH+]3CCC(c4cc[nH]n4)CC3)nn2)cc1Cl ZINC000181209234 496312714 /nfs/dbraw/zinc/31/27/14/496312714.db2.gz HHKORJDMLHJYHR-UHFFFAOYSA-N 1 2 360.824 3.163 10 0 FGAELO C[C@H](CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC000172746887 496413722 /nfs/dbraw/zinc/41/37/22/496413722.db2.gz LRKCXZJXXHPAAO-PBHICJAKSA-N 1 2 370.415 3.132 10 0 FGAELO O=C(N1CC[C@H]([NH+]2CCOCC2)C1)C1(c2cccc(Cl)c2)CCCC1 ZINC000172767292 496422175 /nfs/dbraw/zinc/42/21/75/496422175.db2.gz QGPKXWWCYTVIIS-SFHVURJKSA-N 1 2 362.901 3.085 10 0 FGAELO Cc1ccc(CNC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc1 ZINC000178435416 496454591 /nfs/dbraw/zinc/45/45/91/496454591.db2.gz FINXKYGHJIARHU-GOSISDBHSA-N 1 2 373.522 3.271 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000175620304 496468060 /nfs/dbraw/zinc/46/80/60/496468060.db2.gz HHVUYDTULIETPA-QGZVFWFLSA-N 1 2 363.465 3.298 10 0 FGAELO Cc1ccccc1Cc1noc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000175620304 496468066 /nfs/dbraw/zinc/46/80/66/496468066.db2.gz HHVUYDTULIETPA-QGZVFWFLSA-N 1 2 363.465 3.298 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nccs2)CC1)c1ccccc1 ZINC000184654949 496480966 /nfs/dbraw/zinc/48/09/66/496480966.db2.gz DCELRUIKWXFUJL-ULQDDVLXSA-N 1 2 372.538 3.088 10 0 FGAELO COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(C)c(Oc2cc[nH+]cc2)c1 ZINC000187637426 496517938 /nfs/dbraw/zinc/51/79/38/496517938.db2.gz IMTWHWOAACWBHQ-HXUWFJFHSA-N 1 2 354.406 3.350 10 0 FGAELO CCC(CC)[C@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)[NH+]1CCOCC1 ZINC000173027935 496525132 /nfs/dbraw/zinc/52/51/32/496525132.db2.gz VDPPBYXHRXYRMW-HRCADAONSA-N 1 2 364.452 3.361 10 0 FGAELO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC(Cn3cccn3)CC2)c1 ZINC000153644602 496530849 /nfs/dbraw/zinc/53/08/49/496530849.db2.gz RLKGIBXWLJITHR-UHFFFAOYSA-N 1 2 364.453 3.228 10 0 FGAELO Cc1cc(=O)oc2cc(OCC[N@@H+]3CCO[C@@H](c4nccs4)C3)ccc12 ZINC000157751493 496545671 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CCc1noc([C@H](C)N2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)n1 ZINC000178992082 496638006 /nfs/dbraw/zinc/63/80/06/496638006.db2.gz JCTRQOMTRZTEBD-ZDUSSCGKSA-N 1 2 364.877 3.173 10 0 FGAELO CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000158398510 496693673 /nfs/dbraw/zinc/69/36/73/496693673.db2.gz SWCTXJDIHAOWJR-QFBILLFUSA-N 1 2 356.470 3.390 10 0 FGAELO CCC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000173438665 496693787 /nfs/dbraw/zinc/69/37/87/496693787.db2.gz IRIIHLKECVAATD-ROUUACIJSA-N 1 2 367.497 3.187 10 0 FGAELO CCC[C@H](C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC000173438665 496693791 /nfs/dbraw/zinc/69/37/91/496693791.db2.gz IRIIHLKECVAATD-ROUUACIJSA-N 1 2 367.497 3.187 10 0 FGAELO COc1ccc2[nH]cc(C3=CC[N@H+](Cc4nnc(C5CC5)n4C)CC3)c2c1 ZINC000195086682 496818390 /nfs/dbraw/zinc/81/83/90/496818390.db2.gz FLJRLXGYYBARGE-UHFFFAOYSA-N 1 2 363.465 3.472 10 0 FGAELO COc1ccc2[nH]cc(C3=CC[N@@H+](Cc4nnc(C5CC5)n4C)CC3)c2c1 ZINC000195086682 496818393 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Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)c1 ZINC000113859019 495332125 /nfs/dbraw/zinc/33/21/25/495332125.db2.gz SPVWKDJGEOYQPF-UHFFFAOYSA-N 1 2 368.525 3.142 10 0 FGAELO CCc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000106091706 495413064 /nfs/dbraw/zinc/41/30/64/495413064.db2.gz WQJPMBIASRKJCW-OAHLLOKOSA-N 1 2 372.538 3.159 10 0 FGAELO CCc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)n1 ZINC000106136587 495418145 /nfs/dbraw/zinc/41/81/45/495418145.db2.gz ATSCFFDHCBEXKV-STQMWFEESA-N 1 2 350.413 3.350 10 0 FGAELO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106193883 495427658 /nfs/dbraw/zinc/42/76/58/495427658.db2.gz SYQDDGOWXZADJX-KSZLIROESA-N 1 2 370.497 3.125 10 0 FGAELO CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106193883 495427663 /nfs/dbraw/zinc/42/76/63/495427663.db2.gz SYQDDGOWXZADJX-KSZLIROESA-N 1 2 370.497 3.125 10 0 FGAELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cc(-c4ccc(C)cc4)no3)CCO2)n1 ZINC000106200476 495428462 /nfs/dbraw/zinc/42/84/62/495428462.db2.gz PFURSUVYXINEJS-FQEVSTJZSA-N 1 2 366.465 3.364 10 0 FGAELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cc(-c4ccc(C)cc4)no3)CCO2)n1 ZINC000106200476 495428467 /nfs/dbraw/zinc/42/84/67/495428467.db2.gz PFURSUVYXINEJS-FQEVSTJZSA-N 1 2 366.465 3.364 10 0 FGAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106209359 495431551 /nfs/dbraw/zinc/43/15/51/495431551.db2.gz BKFWXOQDMXENLR-KRWDZBQOSA-N 1 2 370.501 3.124 10 0 FGAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000106209359 495431553 /nfs/dbraw/zinc/43/15/53/495431553.db2.gz BKFWXOQDMXENLR-KRWDZBQOSA-N 1 2 370.501 3.124 10 0 FGAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000106758947 495493332 /nfs/dbraw/zinc/49/33/32/495493332.db2.gz XIYOTNSMFXEASR-IEBWSBKVSA-N 1 2 374.481 3.106 10 0 FGAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000106758947 495493335 /nfs/dbraw/zinc/49/33/35/495493335.db2.gz XIYOTNSMFXEASR-IEBWSBKVSA-N 1 2 374.481 3.106 10 0 