smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)ccc1SC ZINC000159438561 326931540 /nfs/dbraw/zinc/93/15/40/326931540.db2.gz ZWEIFKRTIXKKJM-UHFFFAOYSA-N 1 2 373.478 2.063 20 70 FEIDLO Cc1ccccc1OCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159496934 326933470 /nfs/dbraw/zinc/93/34/70/326933470.db2.gz QPINUNXIFIZBCT-UHFFFAOYSA-N 1 2 354.454 2.296 20 70 FEIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000159849108 326944133 /nfs/dbraw/zinc/94/41/33/326944133.db2.gz MGNNOXLLLRVQMG-OAHLLOKOSA-N 1 2 370.457 2.105 20 70 FEIDLO C[C@@H](SCC[NH+]1CCOCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000160052282 326951732 /nfs/dbraw/zinc/95/17/32/326951732.db2.gz XZNWVOHMFSDZDC-CYBMUJFWSA-N 1 2 360.487 2.324 20 70 FEIDLO O=C(N[C@H](CCCO)c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160349602 326962301 /nfs/dbraw/zinc/96/23/01/326962301.db2.gz TWEKWVRRMVDJBQ-HXUWFJFHSA-N 1 2 368.481 2.423 20 70 FEIDLO CC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1c(C)nn(C)c1C ZINC000160460358 326966164 /nfs/dbraw/zinc/96/61/64/326966164.db2.gz JVQTUXZYXWUGQU-GOSISDBHSA-N 1 2 370.501 2.410 20 70 FEIDLO CCc1cccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159482140 545957606 /nfs/dbraw/zinc/95/76/06/545957606.db2.gz VLWFBIQIQKKLBB-UHFFFAOYSA-N 1 2 354.516 2.228 20 70 FEIDLO Cc1ccc2cc(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)ccc2n1 ZINC000159629333 545968379 /nfs/dbraw/zinc/96/83/79/545968379.db2.gz NWROTRWXNKTDHY-HXUWFJFHSA-N 1 2 371.506 2.481 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000159694362 545973717 /nfs/dbraw/zinc/97/37/17/545973717.db2.gz SFKPABXWIQATOT-MJGOQNOKSA-N 1 2 371.437 2.025 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000159694362 545973721 /nfs/dbraw/zinc/97/37/21/545973721.db2.gz SFKPABXWIQATOT-MJGOQNOKSA-N 1 2 371.437 2.025 20 70 FEIDLO COc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000159752741 545978041 /nfs/dbraw/zinc/97/80/41/545978041.db2.gz BNTQJMWTBWIDLZ-LBPRGKRZSA-N 1 2 362.380 2.158 20 70 FEIDLO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000159752741 545978048 /nfs/dbraw/zinc/97/80/48/545978048.db2.gz BNTQJMWTBWIDLZ-LBPRGKRZSA-N 1 2 362.380 2.158 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000159758696 545978613 /nfs/dbraw/zinc/97/86/13/545978613.db2.gz IPESAHIWLFTBLF-YCPHGPKFSA-N 1 2 374.485 2.106 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)cn1 ZINC000159889918 545989076 /nfs/dbraw/zinc/98/90/76/545989076.db2.gz NLTJUMQECQTVDM-MRXNPFEDSA-N 1 2 367.384 2.107 20 70 FEIDLO CC(C)[N@H+](CCc1nccs1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000159906911 545990593 /nfs/dbraw/zinc/99/05/93/545990593.db2.gz MLFYPLPLWBLYLQ-UHFFFAOYSA-N 1 2 364.496 2.418 20 70 FEIDLO CC(C)[N@@H+](CCc1nccs1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000159906911 545990596 /nfs/dbraw/zinc/99/05/96/545990596.db2.gz MLFYPLPLWBLYLQ-UHFFFAOYSA-N 1 2 364.496 2.418 20 70 FEIDLO O=C(NCCn1cccc1)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000160136463 546011805 /nfs/dbraw/zinc/01/18/05/546011805.db2.gz JICJGPGSGNOJBI-UHFFFAOYSA-N 1 2 350.378 2.430 20 70 FEIDLO Cc1ccc(-c2nc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)n[nH]2)o1 ZINC000160352334 546032586 /nfs/dbraw/zinc/03/25/86/546032586.db2.gz DOUFNEPHCNGISW-UHFFFAOYSA-N 1 2 367.409 2.458 20 70 FEIDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380396 546035028 /nfs/dbraw/zinc/03/50/28/546035028.db2.gz XLAOMEDSPPNROL-WBVHZDCISA-N 1 2 357.454 2.313 20 70 FEIDLO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380396 546035034 /nfs/dbraw/zinc/03/50/34/546035034.db2.gz XLAOMEDSPPNROL-WBVHZDCISA-N 1 2 357.454 2.313 20 70 FEIDLO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000160596620 546055284 /nfs/dbraw/zinc/05/52/84/546055284.db2.gz OWILUNDKHVQSMP-LSTHTHJFSA-N 1 2 370.493 2.420 20 70 FEIDLO C[C@H](C(=O)N1CCOC[C@@H]1[C@@H]1CCCCC1=O)[N@H+]1CCc2ccccc2C1 ZINC000160596620 546055285 /nfs/dbraw/zinc/05/52/85/546055285.db2.gz OWILUNDKHVQSMP-LSTHTHJFSA-N 1 2 370.493 2.420 20 70 FEIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705766 546064520 /nfs/dbraw/zinc/06/45/20/546064520.db2.gz BBFAWVJDYOVSST-OAUYIBNBSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705766 546064527 /nfs/dbraw/zinc/06/45/27/546064527.db2.gz BBFAWVJDYOVSST-OAUYIBNBSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705766 546064529 /nfs/dbraw/zinc/06/45/29/546064529.db2.gz BBFAWVJDYOVSST-OAUYIBNBSA-N 1 2 363.412 2.294 20 70 FEIDLO Cn1cnc(-c2ccc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)n1 ZINC000161215545 546110455 /nfs/dbraw/zinc/11/04/55/546110455.db2.gz TVCRVTOMNCKMHX-MRXNPFEDSA-N 1 2 363.425 2.278 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccn(-c2ccccc2F)n1 ZINC000161226774 546111631 /nfs/dbraw/zinc/11/16/31/546111631.db2.gz MYLRDMANEGXFHW-CQSZACIVSA-N 1 2 351.385 2.415 20 70 FEIDLO Cc1cnc([C@@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000161246363 546112429 /nfs/dbraw/zinc/11/24/29/546112429.db2.gz OPFFKOZQBUEKFD-AWEZNQCLSA-N 1 2 359.499 2.477 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccccc1Cl ZINC000159478988 326932854 /nfs/dbraw/zinc/93/28/54/326932854.db2.gz MWOWCLVOUCLENK-UHFFFAOYSA-N 1 2 360.907 2.319 20 70 FEIDLO CC(C)c1nc(NCCS(=O)(=O)c2ccc(F)cc2)nc(N(C)C)[nH+]1 ZINC000160658700 326972834 /nfs/dbraw/zinc/97/28/34/326972834.db2.gz FOWHVPKBQBRDPC-UHFFFAOYSA-N 1 2 367.450 2.086 20 70 FEIDLO O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160873813 326980245 /nfs/dbraw/zinc/98/02/45/326980245.db2.gz WGJOBUCSPTXPMX-XUVXKRRUSA-N 1 2 373.497 2.413 20 70 FEIDLO CCNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160945800 326982717 /nfs/dbraw/zinc/98/27/17/326982717.db2.gz BRFSCTVDPPXCIH-INIZCTEOSA-N 1 2 353.426 2.232 20 70 FEIDLO COc1ccccc1[C@@H](NC(=O)NOCc1cccnc1)c1[nH+]ccn1C ZINC000161033194 326985584 /nfs/dbraw/zinc/98/55/84/326985584.db2.gz XJZDNKCSHNZHKJ-QGZVFWFLSA-N 1 2 367.409 2.344 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000161459801 327000041 /nfs/dbraw/zinc/00/00/41/327000041.db2.gz DVIKFDMNEIZOQE-RDJZCZTQSA-N 1 2 369.469 2.168 20 70 FEIDLO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161476611 327000796 /nfs/dbraw/zinc/00/07/96/327000796.db2.gz JBGFBFKRRPAWTL-MLGOLLRUSA-N 1 2 374.403 2.335 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3)nn2)c1 ZINC000159414282 545950948 /nfs/dbraw/zinc/95/09/48/545950948.db2.gz PPUUHLPGQXVVMS-GOSISDBHSA-N 1 2 371.485 2.052 20 70 FEIDLO O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccccc1-n1cc[nH+]c1 ZINC000159585317 545965287 /nfs/dbraw/zinc/96/52/87/545965287.db2.gz XHKGZVMOWANVGZ-UHFFFAOYSA-N 1 2 358.405 2.447 20 70 FEIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159894979 545989749 /nfs/dbraw/zinc/98/97/49/545989749.db2.gz QMLGQVCHTLFEBY-CYBMUJFWSA-N 1 2 353.488 2.378 20 70 FEIDLO COc1cccc([C@@H]2CCCN2C(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159990657 545998143 /nfs/dbraw/zinc/99/81/43/545998143.db2.gz UQCYNWCXVYBFSX-SFHVURJKSA-N 1 2 364.511 2.424 20 70 FEIDLO CC(C)n1nccc1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160035275 546002435 /nfs/dbraw/zinc/00/24/35/546002435.db2.gz RJOZLVULOGBTJA-UHFFFAOYSA-N 1 2 352.442 2.070 20 70 FEIDLO Cc1nn(C)c(C)c1C[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000160099001 546007959 /nfs/dbraw/zinc/00/79/59/546007959.db2.gz OGLQGRFSDKVEBM-CQSZACIVSA-N 1 2 369.238 2.255 20 70 FEIDLO O=C(NCCc1ccc(F)cc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160170268 546013802 /nfs/dbraw/zinc/01/38/02/546013802.db2.gz XTOBZNNNDXDAMB-UHFFFAOYSA-N 1 2 360.408 2.430 20 70 FEIDLO C[C@@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCOCC1 ZINC000160166470 546013937 /nfs/dbraw/zinc/01/39/37/546013937.db2.gz VKSGSIXKTNUHLX-ZDUSSCGKSA-N 1 2 370.291 2.012 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@@H]3CCCCO3)nc(N)c21 ZINC000160667211 546061198 /nfs/dbraw/zinc/06/11/98/546061198.db2.gz ZYCHUDMJLSTTLW-LBPRGKRZSA-N 1 2 362.430 2.291 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)C[C@@H]3CCCCO3)nc(N)c21 ZINC000160667211 546061204 /nfs/dbraw/zinc/06/12/04/546061204.db2.gz ZYCHUDMJLSTTLW-LBPRGKRZSA-N 1 2 362.430 2.291 20 70 FEIDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCCC2=O)c1 ZINC000160744456 546068353 /nfs/dbraw/zinc/06/83/53/546068353.db2.gz YOBISHLWXNXGQV-GOEBONIOSA-N 1 2 352.438 2.450 20 70 FEIDLO Cc1nc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)sc1C ZINC000160756772 546069054 /nfs/dbraw/zinc/06/90/54/546069054.db2.gz XVHVCGBQZQTKHK-UHFFFAOYSA-N 1 2 359.499 2.225 20 70 FEIDLO CC[C@@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000160904718 546083297 /nfs/dbraw/zinc/08/32/97/546083297.db2.gz KFVGYRZMKKFDLP-LBPRGKRZSA-N 1 2 366.263 2.191 20 70 FEIDLO CC[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000160904718 546083300 /nfs/dbraw/zinc/08/33/00/546083300.db2.gz KFVGYRZMKKFDLP-LBPRGKRZSA-N 1 2 366.263 2.191 20 70 FEIDLO Cc1cccc2[nH]c(CNC(=O)N3CC[NH+](Cc4ccccn4)CC3)nc21 ZINC000161039679 546095065 /nfs/dbraw/zinc/09/50/65/546095065.db2.gz PRJAGNNGZBRDOD-UHFFFAOYSA-N 1 2 364.453 2.294 20 70 FEIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000161200454 546109390 /nfs/dbraw/zinc/10/93/90/546109390.db2.gz WYFAPVOODVMBPZ-GOEBONIOSA-N 1 2 369.531 2.218 20 70 FEIDLO O=C(COC[C@@H]1CCOC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161383339 546125525 /nfs/dbraw/zinc/12/55/25/546125525.db2.gz JFDRVQMGVNWKLI-OAHLLOKOSA-N 1 2 352.862 2.037 20 70 FEIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000159848977 326944107 /nfs/dbraw/zinc/94/41/07/326944107.db2.gz MGNNOXLLLRVQMG-HNNXBMFYSA-N 1 2 370.457 2.105 20 70 FEIDLO CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160370531 326963009 /nfs/dbraw/zinc/96/30/09/326963009.db2.gz IVMOLMPLIXQSBJ-NVXWUHKLSA-N 1 2 374.485 2.250 20 70 FEIDLO COC(=O)c1cc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)oc1C ZINC000160497451 326967814 /nfs/dbraw/zinc/96/78/14/326967814.db2.gz FQTXODWAFQQRRH-AWEZNQCLSA-N 1 2 372.425 2.238 20 70 FEIDLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC(N2CCCCC2=O)CC1 ZINC000160763284 326976629 /nfs/dbraw/zinc/97/66/29/326976629.db2.gz OJSZEANQGYPUSR-UHFFFAOYSA-N 1 2 355.442 2.021 20 70 FEIDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000160961633 326983227 /nfs/dbraw/zinc/98/32/27/326983227.db2.gz RKSDHZOAXGQWSX-SFHVURJKSA-N 1 2 354.454 2.208 20 70 FEIDLO Cc1ccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000160961777 326983696 /nfs/dbraw/zinc/98/36/96/326983696.db2.gz RKSDHZOAXGQWSX-GOSISDBHSA-N 1 2 354.454 2.208 20 70 FEIDLO COc1cc(OC)c(NC(=O)NCCn2cc[nH+]c2)cc1Br ZINC000161099135 326988182 /nfs/dbraw/zinc/98/81/82/326988182.db2.gz KJQSAKANRDIPEH-UHFFFAOYSA-N 1 2 369.219 2.485 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161117264 326988696 /nfs/dbraw/zinc/98/86/96/326988696.db2.gz RTCINDPFFHBWAW-HUUCEWRRSA-N 1 2 362.474 2.209 20 70 FEIDLO COc1ccc(C)cc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161144601 326989333 /nfs/dbraw/zinc/98/93/33/326989333.db2.gz RIKWTIAVSQEHEM-UHFFFAOYSA-N 1 2 354.454 2.155 20 70 FEIDLO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161362108 326997062 /nfs/dbraw/zinc/99/70/62/326997062.db2.gz ADAAOXGIKTXZGB-MRXNPFEDSA-N 