FGAELO C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000106907221 495509839 /nfs/dbraw/zinc/50/98/39/495509839.db2.gz HJGUPNIIRDKKQX-INIZCTEOSA-N 1 2 369.856 3.237 10 0 FGAELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCC[C@H]1c1nccs1 ZINC000176204114 495544374 /nfs/dbraw/zinc/54/43/74/495544374.db2.gz JZGZRVSPUCNXIC-HNNXBMFYSA-N 1 2 368.466 3.161 10 0 FGAELO Cc1csc([C@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(C)C)C2)n1 ZINC000173501001 495560911 /nfs/dbraw/zinc/56/09/11/495560911.db2.gz GUBWAPFXFQDHLF-HNNXBMFYSA-N 1 2 361.515 3.393 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)c3cnc4ccc(F)cc4c3)CC2)s1 ZINC000179386865 495571165 /nfs/dbraw/zinc/57/11/65/495571165.db2.gz FBTRWAHPWLSQLA-UHFFFAOYSA-N 1 2 370.453 3.097 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)C/C=C/c3ccc(F)cc3)CC2)s1 ZINC000176274286 495574124 /nfs/dbraw/zinc/57/41/24/495574124.db2.gz CWIFDUDPYISUQS-NSCUHMNNSA-N 1 2 359.470 3.338 10 0 FGAELO CCn1cc(C2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)cn1 ZINC000173604988 495609677 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Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c(Cl)c1 ZINC000170940877 495661002 /nfs/dbraw/zinc/66/10/02/495661002.db2.gz ABLAVVNOOKMWIX-AWEZNQCLSA-N 1 2 373.888 3.342 10 0 FGAELO CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000154612341 495671198 /nfs/dbraw/zinc/67/11/98/495671198.db2.gz TWAWDJHTBZPNER-GFCCVEGCSA-N 1 2 357.845 3.313 10 0 FGAELO COCc1ccccc1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000176519061 495679500 /nfs/dbraw/zinc/67/95/00/495679500.db2.gz JBMLKOCCXLIFSV-GOSISDBHSA-N 1 2 374.506 3.040 10 0 FGAELO CCCc1ccc([C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C(C)C)cc1 ZINC000173790939 495695494 /nfs/dbraw/zinc/69/54/94/495695494.db2.gz IYWDLXPRYRYJRW-NHCUHLMSSA-N 1 2 373.541 3.452 10 0 FGAELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2cc(F)ccc2F)c2cccs2)CCO1 ZINC000176581943 495708097 /nfs/dbraw/zinc/70/80/97/495708097.db2.gz YDQFJZUEDWJNGB-WBMJQRKESA-N 1 2 366.433 3.218 10 0 FGAELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2cc(F)ccc2F)c2cccs2)CCO1 ZINC000176581943 495708104 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FGAELO Cc1cc(C)n(C[C@H]2C[N@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)n1 ZINC000183060332 495818565 /nfs/dbraw/zinc/81/85/65/495818565.db2.gz DDONXUKMIJJAGQ-HXUWFJFHSA-N 1 2 371.529 3.182 10 0 FGAELO Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cn(C)nc3C3CCCCC3)CCO2)n1 ZINC000183060332 495818572 /nfs/dbraw/zinc/81/85/72/495818572.db2.gz DDONXUKMIJJAGQ-HXUWFJFHSA-N 1 2 371.529 3.182 10 0 FGAELO Cc1ccc(NC(=O)[C@H](C)[S@](=O)Cc2[nH+]ccn2C(C)C)c(F)c1 ZINC000176878787 495823284 /nfs/dbraw/zinc/82/32/84/495823284.db2.gz CXKJYHJCRHTNEJ-RKNYENMMSA-N 1 2 351.447 3.187 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)CCC(=O)Nc1ccccc1Cl ZINC000176881479 495824339 /nfs/dbraw/zinc/82/43/39/495824339.db2.gz JFCCYDZCAWLZNV-HSZRJFAPSA-N 1 2 353.875 3.395 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000171410685 495862803 /nfs/dbraw/zinc/86/28/03/495862803.db2.gz VWQQHDHTLJXDNZ-AWEZNQCLSA-N 1 2 364.243 3.248 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)cn1 ZINC000171410685 495862805 /nfs/dbraw/zinc/86/28/05/495862805.db2.gz VWQQHDHTLJXDNZ-AWEZNQCLSA-N 1 2 364.243 3.248 10 0 FGAELO C[C@H](NC(=O)N(C)Cc1nccn1C(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000174214542 495867133 /nfs/dbraw/zinc/86/71/33/495867133.db2.gz NDUXDTZMBRECQC-ZDUSSCGKSA-N 1 2 374.395 3.367 10 0 FGAELO COc1ccc(CNC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1O ZINC000174214570 495867486 /nfs/dbraw/zinc/86/74/86/495867486.db2.gz JEWUYUXRHRCFSH-AWEZNQCLSA-N 1 2 366.421 3.147 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@H+](Cc3cn(-c4ccc(Cl)cc4)nn3)C2)no1 ZINC000176980372 495868786 /nfs/dbraw/zinc/86/87/86/495868786.db2.gz NZEPYYBWGYYEIR-CQSZACIVSA-N 1 2 372.860 3.067 10 0 FGAELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3cn(-c4ccc(Cl)cc4)nn3)C2)no1 ZINC000176980372 495868793 /nfs/dbraw/zinc/86/87/93/495868793.db2.gz NZEPYYBWGYYEIR-CQSZACIVSA-N 1 2 372.860 3.067 10 0 FGAELO CCc1cc2c(C[N@@H+]3CCO[C@@H](c4nccs4)C3)cc(=O)oc2cc1O ZINC000171666980 495980661 /nfs/dbraw/zinc/98/06/61/495980661.db2.gz JORUCMXXKHVMNA-QGZVFWFLSA-N 1 2 372.446 3.091 10 0 FGAELO CCc1cc2c(C[N@H+]3CCO[C@@H](c4nccs4)C3)cc(=O)oc2cc1O ZINC000171666980 495980667 /nfs/dbraw/zinc/98/06/67/495980667.db2.gz JORUCMXXKHVMNA-QGZVFWFLSA-N 1 2 372.446 3.091 10 0 FGAELO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000171704856 495997757 /nfs/dbraw/zinc/99/77/57/495997757.db2.gz NOOQDCGHIQLDRC-INIZCTEOSA-N 1 2 373.497 3.247 10 0 FGAELO CCCCc1oc2ccccc2c1CN(C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000171704856 495997759 /nfs/dbraw/zinc/99/77/59/495997759.db2.gz NOOQDCGHIQLDRC-INIZCTEOSA-N 1 2 373.497 3.247 10 0 FGAELO Cc1ccc(NC(=O)N2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)c(C)[nH+]1 ZINC000186532650 496033662 /nfs/dbraw/zinc/03/36/62/496033662.db2.gz PMIPFIIWYYXHJV-UXLLHSPISA-N 1 2 374.485 3.465 10 0 FGAELO CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000174679931 496058329 /nfs/dbraw/zinc/05/83/29/496058329.db2.gz NCABWCPLCUUAGM-AWEZNQCLSA-N 1 2 363.421 3.115 10 0 FGAELO C[C@H](NC(=O)NCCc1nc2ccccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174720339 496075713 /nfs/dbraw/zinc/07/57/13/496075713.db2.gz SCYHLGMDIGUQQQ-HNNXBMFYSA-N 1 2 374.448 3.352 10 0 FGAELO Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177486151 496080676 /nfs/dbraw/zinc/08/06/76/496080676.db2.gz QRGDUIFXZCTYPM-MRXNPFEDSA-N 1 2 351.454 3.090 10 0 FGAELO CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)C12CCCC2 ZINC000156167396 496175797 /nfs/dbraw/zinc/17/57/97/496175797.db2.gz HGFVTSGATMHHSM-IAGOWNOFSA-N 1 2 354.454 3.077 10 0 FGAELO CC[C@H](C)CN(C)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000174988660 496195766 /nfs/dbraw/zinc/19/57/66/496195766.db2.gz AGEINBIHFJKYBT-GOEBONIOSA-N 1 2 353.532 3.117 10 0 FGAELO O=C(c1cnc(Cc2ccc(F)cc2)s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177795969 496200245 /nfs/dbraw/zinc/20/02/45/496200245.db2.gz CJNDOWYYOVUGTP-MRXNPFEDSA-N 1 2 370.453 3.374 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)N(C)C2CCCCC2)[NH+]2CCOCC2)s1 ZINC000175007951 496204517 /nfs/dbraw/zinc/20/45/17/496204517.db2.gz YNSBTQYKDRIQNB-QGZVFWFLSA-N 1 2 365.543 3.404 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCC(=O)N3C)no1 ZINC000186927063 496215203 /nfs/dbraw/zinc/21/52/03/496215203.db2.gz OOEIODGDKDLBAD-KRWDZBQOSA-N 1 2 354.454 3.439 10 0 FGAELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2ccc3c(c2)CCC(=O)N3C)no1 ZINC000186927063 496215207 /nfs/dbraw/zinc/21/52/07/496215207.db2.gz OOEIODGDKDLBAD-KRWDZBQOSA-N 1 2 354.454 3.439 10 0 FGAELO CCN(CC(C)C)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175041171 496222038 /nfs/dbraw/zinc/22/20/38/496222038.db2.gz HEHPSPZBLJEDCP-HZPDHXFCSA-N 1 2 353.532 3.197 10 0 FGAELO CCN(CC(C)C)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175041171 496222043 /nfs/dbraw/zinc/22/20/43/496222043.db2.gz HEHPSPZBLJEDCP-HZPDHXFCSA-N 1 2 353.532 3.197 10 0 FGAELO CC(C)CN(C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000175044378 496223139 /nfs/dbraw/zinc/22/31/39/496223139.db2.gz VDEVTTHCFHEBPX-WBVHZDCISA-N 1 2 365.543 3.340 10 0 FGAELO CC(C)CN(C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000175044378 496223142 /nfs/dbraw/zinc/22/31/42/496223142.db2.gz VDEVTTHCFHEBPX-WBVHZDCISA-N 1 2 365.543 3.340 10 0 FGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000184211627 496288914 /nfs/dbraw/zinc/28/89/14/496288914.db2.gz XREQLRIRWBVKHZ-OAQYLSRUSA-N 1 2 369.509 3.375 10 0 FGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000184211627 496288916 /nfs/dbraw/zinc/28/89/16/496288916.db2.gz XREQLRIRWBVKHZ-OAQYLSRUSA-N 1 2 369.509 3.375 10 0 FGAELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ncc(-c2cccc(F)c2)o1 ZINC000178165072 496353151 /nfs/dbraw/zinc/35/31/51/496353151.db2.gz QLKIYIIXSVJALM-UHFFFAOYSA-N 1 2 363.414 3.373 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)NC3CCC(C)(C)CC3)CC2)s1 ZINC000175452808 496398393 /nfs/dbraw/zinc/39/83/93/496398393.db2.gz PIIQMJXRQQHANI-UHFFFAOYSA-N 1 2 350.532 3.248 10 0 FGAELO O=C(c1cc2c(s1)-c1ccccc1CC2)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172751161 496414654 /nfs/dbraw/zinc/41/46/54/496414654.db2.gz MQJHZNDNVQBYRD-KRWDZBQOSA-N 1 2 368.502 3.060 10 0 FGAELO C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752573 496415940 /nfs/dbraw/zinc/41/59/40/496415940.db2.gz QUGFYUAMDPFOCL-BBRMVZONSA-N 1 2 371.308 3.105 10 0 FGAELO O=C(c1occc1CSc1ccccc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172762577 496420233 /nfs/dbraw/zinc/42/02/33/496420233.db2.gz RNOJQTKIFPUGLS-KRWDZBQOSA-N 1 2 372.490 3.119 10 0 FGAELO C[C@@H]1CCCC[C@H]1NC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178435214 496455036 /nfs/dbraw/zinc/45/50/36/496455036.db2.gz RWEXXKYOZRTOTB-ZACQAIPSSA-N 1 2 365.543 3.342 10 0 FGAELO Cc1ccc([C@H](CNC(=O)NCc2cccc(C)c2)[NH+]2CCOCC2)s1 ZINC000178515514 496483588 /nfs/dbraw/zinc/48/35/88/496483588.db2.gz WOTXRJUKFXDGMS-SFHVURJKSA-N 1 2 373.522 3.238 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2C)[NH+]2CCOCC2)s1 ZINC000153765775 496572429 /nfs/dbraw/zinc/57/24/29/496572429.db2.gz WPWKMHDSMXCZCS-QGZVFWFLSA-N 1 2 362.470 3.307 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000178800852 496576637 /nfs/dbraw/zinc/57/66/37/496576637.db2.gz ZIUNXHQOUAKYLY-NWLBTCKQSA-N 1 2 358.507 3.122 10 0 FGAELO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc([S@](C)=O)cc1)c1ccccc1 ZINC000178800852 496576642 /nfs/dbraw/zinc/57/66/42/496576642.db2.gz ZIUNXHQOUAKYLY-NWLBTCKQSA-N 1 2 358.507 3.122 10 0 FGAELO Cn1cc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(N3CCCCC3)cc2)cn1 ZINC000173314660 496639792 /nfs/dbraw/zinc/63/97/92/496639792.db2.gz QKIPMCNNPZHWRM-FQEVSTJZSA-N 1 2 367.497 3.186 10 0 FGAELO Cn1cc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(N3CCCCC3)cc2)cn1 ZINC000173314660 496639798 /nfs/dbraw/zinc/63/97/98/496639798.db2.gz QKIPMCNNPZHWRM-FQEVSTJZSA-N 1 2 367.497 3.186 10 0 FGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173398957 496674760 /nfs/dbraw/zinc/67/47/60/496674760.db2.gz PCDMNKLEYJIASE-CQSZACIVSA-N 1 2 352.891 3.310 10 0 FGAELO CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000173398957 496674761 /nfs/dbraw/zinc/67/47/61/496674761.db2.gz PCDMNKLEYJIASE-CQSZACIVSA-N 1 2 352.891 3.310 10 0 FGAELO CCCCN(CC)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173401071 496675972 /nfs/dbraw/zinc/67/59/72/496675972.db2.gz OYLKNUDWQXGHBF-WIYYLYMNSA-N 1 2 373.541 3.106 10 0 FGAELO CC[C@@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)[nH+]cn1)c1ccccc1 ZINC000173432834 496691025 /nfs/dbraw/zinc/69/10/25/496691025.db2.gz IMSJAKDWHCKKDF-FUHWJXTLSA-N 1 2 367.497 3.187 10 0 FGAELO CC[C@@H](CC(=O)NC[C@H]1CCCN1c1cc(NC)nc[nH+]1)c1ccccc1 ZINC000173432834 496691033 /nfs/dbraw/zinc/69/10/33/496691033.db2.gz IMSJAKDWHCKKDF-FUHWJXTLSA-N 1 2 367.497 3.187 10 0 FGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000167852519 496707197 /nfs/dbraw/zinc/70/71/97/496707197.db2.gz ICDUZHHPWYVDKR-QAPCUYQASA-N 1 2 350.470 3.271 10 0 FGAELO CCO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C12CCCC2 ZINC000247292738 496826958 /nfs/dbraw/zinc/82/69/58/496826958.db2.gz UFVQSVITLSPJBO-OKZBNKHCSA-N 1 2 374.529 3.122 10 0 FGAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cs1 ZINC000247539542 496882757 /nfs/dbraw/zinc/88/27/57/496882757.db2.gz QPXDMPLHXJQMDQ-PBHICJAKSA-N 1 2 350.532 3.248 10 0 FGAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C)CC2)cs1 ZINC000247539542 496882758 /nfs/dbraw/zinc/88/27/58/496882758.db2.gz QPXDMPLHXJQMDQ-PBHICJAKSA-N 1 2 350.532 3.248 10 0 FGAELO C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195507810 496944730 /nfs/dbraw/zinc/94/47/30/496944730.db2.gz VRWQGXYYVWYBSY-WMLDXEAASA-N 1 2 358.511 3.403 10 0 FGAELO O=C(C[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000195506851 496944914 /nfs/dbraw/zinc/94/49/14/496944914.db2.gz WTDFPHFVHNFYOL-UHFFFAOYSA-N 1 2 367.497 3.218 10 0 FGAELO CCCc1nc(C[NH+]2CCC(N(C)CC(=O)OC(C)(C)C)CC2)cs1 ZINC000191980549 496952300 /nfs/dbraw/zinc/95/23/00/496952300.db2.gz ZKCJFZMJKLVQJY-UHFFFAOYSA-N 1 2 367.559 3.334 10 0 FGAELO Cc1csc([C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CCO2)n1 ZINC000264659721 496955965 /nfs/dbraw/zinc/95/59/65/496955965.db2.gz LIVDRYYVSRQNDO-HIFRSBDPSA-N 1 2 359.499 3.056 10 0 FGAELO Cc1csc([C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CCO2)n1 ZINC000264659721 496955971 /nfs/dbraw/zinc/95/59/71/496955971.db2.gz LIVDRYYVSRQNDO-HIFRSBDPSA-N 1 2 359.499 3.056 10 0 FGAELO C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192000868 496958912 /nfs/dbraw/zinc/95/89/12/496958912.db2.gz QAFQUFGOIPSISW-WBVHZDCISA-N 1 2 357.454 3.274 10 0 FGAELO C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000192000868 496958917 /nfs/dbraw/zinc/95/89/17/496958917.db2.gz QAFQUFGOIPSISW-WBVHZDCISA-N 1 2 357.454 3.274 10 0 FGAELO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000192000868 496958922 /nfs/dbraw/zinc/95/89/22/496958922.db2.gz QAFQUFGOIPSISW-WBVHZDCISA-N 1 2 357.454 3.274 10 0 FGAELO C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000192000868 496958926 /nfs/dbraw/zinc/95/89/26/496958926.db2.gz QAFQUFGOIPSISW-WBVHZDCISA-N 1 2 357.454 3.274 10 0 FGAELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)N2CCCC3(CC3)C2)c2cccs2)CCO1 ZINC000248589492 497049899 /nfs/dbraw/zinc/04/98/99/497049899.db2.gz XVOKEMSJOWYIKJ-HZPDHXFCSA-N 1 2 363.527 3.096 10 0 FGAELO C[C@@H]1C[N@H+]([C@H](CNC(=O)N2CCCC3(CC3)C2)c2cccs2)CCO1 ZINC000248589492 497049904 /nfs/dbraw/zinc/04/99/04/497049904.db2.gz XVOKEMSJOWYIKJ-HZPDHXFCSA-N 1 2 363.527 3.096 10 0 FGAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000248627090 497063278 /nfs/dbraw/zinc/06/32/78/497063278.db2.gz FDJQRPRAUWCGDQ-VQIMIIECSA-N 1 2 372.513 3.295 10 0 FGAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C ZINC000248627090 497063282 /nfs/dbraw/zinc/06/32/82/497063282.db2.gz FDJQRPRAUWCGDQ-VQIMIIECSA-N 1 2 372.513 3.295 10 0 FGAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NCCOc2cccc(C)c2)cs1 ZINC000189763943 497235883 /nfs/dbraw/zinc/23/58/83/497235883.db2.gz PTKHJAJAUBXBFU-SFHVURJKSA-N 1 2 359.495 3.092 10 0 FGAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NCCOc2cccc(C)c2)cs1 ZINC000189763943 497235888 /nfs/dbraw/zinc/23/58/88/497235888.db2.gz PTKHJAJAUBXBFU-SFHVURJKSA-N 1 2 359.495 3.092 10 0 FGAELO Cc1nc([C@@H]2CCC[N@@H+]2CC(=O)NCC2(c3ccccc3)CC2)cs1 ZINC000189784952 497244352 /nfs/dbraw/zinc/24/43/52/497244352.db2.gz WXTYCWKZAQCQPD-SFHVURJKSA-N 1 2 355.507 3.436 10 0 FGAELO Cc1nc([C@@H]2CCC[N@H+]2CC(=O)NCC2(c3ccccc3)CC2)cs1 ZINC000189784952 497244355 /nfs/dbraw/zinc/24/43/55/497244355.db2.gz WXTYCWKZAQCQPD-SFHVURJKSA-N 1 2 355.507 3.436 10 0 FGAELO Cc1cccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC2)c1 ZINC000243290001 497358611 /nfs/dbraw/zinc/35/86/11/497358611.db2.gz LCSZLOBEWAKONI-GOSISDBHSA-N 1 2 351.498 3.348 10 0 FGAELO