1 2 362.367 2.419 20 70 FEIDLO CCCCSCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000159457581 545955403 /nfs/dbraw/zinc/95/54/03/545955403.db2.gz DVYBCPFGYICINA-QGZVFWFLSA-N 1 2 369.575 2.455 20 70 FEIDLO C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000159467846 545956578 /nfs/dbraw/zinc/95/65/78/545956578.db2.gz VQQHJVGVGDEHJW-UONOGXRCSA-N 1 2 370.856 2.035 20 70 FEIDLO C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000159467846 545956581 /nfs/dbraw/zinc/95/65/81/545956581.db2.gz VQQHJVGVGDEHJW-UONOGXRCSA-N 1 2 370.856 2.035 20 70 FEIDLO COc1ccc([C@H](NC(=O)N[C@@H]2CCC[C@@H]2OC)c2[nH+]ccn2C)cc1 ZINC000159537748 545961286 /nfs/dbraw/zinc/96/12/86/545961286.db2.gz HYKJCUMKVXLFJX-IKGGRYGDSA-N 1 2 358.442 2.385 20 70 FEIDLO C[N@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(CO)CO ZINC000159577290 545964654 /nfs/dbraw/zinc/96/46/54/545964654.db2.gz VIKCWUMKLOAIFZ-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO C[N@@H+](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(C)(CO)CO ZINC000159577290 545964656 /nfs/dbraw/zinc/96/46/56/545964656.db2.gz VIKCWUMKLOAIFZ-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2c(c1)ncn2C)c1cccc(F)c1 ZINC000159643377 545969559 /nfs/dbraw/zinc/96/95/59/545969559.db2.gz RDTLGHCZEWLZFA-INIZCTEOSA-N 1 2 364.384 2.360 20 70 FEIDLO CC(C)CC(=O)NCCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159650107 545970024 /nfs/dbraw/zinc/97/00/24/545970024.db2.gz UMONGGKXAHECAS-UHFFFAOYSA-N 1 2 356.470 2.143 20 70 FEIDLO Cc1cc(=O)n2nc(C[N@@H+]3CCO[C@]4(CCc5ccccc54)C3)sc2n1 ZINC000159651842 545970229 /nfs/dbraw/zinc/97/02/29/545970229.db2.gz DBUZKBGPMQQADD-LJQANCHMSA-N 1 2 368.462 2.133 20 70 FEIDLO Cc1cc(=O)n2nc(C[N@H+]3CCO[C@]4(CCc5ccccc54)C3)sc2n1 ZINC000159651842 545970233 /nfs/dbraw/zinc/97/02/33/545970233.db2.gz DBUZKBGPMQQADD-LJQANCHMSA-N 1 2 368.462 2.133 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159896027 545989698 /nfs/dbraw/zinc/98/96/98/545989698.db2.gz YHBLAEBARWXDEZ-JTQLQIEISA-N 1 2 367.375 2.311 20 70 FEIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCCc2nc(C3CC3)no2)CC1 ZINC000159912781 545991613 /nfs/dbraw/zinc/99/16/13/545991613.db2.gz CIZLDVPITMFHAX-UHFFFAOYSA-N 1 2 373.457 2.219 20 70 FEIDLO COc1ccc([C@H]2CCCN2C(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159945261 545993985 /nfs/dbraw/zinc/99/39/85/545993985.db2.gz ZDPPCWDVSGHNHL-GOSISDBHSA-N 1 2 364.511 2.424 20 70 FEIDLO COc1cc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000160005607 545999946 /nfs/dbraw/zinc/99/99/46/545999946.db2.gz XMWQIHGFDKUQFJ-CHWSQXEVSA-N 1 2 359.426 2.349 20 70 FEIDLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCCN(CC(F)(F)F)C1=O)C2 ZINC000160036291 546001878 /nfs/dbraw/zinc/00/18/78/546001878.db2.gz YNXUAZWORUUXKP-CQSZACIVSA-N 1 2 358.408 2.455 20 70 FEIDLO COc1ccc([C@H](NC(=O)N2CCC[C@](C)(O)C2)c2[nH+]ccn2C)cc1 ZINC000160054476 546003144 /nfs/dbraw/zinc/00/31/44/546003144.db2.gz IJINNMLXYZMGBJ-LPHOPBHVSA-N 1 2 358.442 2.075 20 70 FEIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)c1CC ZINC000160431672 546039646 /nfs/dbraw/zinc/03/96/46/546039646.db2.gz QNNZRBTVIMSBKP-OAHLLOKOSA-N 1 2 358.446 2.055 20 70 FEIDLO O=C(CCc1ccc(F)cc1F)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160631099 546058226 /nfs/dbraw/zinc/05/82/26/546058226.db2.gz YCGJYDOOYGTTNB-GOSISDBHSA-N 1 2 370.465 2.222 20 70 FEIDLO CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)C1 ZINC000160756690 546069471 /nfs/dbraw/zinc/06/94/71/546069471.db2.gz CZTFMJQKRHXMJJ-CQSZACIVSA-N 1 2 371.437 2.128 20 70 FEIDLO CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)C1 ZINC000160756690 546069475 /nfs/dbraw/zinc/06/94/75/546069475.db2.gz CZTFMJQKRHXMJJ-CQSZACIVSA-N 1 2 371.437 2.128 20 70 FEIDLO O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160798477 546073018 /nfs/dbraw/zinc/07/30/18/546073018.db2.gz VAHNKYLCVRMIGM-OAHLLOKOSA-N 1 2 361.833 2.031 20 70 FEIDLO CN(C)C(=O)Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160890575 546082332 /nfs/dbraw/zinc/08/23/32/546082332.db2.gz AVULALZHWIHVTB-QGZVFWFLSA-N 1 2 367.453 2.113 20 70 FEIDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000161052113 546096171 /nfs/dbraw/zinc/09/61/71/546096171.db2.gz XEHZCCIDOUQDHX-MRXNPFEDSA-N 1 2 354.458 2.152 20 70 FEIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000161261465 546115390 /nfs/dbraw/zinc/11/53/90/546115390.db2.gz BAOWJOJWNYGZIZ-QGZVFWFLSA-N 1 2 365.474 2.369 20 70 FEIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000161261465 546115391 /nfs/dbraw/zinc/11/53/91/546115391.db2.gz BAOWJOJWNYGZIZ-QGZVFWFLSA-N 1 2 365.474 2.369 20 70 FEIDLO CN(C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC000161282349 546116271 /nfs/dbraw/zinc/11/62/71/546116271.db2.gz KYZPVMIGHWXKQA-UHFFFAOYSA-N 1 2 364.442 2.438 20 70 FEIDLO C[NH+](C)[C@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000161291204 546117054 /nfs/dbraw/zinc/11/70/54/546117054.db2.gz XOGVTQYXXHHBMO-CQSZACIVSA-N 1 2 370.471 2.323 20 70 FEIDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000161294270 546118384 /nfs/dbraw/zinc/11/83/84/546118384.db2.gz SZBKGVPLXQIRTB-RCBQFDQVSA-N 1 2 355.429 2.370 20 70 FEIDLO O=C1[C@H]([N@H+](CCO)Cc2cccnc2)CCN1c1ccc(Cl)c(F)c1 ZINC000161354406 546122595 /nfs/dbraw/zinc/12/25/95/546122595.db2.gz UFBOEHSOSIONKL-QGZVFWFLSA-N 1 2 363.820 2.474 20 70 FEIDLO O=C1[C@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1ccc(Cl)c(F)c1 ZINC000161354406 546122597 /nfs/dbraw/zinc/12/25/97/546122597.db2.gz UFBOEHSOSIONKL-QGZVFWFLSA-N 1 2 363.820 2.474 20 70 FEIDLO Cc1cc(N[C@@H](C(=O)N2CCOCC2)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000159595659 326936150 /nfs/dbraw/zinc/93/61/50/326936150.db2.gz MLLFWMRHAGQELR-QGZVFWFLSA-N 1 2 355.442 2.142 20 70 FEIDLO C[C@@H](C(=O)Nc1cccnc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161223990 326992270 /nfs/dbraw/zinc/99/22/70/326992270.db2.gz BKLMEKQWFCIMCA-AWEZNQCLSA-N 1 2 359.861 2.275 20 70 FEIDLO COC(=O)CCN(Cc1cccc(F)c1F)c1[nH+]cnc2c1cnn2C ZINC000161346925 326996460 /nfs/dbraw/zinc/99/64/60/326996460.db2.gz AJHCIMZAGKMRJB-UHFFFAOYSA-N 1 2 361.352 2.211 20 70 FEIDLO CC(C)(C)[C@H](CCO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000161421344 326998987 /nfs/dbraw/zinc/99/89/87/326998987.db2.gz YSINFADUHPSEBT-SFHVURJKSA-N 1 2 363.502 2.115 20 70 FEIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N[C@H]1CCOc2ccccc21 ZINC000161464800 327000241 /nfs/dbraw/zinc/00/02/41/327000241.db2.gz XXSFXYXOGXMPKU-YOEHRIQHSA-N 1 2 372.387 2.262 20 70 FEIDLO CN(C)C(=O)c1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159451594 545955482 /nfs/dbraw/zinc/95/54/82/545955482.db2.gz LUOFPXLYIFXMFA-MSOLQXFVSA-N 1 2 358.438 2.306 20 70 FEIDLO CN(C)C(=O)c1cccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000159451594 545955486 /nfs/dbraw/zinc/95/54/86/545955486.db2.gz LUOFPXLYIFXMFA-MSOLQXFVSA-N 1 2 358.438 2.306 20 70 FEIDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CCNC(=O)C1 ZINC000159749611 545977338 /nfs/dbraw/zinc/97/73/38/545977338.db2.gz NWFMUSMZEJQYIO-AWEZNQCLSA-N 1 2 370.478 2.166 20 70 FEIDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CCNC(=O)C1 ZINC000159749611 545977341 /nfs/dbraw/zinc/97/73/41/545977341.db2.gz NWFMUSMZEJQYIO-AWEZNQCLSA-N 1 2 370.478 2.166 20 70 FEIDLO CCc1ccccc1Nc1nc(N)nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159764348 545978759 /nfs/dbraw/zinc/97/87/59/545978759.db2.gz IMGICHWZNYWJAY-HOCLYGCPSA-N 1 2 356.474 2.353 20 70 FEIDLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159764348 545978765 /nfs/dbraw/zinc/97/87/65/545978765.db2.gz IMGICHWZNYWJAY-HOCLYGCPSA-N 1 2 356.474 2.353 20 70 FEIDLO Cc1onc(-c2ccncc2)c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160090933 546006834 /nfs/dbraw/zinc/00/68/34/546006834.db2.gz QMLKOECJQWNXPT-UHFFFAOYSA-N 1 2 363.421 2.398 20 70 FEIDLO CCCCN(C)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160087347 546006970 /nfs/dbraw/zinc/00/69/70/546006970.db2.gz GJTRJBHENJTPKL-UHFFFAOYSA-N 1 2 374.529 2.159 20 70 FEIDLO CCCCN(C)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160087347 546006972 /nfs/dbraw/zinc/00/69/72/546006972.db2.gz GJTRJBHENJTPKL-UHFFFAOYSA-N 1 2 374.529 2.159 20 70 FEIDLO CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)c1ccsc1 ZINC000160215162 546018174 /nfs/dbraw/zinc/01/81/74/546018174.db2.gz LNEJMXSQJGZZGI-HUUCEWRRSA-N 1 2 373.544 2.007 20 70 FEIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000160750121 546068738 /nfs/dbraw/zinc/06/87/38/546068738.db2.gz JBSZYFQZGLTVBT-UHFFFAOYSA-N 1 2 352.500 2.048 20 70 FEIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000160750121 546068742 /nfs/dbraw/zinc/06/87/42/546068742.db2.gz JBSZYFQZGLTVBT-UHFFFAOYSA-N 1 2 352.500 2.048 20 70 FEIDLO COCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)cn1 ZINC000160749301 546069393 /nfs/dbraw/zinc/06/93/93/546069393.db2.gz AALNYHAOVNHGQW-UHFFFAOYSA-N 1 2 362.455 2.194 20 70 FEIDLO COCCCOc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)cn1 ZINC000160749301 546069397 /nfs/dbraw/zinc/06/93/97/546069397.db2.gz AALNYHAOVNHGQW-UHFFFAOYSA-N 1 2 362.455 2.194 20 70 FEIDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CNC(=O)c3cccnc3)n2)C1 ZINC000160834255 546076458 /nfs/dbraw/zinc/07/64/58/546076458.db2.gz VEUOJQUZODOSSW-CYBMUJFWSA-N 1 2 373.482 2.139 20 70 FEIDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CNC(=O)c3cccnc3)n2)C1 ZINC000160834255 546076462 /nfs/dbraw/zinc/07/64/62/546076462.db2.gz VEUOJQUZODOSSW-CYBMUJFWSA-N 1 2 373.482 2.139 20 70 FEIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000160944381 546086914 /nfs/dbraw/zinc/08/69/14/546086914.db2.gz DWAXTNUBQUQRLT-UHFFFAOYSA-N 1 2 363.849 2.275 20 70 FEIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000160944381 546086920 /nfs/dbraw/zinc/08/69/20/546086920.db2.gz DWAXTNUBQUQRLT-UHFFFAOYSA-N 1 2 363.849 2.275 20 70 FEIDLO O=C(Nc1cccc(C(=O)N2CCSCC2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161041638 546095478 /nfs/dbraw/zinc/09/54/78/546095478.db2.gz BEOARLUZVLXHFE-CQSZACIVSA-N 1 2 370.478 2.273 20 70 FEIDLO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218104366 548685285 /nfs/dbraw/zinc/68/52/85/548685285.db2.gz QBISQLJLJYYXIO-CYBMUJFWSA-N 1 2 367.858 2.301 20 70 FEIDLO CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000159377498 326929579 /nfs/dbraw/zinc/92/95/79/326929579.db2.gz PZURGCPXDCNHFG-KRWDZBQOSA-N 1 2 373.526 2.343 20 70 FEIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159555525 326935237 /nfs/dbraw/zinc/93/52/37/326935237.db2.gz GGIOGOBRLOSXAP-QGZVFWFLSA-N 1 2 363.845 2.323 20 70 FEIDLO Cn1c(=O)[nH]c2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc21 ZINC000159876763 326945490 /nfs/dbraw/zinc/94/54/90/326945490.db2.gz MMVRABZZSRCCBB-UHFFFAOYSA-N 1 2 351.341 2.444 20 70 FEIDLO C[C@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160046541 326951512 /nfs/dbraw/zinc/95/15/12/326951512.db2.gz YHQJOKDHZVELCZ-QKLQHJQFSA-N 1 2 357.498 2.319 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N(CC)CC)[nH+]c1 ZINC000160058996 326951984 /nfs/dbraw/zinc/95/19/84/326951984.db2.gz CCNSUEAXORYEOL-UHFFFAOYSA-N 1 2 359.430 2.042 20 70 FEIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(N(C)C(C)=O)CC3)c2c1 