Cc1cccc(N2CCN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CC2)c1 ZINC000243290001 497358616 /nfs/dbraw/zinc/35/86/16/497358616.db2.gz LCSZLOBEWAKONI-GOSISDBHSA-N 1 2 351.498 3.348 10 0 FGAELO COc1ccc(-c2n[nH]cc2C(=O)N2CCn3cc[nH+]c3[C@H]2C(C)C)cc1 ZINC000257189811 497386327 /nfs/dbraw/zinc/38/63/27/497386327.db2.gz JXXRGOFSOBAIQL-GOSISDBHSA-N 1 2 365.437 3.135 10 0 FGAELO 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CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC000173592878 495603686 /nfs/dbraw/zinc/60/36/86/495603686.db2.gz UUXBQMDIWSMPAI-MRXNPFEDSA-N 1 2 351.410 3.356 10 0 FGAELO O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176334549 495605290 /nfs/dbraw/zinc/60/52/90/495605290.db2.gz ICKRHHKSCZCIAA-CYBMUJFWSA-N 1 2 354.332 3.478 10 0 FGAELO Cc1ccc([C@@H](CNC(=O)N(C(C)C)C2CC2)[NH+]2CCOCC2)s1 ZINC000176414926 495643865 /nfs/dbraw/zinc/64/38/65/495643865.db2.gz IFAPBCGZUDSOBI-MRXNPFEDSA-N 1 2 351.516 3.012 10 0 FGAELO C[C@H]1CN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)CCS1 ZINC000170901326 495648026 /nfs/dbraw/zinc/64/80/26/495648026.db2.gz FWBJYWIYWUMQOB-AWEZNQCLSA-N 1 2 371.506 3.121 10 0 FGAELO CC(C)C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000176436410 495651194 /nfs/dbraw/zinc/65/11/94/495651194.db2.gz LVOOJLGPROASRO-SJORKVTESA-N 1 2 353.894 3.057 10 0 FGAELO CC(C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccc(Cl)cc1 ZINC000176436410 495651198 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CCCc1sc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1CC ZINC000173840978 495715454 /nfs/dbraw/zinc/71/54/54/495715454.db2.gz OUURWDXJAWPYHO-GOEBONIOSA-N 1 2 350.528 3.056 10 0 FGAELO COc1ccccc1COC1CC[NH+](Cc2nnc(C(C)C)n2C)CC1 ZINC000179751473 495718573 /nfs/dbraw/zinc/71/85/73/495718573.db2.gz PGWHOVQOYKJGHC-UHFFFAOYSA-N 1 2 358.486 3.128 10 0 FGAELO C[C@@H]1CN(C(=O)c2ccccc2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173869622 495726556 /nfs/dbraw/zinc/72/65/56/495726556.db2.gz FHBHDZSARQZKPC-GCJKJVERSA-N 1 2 364.489 3.070 10 0 FGAELO COc1ccccc1NCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173920530 495748389 /nfs/dbraw/zinc/74/83/89/495748389.db2.gz SRIGSEIOVNLJPA-HNNXBMFYSA-N 1 2 350.422 3.170 10 0 FGAELO C[C@H](NC(=O)c1ccc(C(=O)N(C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173926291 495750663 /nfs/dbraw/zinc/75/06/63/495750663.db2.gz GBAVZVJGRSCMHT-HNNXBMFYSA-N 1 2 362.433 3.065 10 0 FGAELO Cc1cc(-n2cncn2)ccc1C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938104 495754297 /nfs/dbraw/zinc/75/42/97/495754297.db2.gz LCCKTRNITDJOPU-MRXNPFEDSA-N 1 2 372.432 3.252 10 0 FGAELO CCCc1noc(CCCC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n1 ZINC000173941157 495755743 /nfs/dbraw/zinc/75/57/43/495755743.db2.gz NFGRVYMVLUDUND-HNNXBMFYSA-N 1 2 367.453 3.408 10 0 FGAELO Cc1c(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cnn1-c1ccccn1 ZINC000173940514 495755775 /nfs/dbraw/zinc/75/57/75/495755775.db2.gz LZHVUZXHOQQLAB-HNNXBMFYSA-N 1 2 372.432 3.252 10 0 FGAELO Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000173967869 495769073 /nfs/dbraw/zinc/76/90/73/495769073.db2.gz QFNYIMZBFHKEJF-CQSZACIVSA-N 1 2 359.426 3.359 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)Cc1nc(CCc2ccccc2)no1 ZINC000176845436 495808722 /nfs/dbraw/zinc/80/87/22/495808722.db2.gz YVZPEJRYAJUWEW-RUZDIDTESA-N 1 2 358.467 3.081 10 0 FGAELO CC(C)N(Cc1ccccc1)C(=O)C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176880191 495822966 /nfs/dbraw/zinc/82/29/66/495822966.db2.gz OCTLZLPATFAISU-RUZDIDTESA-N 1 2 361.511 3.150 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000176887548 495828149 /nfs/dbraw/zinc/82/81/49/495828149.db2.gz ACXJUKXGVCWMRT-WXTAPIANSA-N 1 2 373.522 3.249 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000176891989 495830804 /nfs/dbraw/zinc/83/08/04/495830804.db2.gz HWSWYZVCTOTPSE-SPSFWMDKSA-N 1 2 353.875 3.393 10 0 FGAELO CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cc1 ZINC000151496141 495858119 /nfs/dbraw/zinc/85/81/19/495858119.db2.gz FBFBIADRQHPJNK-IAGOWNOFSA-N 1 2 370.497 3.410 10 0 FGAELO Cc1nnc([C@H]2C[N@H+](Cc3cnc(-c4ccc(C)cc4)s3)CCO2)[nH]1 ZINC000180119454 495865479 /nfs/dbraw/zinc/86/54/79/495865479.db2.gz CTSQDLGURRIHPV-MRXNPFEDSA-N 1 2 355.467 3.119 10 0 FGAELO Cc1nnc([C@H]2C[N@@H+](Cc3cnc(-c4ccc(C)cc4)s3)CCO2)[nH]1 ZINC000180119454 495865489 /nfs/dbraw/zinc/86/54/89/495865489.db2.gz CTSQDLGURRIHPV-MRXNPFEDSA-N 1 2 355.467 3.119 10 0 FGAELO CCc1nc(C2([NH2+]C[C@H](O)COc3ccccc3Cl)CCCC2)no1 ZINC000174234960 495874763 /nfs/dbraw/zinc/87/47/63/495874763.db2.gz HUIWIDAYMCYBFW-ZDUSSCGKSA-N 1 2 365.861 3.084 10 0 FGAELO CCc1nc(C2([NH2+]C[C@@H](O)COc3c(C)cccc3C)CCCC2)no1 ZINC000174238136 495877664 /nfs/dbraw/zinc/87/76/64/495877664.db2.gz RLZWCBSPVVIIQE-MRXNPFEDSA-N 1 2 359.470 3.048 10 0 FGAELO COC(=O)c1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)c(C)s1 ZINC000177059430 495905582 /nfs/dbraw/zinc/90/55/82/495905582.db2.gz XTDXQYVJOMLIGG-UHFFFAOYSA-N 1 2 371.462 3.307 10 0 FGAELO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[NH+]2CCC(c3ccnn3C)CC2)c1C