ZINC000160739714 326975463 /nfs/dbraw/zinc/97/54/63/326975463.db2.gz LSOVZAGVPUDIQF-UHFFFAOYSA-N 1 2 371.437 2.080 20 70 FEIDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160971015 326983896 /nfs/dbraw/zinc/98/38/96/326983896.db2.gz GIXCXWPEIKRAHW-LJQANCHMSA-N 1 2 354.454 2.004 20 70 FEIDLO CCNC(=O)CCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161471954 327000412 /nfs/dbraw/zinc/00/04/12/327000412.db2.gz XMVWKKCPWXAUHT-UHFFFAOYSA-N 1 2 351.878 2.291 20 70 FEIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCCc1ccc(F)cc1 ZINC000161495141 327000988 /nfs/dbraw/zinc/00/09/88/327000988.db2.gz OSXOOXBLVYXYAX-MRXNPFEDSA-N 1 2 362.367 2.120 20 70 FEIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000159474533 545955924 /nfs/dbraw/zinc/95/59/24/545955924.db2.gz WRQWJNMIOOKUIM-BBWFWOEESA-N 1 2 363.477 2.140 20 70 FEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000159783368 545979663 /nfs/dbraw/zinc/97/96/63/545979663.db2.gz YQABVLFNJHYXIU-OAHLLOKOSA-N 1 2 361.511 2.281 20 70 FEIDLO Cc1ccc(CNC(=O)c2nnc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)s2)cc1 ZINC000159825045 545983848 /nfs/dbraw/zinc/98/38/48/545983848.db2.gz NNNJSOMSIVBXND-CVEARBPZSA-N 1 2 374.510 2.369 20 70 FEIDLO Cc1ccc(CNC(=O)c2nnc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)s2)cc1 ZINC000159825045 545983852 /nfs/dbraw/zinc/98/38/52/545983852.db2.gz NNNJSOMSIVBXND-CVEARBPZSA-N 1 2 374.510 2.369 20 70 FEIDLO CC(C)(C(N)=O)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000160008662 545999446 /nfs/dbraw/zinc/99/94/46/545999446.db2.gz NRRVONHENANRCA-UHFFFAOYSA-N 1 2 367.453 2.199 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(C)[nH+]1 ZINC000160319676 546029626 /nfs/dbraw/zinc/02/96/26/546029626.db2.gz SSVQCFZMMACWFC-CQSZACIVSA-N 1 2 368.441 2.039 20 70 FEIDLO C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CCOCC1 ZINC000160394156 546036228 /nfs/dbraw/zinc/03/62/28/546036228.db2.gz RDLICJTYTAYPNC-HOCLYGCPSA-N 1 2 352.500 2.300 20 70 FEIDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCOC2=O)c1 ZINC000160746186 546067965 /nfs/dbraw/zinc/06/79/65/546067965.db2.gz UJFICTHSJKQSRH-UKRRQHHQSA-N 1 2 354.410 2.280 20 70 FEIDLO CCC1(CNC(=O)NCC[NH+]2CCN(C(=O)C3CCC3)CC2)CCCC1 ZINC000161144164 546104189 /nfs/dbraw/zinc/10/41/89/546104189.db2.gz NVXZVWPGYPHENU-UHFFFAOYSA-N 1 2 364.534 2.200 20 70 FEIDLO CCc1cc(N[C@@H]2CCc3nc(COC)nn3C2)nc(-c2ccncc2)[nH+]1 ZINC000161359676 546123397 /nfs/dbraw/zinc/12/33/97/546123397.db2.gz FHEXQNWPIMCAEM-OAHLLOKOSA-N 1 2 365.441 2.266 20 70 FEIDLO COc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(OC)c1OC ZINC000218096976 548684914 /nfs/dbraw/zinc/68/49/14/548684914.db2.gz SNSQRRIOSIDTRX-CYBMUJFWSA-N 1 2 357.410 2.116 20 70 FEIDLO O=C(NCCc1cc(F)cc(F)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159864766 326944535 /nfs/dbraw/zinc/94/45/35/326944535.db2.gz JSVNUNPFPOUBIB-UHFFFAOYSA-N 1 2 360.408 2.430 20 70 FEIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccn(CC(F)(F)F)n1 ZINC000160465318 326966503 /nfs/dbraw/zinc/96/65/03/326966503.db2.gz ORHXZNNEUFUNMH-UHFFFAOYSA-N 1 2 365.319 2.348 20 70 FEIDLO COc1ccccc1[C@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161235994 326992670 /nfs/dbraw/zinc/99/26/70/326992670.db2.gz INPUHSJJWPSBSA-KRWDZBQOSA-N 1 2 368.481 2.085 20 70 FEIDLO COc1cccc(NC(=O)[C@@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccccc2)c1 ZINC000161273533 326994099 /nfs/dbraw/zinc/99/40/99/326994099.db2.gz VBXIKIVXBQKVEY-MSOLQXFVSA-N 1 2 353.422 2.195 20 70 FEIDLO O=C(COC[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161391393 326998055 /nfs/dbraw/zinc/99/80/55/326998055.db2.gz WXMUFCQNSNBCIS-MRXNPFEDSA-N 1 2 352.862 2.180 20 70 FEIDLO CC(C)(C)[C@H](CCO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161505457 327001163 /nfs/dbraw/zinc/00/11/63/327001163.db2.gz XINAKFIWDHUIGJ-MSOLQXFVSA-N 1 2 363.502 2.156 20 70 FEIDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000159362108 545946410 /nfs/dbraw/zinc/94/64/10/545946410.db2.gz FUYFNKJFWCXLPS-AOMKIAJQSA-N 1 2 369.509 2.092 20 70 FEIDLO Cn1ccc(N2CCC[C@@H]([N@@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n1 ZINC000159491116 545958583 /nfs/dbraw/zinc/95/85/83/545958583.db2.gz JMEVKKLCOIVVKZ-WIYYLYMNSA-N 1 2 366.465 2.089 20 70 FEIDLO Cn1ccc(N2CCC[C@@H]([N@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n1 ZINC000159491116 545958585 /nfs/dbraw/zinc/95/85/85/545958585.db2.gz JMEVKKLCOIVVKZ-WIYYLYMNSA-N 1 2 366.465 2.089 20 70 FEIDLO C/C(=C/c1ccccc1)C[NH+]1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000159888897 545989622 /nfs/dbraw/zinc/98/96/22/545989622.db2.gz QLYSXNKUBIWFKG-VKAVYKQESA-N 1 2 357.479 2.491 20 70 FEIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159982753 545996862 /nfs/dbraw/zinc/99/68/62/545996862.db2.gz RAOALDHSNQLUFE-BEFAXECRSA-N 1 2 361.461 2.069 20 70 FEIDLO CC(C)c1ccc(OCCNC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159991919 545998641 /nfs/dbraw/zinc/99/86/41/545998641.db2.gz BTNLZRVHMIQQTL-UHFFFAOYSA-N 1 2 366.527 2.370 20 70 FEIDLO CC[N@H+](Cc1cn(C)nc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160225604 546019520 /nfs/dbraw/zinc/01/95/20/546019520.db2.gz ILCUJUZHDFHPAO-UHFFFAOYSA-N 1 2 371.441 2.004 20 70 FEIDLO CC[N@@H+](Cc1cn(C)nc1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160225604 546019526 /nfs/dbraw/zinc/01/95/26/546019526.db2.gz ILCUJUZHDFHPAO-UHFFFAOYSA-N 1 2 371.441 2.004 20 70 FEIDLO CC[C@H](O)CCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000160901711 546083352 /nfs/dbraw/zinc/08/33/52/546083352.db2.gz LQQJOQMHJDAMCP-INIZCTEOSA-N 1 