ZINC000171639672 495959429 /nfs/dbraw/zinc/95/94/29/495959429.db2.gz ZSZRSKKRSMRMRL-CQSZACIVSA-N 1 2 356.470 3.018 10 0 FGAELO CCc1c(C(=O)CN2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]c(C)c1C(C)=O ZINC000171640579 495960399 /nfs/dbraw/zinc/96/03/99/495960399.db2.gz WLLPYYSKYYXADN-INIZCTEOSA-N 1 2 368.481 3.100 10 0 FGAELO O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665502 495979863 /nfs/dbraw/zinc/97/98/63/495979863.db2.gz UHOSJRZUZZJTEN-HKUYNNGSSA-N 1 2 370.474 3.110 10 0 FGAELO O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171665502 495979871 /nfs/dbraw/zinc/97/98/71/495979871.db2.gz UHOSJRZUZZJTEN-HKUYNNGSSA-N 1 2 370.474 3.110 10 0 FGAELO Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)cc1 ZINC000171706788 495998568 /nfs/dbraw/zinc/99/85/68/495998568.db2.gz QDPCQJUKOQNDKP-LJQANCHMSA-N 1 2 355.438 3.239 10 0 FGAELO Cc1ccc(Oc2ccc(NC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)cc1 ZINC000171706788 495998575 /nfs/dbraw/zinc/99/85/75/495998575.db2.gz QDPCQJUKOQNDKP-LJQANCHMSA-N 1 2 355.438 3.239 10 0 FGAELO C[C@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177262905 495999913 /nfs/dbraw/zinc/99/99/13/495999913.db2.gz ITXURMHASAKKPA-KSSFIOAISA-N 1 2 361.873 3.148 10 0 FGAELO CCn1cc[nH+]c1CS(=O)(=O)c1nccn1-c1cccc(Cl)c1C ZINC000177312432 496014473 /nfs/dbraw/zinc/01/44/73/496014473.db2.gz AOKYHHBWFMKADL-UHFFFAOYSA-N 1 2 364.858 3.024 10 0 FGAELO O=C(Nc1cc(F)ccc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180522218 496030683 /nfs/dbraw/zinc/03/06/83/496030683.db2.gz XDNFGJMRRPWUOB-GFCCVEGCSA-N 1 2 367.222 3.481 10 0 FGAELO O=C(N[C@@H](c1ccco1)c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177368365 496034102 /nfs/dbraw/zinc/03/41/02/496034102.db2.gz FBRIGCRTTGMKDD-IEBWSBKVSA-N 1 2 350.422 3.440 10 0 FGAELO O=C(NCCCCOc1ccc(F)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177371663 496035392 /nfs/dbraw/zinc/03/53/92/496035392.db2.gz CCYYHTIQJOJAKC-QGZVFWFLSA-N 1 2 360.433 3.055 10 0 FGAELO CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000177385242 496041475 /nfs/dbraw/zinc/04/14/75/496041475.db2.gz GATPCAYDMXHJEE-GFCCVEGCSA-N 1 2 355.269 3.338 10 0 FGAELO CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)n1C ZINC000177385242 496041470 /nfs/dbraw/zinc/04/14/70/496041470.db2.gz GATPCAYDMXHJEE-GFCCVEGCSA-N 1 2 355.269 3.338 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)Nc1ccc3oc(=O)ccc3c1)C2 ZINC000171844032 496060295 /nfs/dbraw/zinc/06/02/95/496060295.db2.gz LWJADFLIAYVOPR-UHFFFAOYSA-N 1 2 366.421 3.240 10 0 FGAELO Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)s1 ZINC000171899673 496083745 /nfs/dbraw/zinc/08/37/45/496083745.db2.gz RBUPRPRRQMNGRJ-LJQANCHMSA-N 1 2 370.522 3.430 10 0 FGAELO O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nc2ccccc2s1 ZINC000171922945 496093365 /nfs/dbraw/zinc/09/33/65/496093365.db2.gz BLDOQIKKKQHVGG-CQSZACIVSA-N 1 2 367.478 3.064 10 0 FGAELO O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1nc2ccccc2s1 ZINC000171922945 496093370 /nfs/dbraw/zinc/09/33/70/496093370.db2.gz BLDOQIKKKQHVGG-CQSZACIVSA-N 1 2 367.478 3.064 10 0 FGAELO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)Nc1nc2ccccc2s1 ZINC000171922945 496093375 /nfs/dbraw/zinc/09/33/75/496093375.db2.gz BLDOQIKKKQHVGG-CQSZACIVSA-N 1 2 367.478 3.064 10 0 FGAELO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)Nc1nc2ccccc2s1 ZINC000171922945 496093379 /nfs/dbraw/zinc/09/33/79/496093379.db2.gz BLDOQIKKKQHVGG-CQSZACIVSA-N 1 2 367.478 3.064 10 0 FGAELO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177558661 496110819 /nfs/dbraw/zinc/11/08/19/496110819.db2.gz PNTVRNWCYIOTDE-AWEZNQCLSA-N 1 2 360.462 3.092 10 0 FGAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000183804211 496121961 /nfs/dbraw/zinc/12/19/61/496121961.db2.gz FNLKIUZVRUEABZ-CRAIPNDOSA-N 1 2 360.546 3.144 10 0 FGAELO Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3ccc(F)c(Cl)c3)sc2n1 ZINC000180734416 496123428 /nfs/dbraw/zinc/12/34/28/496123428.db2.gz GMBRKMHTWSXXQQ-VIFPVBQESA-N 1 2 352.822 3.103 10 0 FGAELO CCc1csc([C@@H]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)C2)n1 ZINC000172043062 496139666 /nfs/dbraw/zinc/13/96/66/496139666.db2.gz XKDHXPUKVMKQKL-CQSZACIVSA-N 1 2 354.479 3.302 10 0 FGAELO O=C(c1cc(F)ccc1Br)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177781671 496192792 /nfs/dbraw/zinc/19/27/92/496192792.db2.gz RASVNGDINWJHKB-GFCCVEGCSA-N 1 2 352.207 3.090 10 0 FGAELO CC[C@H]1CCCN(C(=O)NC[C@H](c2ccc(C)s2)[NH+]2CCOCC2)C1 ZINC000174980468 496192318 /nfs/dbraw/zinc/19/23/18/496192318.db2.gz UACSMCLEASASCE-DLBZAZTESA-N 1 2 365.543 3.261 10 0 FGAELO Cc1ccc([C@H](CNC(=O)N2CCC[C@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000175012047 496206960 /nfs/dbraw/zinc/20/69/60/496206960.db2.gz SOEWEHMRNFVYKA-RDJZCZTQSA-N 1 2 365.543 3.261 10 0 FGAELO CCc1nc(C2(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)CCCC2)no1 ZINC000175148846 496267188 /nfs/dbraw/zinc/26/71/88/496267188.db2.gz PJMGFFXMHIYOLM-UHFFFAOYSA-N 1 2 351.410 3.017 10 