2 357.454 2.434 20 70 FEIDLO O=C1[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CCCN1CC(F)(F)F ZINC000161025517 546093200 /nfs/dbraw/zinc/09/32/00/546093200.db2.gz USEAONYSSVONGQ-OAHLLOKOSA-N 1 2 357.376 2.068 20 70 FEIDLO Cc1c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cccc1C(F)(F)F ZINC000161023492 546093311 /nfs/dbraw/zinc/09/33/11/546093311.db2.gz RGYWZCPESHYJHK-UHFFFAOYSA-N 1 2 354.332 2.355 20 70 FEIDLO Cc1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1C(N)=O ZINC000161023651 546093675 /nfs/dbraw/zinc/09/36/75/546093675.db2.gz HBECJVIICACOEG-OAHLLOKOSA-N 1 2 353.426 2.279 20 70 FEIDLO Cc1cc(NCCNS(=O)(=O)c2cccnc2)c2cccc(F)c2[nH+]1 ZINC000161225423 546112136 /nfs/dbraw/zinc/11/21/36/546112136.db2.gz YXGONNBQFXWFSH-UHFFFAOYSA-N 1 2 360.414 2.468 20 70 FEIDLO O=C(C[NH+]1CCC(NC(=O)c2cccc(F)n2)CC1)Nc1ccccc1 ZINC000161241534 546113036 /nfs/dbraw/zinc/11/30/36/546113036.db2.gz AMCMXLNXDBRMKC-UHFFFAOYSA-N 1 2 356.401 2.054 20 70 FEIDLO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC2 ZINC000161440029 546129791 /nfs/dbraw/zinc/12/97/91/546129791.db2.gz JMNKRNSGMVWBOR-UONOGXRCSA-N 1 2 357.462 2.376 20 70 FEIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000161448368 546130552 /nfs/dbraw/zinc/13/05/52/546130552.db2.gz SNYBZWKBQCJCHH-YUELXQCFSA-N 1 2 353.260 2.476 20 70 FEIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000161448368 546130556 /nfs/dbraw/zinc/13/05/56/546130556.db2.gz SNYBZWKBQCJCHH-YUELXQCFSA-N 1 2 353.260 2.476 20 70 FEIDLO Cc1cc(NC(=O)CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)n(C)n1 ZINC000159478898 326932886 /nfs/dbraw/zinc/93/28/86/326932886.db2.gz LBNTZYQDGODVIQ-OAHLLOKOSA-N 1 2 359.449 2.185 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC1=CCCCC1 ZINC000159747391 326940648 /nfs/dbraw/zinc/94/06/48/326940648.db2.gz UKRCCXJKDAOLDI-UHFFFAOYSA-N 1 2 372.469 2.172 20 70 FEIDLO CCOC(=O)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159758636 326941182 /nfs/dbraw/zinc/94/11/82/326941182.db2.gz HDYQYVJNUOPCGF-UHFFFAOYSA-N 1 2 370.453 2.136 20 70 FEIDLO CC(C)Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160368631 326963004 /nfs/dbraw/zinc/96/30/04/326963004.db2.gz ZHOILHQEDCABEX-INIZCTEOSA-N 1 2 354.516 2.132 20 70 FEIDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000160583286 326970290 /nfs/dbraw/zinc/97/02/90/326970290.db2.gz MQWYNLSJOFERQN-MSOLQXFVSA-N 1 2 353.422 2.473 20 70 FEIDLO Cc1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1C(N)=O ZINC000161023778 326985420 /nfs/dbraw/zinc/98/54/20/326985420.db2.gz HBECJVIICACOEG-HNNXBMFYSA-N 1 2 353.426 2.279 20 70 FEIDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161385532 326997921 /nfs/dbraw/zinc/99/79/21/326997921.db2.gz PBKZFCLWAPEXEP-LBPRGKRZSA-N 1 2 364.330 2.421 20 70 FEIDLO CC(C)[C@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161462256 327000153 /nfs/dbraw/zinc/00/01/53/327000153.db2.gz WMYVDWMTVMOTDA-GJZGRUSLSA-N 1 2 353.488 2.081 20 70 FEIDLO O[C@H](COCc1cccs1)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159444158 545953892 /nfs/dbraw/zinc/95/38/92/545953892.db2.gz FNESPQYTNHSPAV-VYDXJSESSA-N 1 2 367.467 2.043 20 70 FEIDLO O[C@H](COCc1cccs1)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159444158 545953898 /nfs/dbraw/zinc/95/38/98/545953898.db2.gz FNESPQYTNHSPAV-VYDXJSESSA-N 1 2 367.467 2.043 20 70 FEIDLO C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000159467712 545956303 /nfs/dbraw/zinc/95/63/03/545956303.db2.gz VQQHJVGVGDEHJW-ZIAGYGMSSA-N 1 2 370.856 2.035 20 70 FEIDLO C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000159467712 545956305 /nfs/dbraw/zinc/95/63/05/545956305.db2.gz VQQHJVGVGDEHJW-ZIAGYGMSSA-N 1 2 370.856 2.035 20 70 FEIDLO Cc1cc(=O)n2nc(C[N@@H+]3CCO[C@@]4(CCc5ccccc54)C3)sc2n1 ZINC000159651982 545970366 /nfs/dbraw/zinc/97/03/66/545970366.db2.gz DBUZKBGPMQQADD-IBGZPJMESA-N 1 2 368.462 2.133 20 70 FEIDLO Cc1cc(=O)n2nc(C[N@H+]3CCO[C@@]4(CCc5ccccc54)C3)sc2n1 ZINC000159651982 545970367 /nfs/dbraw/zinc/97/03/67/545970367.db2.gz DBUZKBGPMQQADD-IBGZPJMESA-N 1 2 368.462 2.133 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000159781869 545979295 /nfs/dbraw/zinc/97/92/95/545979295.db2.gz TUCXVTUGFWSKDS-HNNXBMFYSA-N 1 2 374.407 2.107 20 70 FEIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000159797974 545981942 /nfs/dbraw/zinc/98/19/42/545981942.db2.gz WTIUQBIRIYGCOO-WMLDXEAASA-N 1 2 367.877 2.223 20 70 FEIDLO Cc1c(Cl)cc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000159910744 545991758 /nfs/dbraw/zinc/99/17/58/545991758.db2.gz IBFDHVVZDMUXHN-UHFFFAOYSA-N 1 2 367.298 2.302 20 70 FEIDLO Cc1ccccc1Nc1nc(N)nc(CSCC[NH+]2CCOCC2)n1 ZINC000160007167 545999023 /nfs/dbraw/zinc/99/90/23/545999023.db2.gz UMIALRDMOLFLGZ-UHFFFAOYSA-N 1 2 360.487 2.071 20 70 FEIDLO C[C@@H](O)C1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000160117307 546009439 /nfs/dbraw/zinc/00/94/39/546009439.db2.gz ZHRYUFOMIKQHGQ-WBMJQRKESA-N 1 2 355.429 2.370 20 70 FEIDLO CC1(C)CCC(CNC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000160293356 546026748 /nfs/dbraw/zinc/02/67/48/546026748.db2.gz ZBKDMDYDYHPNBI-UHFFFAOYSA-N 1 2 374.533 2.114 20 70 FEIDLO CSc1nc2ncnc(N3CCC[C@H]3C[NH+]3CCOCC3)c2s1 ZINC000160391642 546036119 /nfs/dbraw/zinc/03/61/19/546036119.db2.gz IGIDENSXBKJJFW-NSHDSACASA-N 1 2 351.501 2.109 20 70 FEIDLO COc1ccc(SCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160432058 546041211 /nfs/dbraw/zinc/04/12/11/546041211.db2.gz ZQPPPIKPVLLFSC-INIZCTEOSA-N 1 2 350.484 2.157 20 70 FEIDLO COc1ccc(SCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160432058 546041216 /nfs/dbraw/zinc/04/12/16/546041216.db2.gz