0 FGAELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cc3ccccc3[nH]2)c2cccs2)CCO1 ZINC000177974834 496272647 /nfs/dbraw/zinc/27/26/47/496272647.db2.gz NNFYUPGXAAHFNW-KSSFIOAISA-N 1 2 369.490 3.421 10 0 FGAELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cc3ccccc3[nH]2)c2cccs2)CCO1 ZINC000177974834 496272655 /nfs/dbraw/zinc/27/26/55/496272655.db2.gz NNFYUPGXAAHFNW-KSSFIOAISA-N 1 2 369.490 3.421 10 0 FGAELO C[C@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(C(F)(F)F)c1 ZINC000172745687 496412024 /nfs/dbraw/zinc/41/20/24/496412024.db2.gz PYPCXACFZKWERL-RHSMWYFYSA-N 1 2 370.415 3.132 10 0 FGAELO Cc1ccc(-c2ccc(C(=O)N3CC[C@H]([NH+]4CCOCC4)C3)c(F)c2)cc1 ZINC000172768700 496421980 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495714183 /nfs/dbraw/zinc/71/41/83/495714183.db2.gz HITRGFHKJZNUOH-BEFAXECRSA-N 1 2 370.518 3.429 10 0 FGAELO C[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173855186 495721065 /nfs/dbraw/zinc/72/10/65/495721065.db2.gz RIVMMJNNAWVRTR-UWJYYQICSA-N 1 2 366.461 3.272 10 0 FGAELO O=C(NCC1CCC(c2ccccc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173908950 495742809 /nfs/dbraw/zinc/74/28/09/495742809.db2.gz ALLCDLJXXHAOSX-DQVLVPHSSA-N 1 2 371.525 3.077 10 0 FGAELO C[C@@H](NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173914004 495744811 /nfs/dbraw/zinc/74/48/11/495744811.db2.gz HLSJQZKSVOBZFB-CQSZACIVSA-N 1 2 372.469 3.353 10 0 FGAELO C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173928853 495750836 /nfs/dbraw/zinc/75/08/36/495750836.db2.gz QHQXGAQKHKTZTD-KRWDZBQOSA-N 1 2 371.444 3.478 10 0 FGAELO Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173938093 495754521 /nfs/dbraw/zinc/75/45/21/495754521.db2.gz LCCKTRNITDJOPU-INIZCTEOSA-N 1 2 372.432 3.252 10 0 FGAELO Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000176705881 495756208 /nfs/dbraw/zinc/75/62/08/495756208.db2.gz JSUOUZVYNLDEPX-PBHICJAKSA-N 1 2 374.510 3.343 10 0 FGAELO Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)c(C)n1 ZINC000176705881 495756210 /nfs/dbraw/zinc/75/62/10/495756210.db2.gz JSUOUZVYNLDEPX-PBHICJAKSA-N 1 2 374.510 3.343 10 0 FGAELO Cc1ccc(CN(C(=O)C[S@@](=O)Cc2[nH+]ccn2C(C)C)C2CC2)cc1 ZINC000176888609 495827461 /nfs/dbraw/zinc/82/74/61/495827461.db2.gz MJNWKYDJHSBNCQ-SANMLTNESA-N 1 2 373.522 3.212 10 0 FGAELO CC(C)n1cc[nH+]c1C[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000176897183 495832468 /nfs/dbraw/zinc/83/24/68/495832468.db2.gz HFMXLQPEMWIELS-DZWULXIXSA-N 1 2 365.474 3.118 10 0 FGAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1csc(-c2ccsc2)n1 ZINC000176904160 495835153 /nfs/dbraw/zinc/83/51/53/495835153.db2.gz FDSWIQUBRBVADT-UHFFFAOYSA-N 1 2 353.494 3.203 10 0 FGAELO COC(=O)CCCc1nc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)no1 ZINC000183134104 495848337 /nfs/dbraw/zinc/84/83/37/495848337.db2.gz KXPQXFZRUJBSKC-IBGZPJMESA-N 1 2 357.454 3.369 10 0 FGAELO C[C@@H](NC(=O)N1CCC[C@@H]1c1cnn(C)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174212008 495867470 /nfs/dbraw/zinc/86/74/70/495867470.db2.gz YXAZAVOVTWMTSI-DNVCBOLYSA-N 1 2 364.453 3.214 10 0 FGAELO C[C@@H](NC(=O)NC[C@H](O)C1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174215716 495868362 /nfs/dbraw/zinc/86/83/62/495868362.db2.gz RKRLJLYLUZWCSY-BEFAXECRSA-N 1 2 356.470 3.174 10 0 FGAELO CCc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@@H]3CCCO3)s2)cc1 ZINC000183185812 495871149 /nfs/dbraw/zinc/87/11/49/495871149.db2.gz ZVRXITUNPNSOFR-WFASDCNBSA-N 1 2 360.483 3.010 10 0 FGAELO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000180130209 495872095 /nfs/dbraw/zinc/87/20/95/495872095.db2.gz CZBIPQOHDGSHKO-QFBILLFUSA-N 1 2 369.371 3.099 10 0 FGAELO Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000174245488 495880497 /nfs/dbraw/zinc/88/04/97/495880497.db2.gz SZQRHFNRNWIMHI-QGZVFWFLSA-N 1 2 371.481 3.363 10 0 FGAELO C[C@@H](NC(=O)c1ccc(-c2ncn(C)n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180315028 495947586 /nfs/dbraw/zinc/94/75/86/495947586.db2.gz OAZWIDPDLCFGDR-OAHLLOKOSA-N 1 2 372.432 3.159 10 0 FGAELO Cc1cc(C)cc(NC(=O)[C@H](C)S(=O)(=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000171674606 495984501 /nfs/dbraw/zinc/98/45/01/495984501.db2.gz KXRWTSKWMSHHPH-HNNXBMFYSA-N 1 2 363.483 3.023 10 0 FGAELO Cc1cc(C)cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2[nH+]ccn2C(C)C)c1 ZINC000171674600 495984812 /nfs/dbraw/zinc/98/48/12/495984812.db2.gz KXRWTSKWMSHHPH-OAHLLOKOSA-N 1 2 363.483 3.023 10 0 FGAELO C[C@@H]1CN(Cc2csc(-c3ccccc3F)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000177234054 495988691 /nfs/dbraw/zinc/98/86/91/495988691.db2.gz BLCYVCDMJPLCLS-KDOFPFPSSA-N 1 2 361.486 3.102 10 0 FGAELO C[C@@H](NC(=O)NCc1ccc(CO)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174516733 495992133 /nfs/dbraw/zinc/99/21/33/495992133.db2.gz IZIMLFGODQSVQE-CQSZACIVSA-N 1 2 368.412 3.064 10 0 FGAELO O=C(N[C@H]1CCOc2c(Cl)cccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177443486 496063594 /nfs/dbraw/zinc/06/35/94/496063594.db2.gz LTGUYZRNAVPWOH-CJNGLKHVSA-N 1 2 360.845 3.234 10 0 FGAELO C[N@@H+]1CCO[C@@H](CNC(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000174747934 496088268 /nfs/dbraw/zinc/08/82/68/496088268.db2.gz PEKTUKRBIORDRB-KRWDZBQOSA-N 1 2 365.905 3.125 10 0 FGAELO C[N@H+]1CCO[C@@H](CNC(=O)N(Cc2ccccc2Cl)C2CCCC2)C1 ZINC000174747934 496088272 /nfs/dbraw/zinc/08/82/72/496088272.db2.gz PEKTUKRBIORDRB-KRWDZBQOSA-N 1 2 365.905 3.125 10 0 FGAELO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000180655360 496088385 /nfs/dbraw/zinc/08/83/85/496088385.db2.gz HWGGKMMAPOSNOU-WBMJQRKESA-N 1 2 373.722 3.255 10 0 FGAELO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(Br)c2)C[C@@H]1N1CCOCC1 ZINC000180655360 496088389 /nfs/dbraw/zinc/08/83/89/496088389.db2.gz HWGGKMMAPOSNOU-WBMJQRKESA-N 1 2 373.722 3.255 10 0 FGAELO Cc1noc([C@H](C)N2CC[NH+]([C@H](C)c3ncc(-c4ccccc4)o3)CC2)n1 ZINC000152271976 496101258 /nfs/dbraw/zinc/10/12/58/496101258.db2.gz LMUJNZFKRJSINC-CABCVRRESA-N 1 2 367.453 3.473 10 0 FGAELO CC[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)C1 ZINC000155992845 496128215 /nfs/dbraw/zinc/12/82/15/496128215.db2.gz IRBZYGCWJRGFEE-CVEARBPZSA-N 1 2 350.532 3.248 10 0 FGAELO O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177736936 496178778 /nfs/dbraw/zinc/17/87/78/496178778.db2.gz GWXCMANASDKELP-CQSZACIVSA-N 1 2 373.254 3.432 10 0 FGAELO O=C(Cc1csc(-c2cccc(F)c2)n1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177746147 496181111 /nfs/dbraw/zinc/18/11/11/496181111.db2.gz QSULCVNZECIRAA-QGZVFWFLSA-N 1 2 370.453 3.379 10 0 FGAELO C[C@H](NC(=O)NC[C@]1(C)CCCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000174959408 496183561 /nfs/dbraw/zinc/18/35/61/496183561.db2.gz VBTYEWBFSVUDFF-QSFXBCCZSA-N 1 2 356.470 3.174 10 0 FGAELO Cc1sc2[nH]c([C@H](C)[N@@H+]3CC[C@H](Oc4cccnc4)C3)nc(=O)c2c1C ZINC000152547885 496183915 /nfs/dbraw/zinc/18/39/15/496183915.db2.gz CQSBLGJSWFWSIV-WFASDCNBSA-N 1 2 370.478 3.211 10 0 FGAELO Cc1sc2[nH]c([C@H](C)[N@H+]3CC[C@H](Oc4cccnc4)C3)nc(=O)c2c1C ZINC000152547885 496183920 /nfs/dbraw/zinc/18/39/20/496183920.db2.gz CQSBLGJSWFWSIV-WFASDCNBSA-N 1 2 370.478 3.211 10 0 FGAELO CCCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1OCC ZINC000177767791 496187986 /nfs/dbraw/zinc/18/79/86/496187986.db2.gz OWEMSFRZQGBNNW-QGZVFWFLSA-N 1 2 357.454 3.375 10 0 FGAELO O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000177789116 496196634 /nfs/dbraw/zinc/19/66/34/496196634.db2.gz KWXUMWBCYZMKSP-MOPGFXCFSA-N 1 2 364.449 3.132 10 0 FGAELO C[C@H](CNC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000175005364 496203727 /nfs/dbraw/zinc/20/37/27/496203727.db2.gz SUQNTNKOORZPEN-KJWYOANISA-N 1 2 365.905 3.057 10 0 FGAELO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](C)CC2)[NH+]2CCOCC2)s1 ZINC000175012083 496207106 /nfs/dbraw/zinc/20/71/06/496207106.db2.gz SOEWEHMRNFVYKA-WBVHZDCISA-N 1 2 365.543 3.261 10 0 FGAELO CCCN(CCC)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000175042897 496223113 /nfs/dbraw/zinc/22/31/13/496223113.db2.gz FUIZKNMKILBPRS-HZPDHXFCSA-N 1 2 353.532 3.342 10 0 FGAELO CCCN(CCC)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000175042897 496223118 /nfs/dbraw/zinc/22/31/18/496223118.db2.gz FUIZKNMKILBPRS-HZPDHXFCSA-N 1 2 353.532 3.342 10 0 FGAELO CCn1cc[nH+]c1CSCc1nnnn1-c1ccc(C(F)(F)F)cc1 ZINC000175290955 496326318 /nfs/dbraw/zinc/32/63/18/496326318.db2.gz SISGALCLKVCOOY-UHFFFAOYSA-N 1 2 368.388 3.331 10 0 FGAELO Cc1ccc([C@H](CNC(=O)Nc2ncc(C)s2)[NH+]2CCOCC2)s1 ZINC000175358188 496354706 /nfs/dbraw/zinc/35/47/06/496354706.db2.gz PGUMCUIHQHHQBY-ZDUSSCGKSA-N 1 2 366.512 3.016 10 0 FGAELO Cc1cccc(CNC(=O)N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000178515264 496483460 /nfs/dbraw/zinc/48/34/60/496483460.db2.gz WEOLZMHJXYIAMQ-GOSISDBHSA-N 1 2 373.522 3.271 10 0 FGAELO C[C@@H]1CCC[C@@H](NC(=O)N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)C1 ZINC000178567412 496501070 /nfs/dbraw/zinc/50/10/70/496501070.db2.gz XFLBLVKASVTOQW-ZACQAIPSSA-N 1 2 365.543 3.342 10 0 FGAELO C[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000157715278 496537269 /nfs/dbraw/zinc/53/72/69/496537269.db2.gz MTTHMORJVDHZJQ-LLVKDONJSA-N 1 2 361.327 3.172 10 0 FGAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@H](C)Oc1ccccc1F)C2 ZINC000173257897 496614430 /nfs/dbraw/zinc/61/44/30/496614430.db2.gz PRNYGBPAKRCEQN-CQSZACIVSA-N 1 2 374.460 3.218 10 0 FGAELO Cc1cc(C)c2ncc(C(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c(O)c2c1 ZINC000164553971 496619192 /nfs/dbraw/zinc/61/91/92/496619192.db2.gz QWVPAPFIFXMRQU-OAHLLOKOSA-N 1 2 350.422 3.059 10 0 FGAELO CCc1ccc([C@H]2CCCCN2C(=O)NCC(C)(C)[NH+]2CCOCC2)o1 ZINC000173367176 496661070 /nfs/dbraw/zinc/66/10/70/496661070.db2.gz UGPHVHKDJWHYDC-QGZVFWFLSA-N 1 2 363.502 3.189 10 0 FGAELO Cc1cc(Cl)c(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1Cl ZINC000154035683 496662742 /nfs/dbraw/zinc/66/27/42/496662742.db2.gz YGNJGSPKGNIGMJ-LBPRGKRZSA-N 1 2 358.269 3.240 10 0 FGAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000167790008 496706208 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