ZQPPPIKPVLLFSC-INIZCTEOSA-N 1 2 350.484 2.157 20 70 FEIDLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1cccc(OC(F)(F)F)c1 ZINC000160642742 546059499 /nfs/dbraw/zinc/05/94/99/546059499.db2.gz AOIKDADRFPBKTQ-AWEZNQCLSA-N 1 2 372.343 2.139 20 70 FEIDLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1cccc(OC(F)(F)F)c1 ZINC000160642742 546059506 /nfs/dbraw/zinc/05/95/06/546059506.db2.gz AOIKDADRFPBKTQ-AWEZNQCLSA-N 1 2 372.343 2.139 20 70 FEIDLO COC(C[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1)OC ZINC000161090581 546099327 /nfs/dbraw/zinc/09/93/27/546099327.db2.gz IERJGZYUGOGEJK-GFCCVEGCSA-N 1 2 352.460 2.096 20 70 FEIDLO COc1ccccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161187998 546108222 /nfs/dbraw/zinc/10/82/22/546108222.db2.gz XIVBWRXPAGLQHR-MRXNPFEDSA-N 1 2 354.454 2.235 20 70 FEIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000161261342 546113895 /nfs/dbraw/zinc/11/38/95/546113895.db2.gz BAOWJOJWNYGZIZ-KRWDZBQOSA-N 1 2 365.474 2.369 20 70 FEIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c(C)nn(CC(=O)OC(C)C)c1C ZINC000161261342 546113899 /nfs/dbraw/zinc/11/38/99/546113899.db2.gz BAOWJOJWNYGZIZ-KRWDZBQOSA-N 1 2 365.474 2.369 20 70 FEIDLO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161371976 546124230 /nfs/dbraw/zinc/12/42/30/546124230.db2.gz UGUAWXAPDXKSMS-KRWDZBQOSA-N 1 2 354.454 2.196 20 70 FEIDLO CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCC[NH+]1CCOCC1 ZINC000160011173 326950354 /nfs/dbraw/zinc/95/03/54/326950354.db2.gz AZIZUKZEZJYSNX-UHFFFAOYSA-N 1 2 374.453 2.312 20 70 FEIDLO CCc1ccccc1Nc1nc(N)nc(CSCC[NH+]2CCOCC2)n1 ZINC000160006622 326950367 /nfs/dbraw/zinc/95/03/67/326950367.db2.gz AUXQXEWBIBNVEP-UHFFFAOYSA-N 1 2 374.514 2.325 20 70 FEIDLO COCCC1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CCC1 ZINC000160168468 326955728 /nfs/dbraw/zinc/95/57/28/326955728.db2.gz WUJQRRASAJRXTH-UHFFFAOYSA-N 1 2 356.470 2.185 20 70 FEIDLO CN(CCC(=O)OC(C)(C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000160175077 326956131 /nfs/dbraw/zinc/95/61/31/326956131.db2.gz PIBQVJLXFIPVDI-UHFFFAOYSA-N 1 2 359.430 2.141 20 70 FEIDLO Cc1cc(N2CCN(CCCS(=O)(=O)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000160595711 326970687 /nfs/dbraw/zinc/97/06/87/326970687.db2.gz FSHZJPRIONQEGU-UHFFFAOYSA-N 1 2 368.547 2.244 20 70 FEIDLO CCCn1cc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cn1 ZINC000160610204 326971237 /nfs/dbraw/zinc/97/12/37/326971237.db2.gz NAYQRJGZNNNKSF-UHFFFAOYSA-N 1 2 360.433 2.155 20 70 FEIDLO O=C(Nc1ccc(N2CCCC2)nc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160753725 326976165 /nfs/dbraw/zinc/97/61/65/326976165.db2.gz FDYJVWXVHQATLC-INIZCTEOSA-N 1 2 352.442 2.477 20 70 FEIDLO O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000161142757 326989397 /nfs/dbraw/zinc/98/93/97/326989397.db2.gz BYHCRCREMOEOKR-BLLLJJGKSA-N 1 2 353.344 2.012 20 70 FEIDLO Cc1sc2nc(CN3CC[NH+](Cc4ccncc4)CC3)[nH]c(=O)c2c1C ZINC000161164490 326990237 /nfs/dbraw/zinc/99/02/37/326990237.db2.gz XLUSXJCRWSZSSS-UHFFFAOYSA-N 1 2 369.494 2.314 20 70 FEIDLO CC1(C)C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000161212145 326991984 /nfs/dbraw/zinc/99/19/84/326991984.db2.gz PUHCFPGDWUZUPF-SFHVURJKSA-N 1 2 361.486 2.276 20 70 FEIDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161276173 326994186 /nfs/dbraw/zinc/99/41/86/326994186.db2.gz KGUPNTIUUDIEBX-XHDPSFHLSA-N 1 2 362.367 2.466 20 70 FEIDLO CSc1cc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000161478876 327000750 /nfs/dbraw/zinc/00/07/50/327000750.db2.gz YDQAZGPXCUIMSM-KRWDZBQOSA-N 1 2 370.515 2.485 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000160044680 517446313 /nfs/dbraw/zinc/44/63/13/517446313.db2.gz NCPOFNPXZINTQJ-OAHLLOKOSA-N 1 2 350.463 2.116 20 70 FEIDLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)c1 ZINC000159482787 545957781 /nfs/dbraw/zinc/95/77/81/545957781.db2.gz BZZLSWKCJPUTOM-UHFFFAOYSA-N 1 2 354.516 2.282 20 70 FEIDLO Cc1cc(C(=O)C[N@@H+](C)CC(C)(CO)CO)c(C)n1CCc1ccccc1 ZINC000159570791 545963305 /nfs/dbraw/zinc/96/33/05/545963305.db2.gz HYZUMCJSLLAXQX-UHFFFAOYSA-N 1 2 372.509 2.453 20 70 FEIDLO Cc1cc(C(=O)C[N@H+](C)CC(C)(CO)CO)c(C)n1CCc1ccccc1 ZINC000159570791 545963309 /nfs/dbraw/zinc/96/33/09/545963309.db2.gz HYZUMCJSLLAXQX-UHFFFAOYSA-N 1 2 372.509 2.453 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000159758548 545978899 /nfs/dbraw/zinc/97/88/99/545978899.db2.gz IPESAHIWLFTBLF-IJEWVQPXSA-N 1 2 374.485 2.106 20 70 FEIDLO COc1ccc(C[N@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000159867052 545987281 /nfs/dbraw/zinc/98/72/81/545987281.db2.gz CWDANDFJTIABMT-GOSISDBHSA-N 1 2 363.483 2.057 20 70 FEIDLO COc1ccc(C[N@@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000159867052 545987285 /nfs/dbraw/zinc/98/72/85/545987285.db2.gz CWDANDFJTIABMT-GOSISDBHSA-N 1 2 363.483 2.057 20 70 FEIDLO C[C@@H]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@H]1n1cc[nH+]c1 ZINC000159911181 545991789 /nfs/dbraw/zinc/99/17/89/545991789.db2.gz IKCQUEMEDCMUNL-OWCLPIDISA-N 1 2 358.446 2.231 20 70 FEIDLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000159978833 545997104 /nfs/dbraw/zinc/99/71/04/545997104.db2.gz NOYPITIVUMDHND-IBGZPJMESA-N 1 2 354.454 2.297 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000160041132 546003246 /nfs/dbraw/zinc/00/32/46/546003246.db2.gz HQJXZILSYDIOMB-UHFFFAOYSA-N 1 2 361.789 2.101 20 70 FEIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000160061654 546004675 /nfs/dbraw/zinc/00/46/75/546004675.db2.gz HAJVTAACVARDAU-HNNXBMFYSA-N 1 2 351.516 2.254 20 70 FEIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)c2cccs2)CC1 ZINC000160061654 546004676 /nfs/dbraw/zinc/00/46/76/546004676.db2.gz HAJVTAACVARDAU-HNNXBMFYSA-N 1 2 351.516 2.254 20 70 FEIDLO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCCN(CC(F)F)CC1 ZINC000160123739 546009114 /nfs/dbraw/zinc/00/91/14/546009114.db2.gz ZSBWMDRFSGHNPG-UHFFFAOYSA-N 1 2 371.819 2.470 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000160367499 546034076 /nfs/dbraw/zinc/03/40/76/546034076.db2.gz YNOXAAJBFNRIEG-SECBINFHSA-N 1 2 373.327 2.302 20 70 FEIDLO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380580 546035561 /nfs/dbraw/zinc/03/55/61/546035561.db2.gz XLAOMEDSPPNROL-RDJZCZTQSA-N 1 2 357.454 2.313 20 70 FEIDLO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380580 546035563 /nfs/dbraw/zinc/03/55/63/546035563.db2.gz XLAOMEDSPPNROL-RDJZCZTQSA-N 1 2 357.454 2.313 20 70 FEIDLO O=C(NCc1ccc(N2CCCCC2=O)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160383881 546035645 /nfs/dbraw/zinc/03/56/45/546035645.db2.gz CHLPEGXLSRAYMC-INIZCTEOSA-N 1 2 352.438 2.279 20 70 FEIDLO CCc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)n(C)n1 ZINC000160743016 546067741 /nfs/dbraw/zinc/06/77/41/546067741.db2.gz HEYFNFHRCZXYET-MSOLQXFVSA-N 1 2 369.469 2.100 20 70 FEIDLO CCc1cc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)n(C)n1 ZINC000160743016 546067745 /nfs/dbraw/zinc/06/77/45/546067745.db2.gz HEYFNFHRCZXYET-MSOLQXFVSA-N 1 2 369.469 2.100 20 70 FEIDLO CC(C)S(=O)(=O)CCC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000160753627 546069249 /nfs/dbraw/zinc/06/92/49/546069249.db2.gz HKDCJYRJPYCSRY-UHFFFAOYSA-N 1 2 370.490 2.187 20 70 FEIDLO CC(C)S(=O)(=O)CCC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000160753627 546069256 /nfs/dbraw/zinc/06/92/56/546069256.db2.gz HKDCJYRJPYCSRY-UHFFFAOYSA-N 1 2 370.490 2.187 20 70 FEIDLO Cc1onc(-c2ccccn2)c1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000160846842 546078116 /nfs/dbraw/zinc/07/81/16/546078116.db2.gz GFGVQWUIWAKITN-GFCCVEGCSA-N 1 2 371.466 2.294 20 70 FEIDLO Cc1[nH+]cc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)n1-c1ccccc1 ZINC000161000845 546091832 /nfs/dbraw/zinc/09/18/32/546091832.db2.gz AECINXWAQMFKFP-LJQANCHMSA-N 1 2 354.454 2.004 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000161028317 546093612 /nfs/dbraw/zinc/09/36/12/546093612.db2.gz BTVAVGMRIMZBCY-GOSISDBHSA-N 1 2 368.437 2.092 20 70 FEIDLO CCOc1c(OC)cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000161042914 546095217 /nfs/dbraw/zinc/09/52/17/546095217.db2.gz CVRBWNRIXREMIC-AWEZNQCLSA-N 1 2 359.426 2.178 20 70 FEIDLO CCCCCCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161060540 546097246 /nfs/dbraw/zinc/09/72/46/546097246.db2.gz WLMQZXHOFHHBKS-IRXDYDNUSA-N 1 2 360.502 2.381 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000161296203 546118474 /nfs/dbraw/zinc/11/84/74/546118474.db2.gz OVWWVOKHABUVKR-GOEBONIOSA-N 1 2 374.485 2.108 20 70 FEIDLO Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nnn1-c1ccc(C)cc1 ZINC000161388929 546125471 /nfs/dbraw/zinc/12/54/71/546125471.db2.gz YURSFUBCPDQDFO-MRXNPFEDSA-N 1 2 362.437 2.288 20 70 FEIDLO Cc1cc(N2CCN(C(=O)NCCc3cscn3)CC2)nc(C(C)C)[nH+]1 ZINC000159378043 326929433 /nfs/dbraw/zinc/92/94/33/326929433.db2.gz XKAUSCCZZUABMK-UHFFFAOYSA-N 1 2 374.514 2.439 20 70 FEIDLO C[C@@H](CS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000159430685 326931503 /nfs/dbraw/zinc/93/15/03/326931503.db2.gz PYDNLDZKYXBZIB-KRWDZBQOSA-N 1 2 368.543 2.410 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1ccc(OC(F)F)cc1 ZINC000159831061 326943638 /nfs/dbraw/zinc/94/36/38/326943638.db2.gz KMCWCXLZWBLCKN-UHFFFAOYSA-N 1 2 374.453 2.012 20 70 FEIDLO Cc1nc(CC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(C)s1 ZINC000160034274 326951199 /nfs/dbraw/zinc/95/11/99/326951199.db2.gz FLPWKVRESJLGJO-UHFFFAOYSA-N 1 2 369.494 2.295 20 70 FEIDLO COc1ccc([C@H](NC(=O)N2CCC[C@@](C)(O)C2)c2[nH+]ccn2C)cc1 ZINC000160054610 326951657 /nfs/dbraw/zinc/95/16/57/326951657.db2.gz IJINNMLXYZMGBJ-QFBILLFUSA-N 1 2 358.442 2.075 20 70 FEIDLO Cn1cnc(-c2ccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)n1 ZINC000160592778 326970785 /nfs/dbraw/zinc/97/07/85/326970785.db2.gz QWEPQRYHRZLSAW-UHFFFAOYSA-N 1 2 365.441 2.379 20 70 FEIDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCS(=O)(=O)[C@H](C)C1 ZINC000160721818 326975055 /nfs/dbraw/zinc/97/50/55/326975055.db2.gz XHGYYFCKIAKWKV-CYBMUJFWSA-N 1 2 362.451 2.343 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)n1 ZINC000160845953 326979399 /nfs/dbraw/zinc/97/93/99/326979399.db2.gz VBONHXPXMWVWQV-UHFFFAOYSA-N 1 2 354.454 2.447 20 70 FEIDLO O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160958292 326983257 /nfs/dbraw/zinc/98/32/57/326983257.db2.gz CQLSMUAJSFTMNQ-QYZOEREBSA-N 1 2 370.497 2.257 20 70 FEIDLO CC(C)C[C@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000160994924 326984349 /nfs/dbraw/zinc/98/43/49/326984349.db2.gz WQRVQJVHDNBTPV-QGZVFWFLSA-N 1 2 358.442 2.049 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000161034582 326985924 /nfs/dbraw/zinc/98/59/24/326985924.db2.gz GEGPJYAIYASJBM-LJQANCHMSA-N 1 2 361.461 2.249 20 70 FEIDLO Cc1cccc(OCCNC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161368906 326997317 /nfs/dbraw/zinc/99/73/17/326997317.db2.gz ONSWBHJMEDJNFI-KRWDZBQOSA-N 1 2 374.403 2.125 20 70 FEIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N[C@@H]1CCOc2ccccc21 ZINC000161464918 327000244 /nfs/dbraw/zinc/00/02/44/327000244.db2.gz XXSFXYXOGXMPKU-RHSMWYFYSA-N 1 2 372.387 2.262 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CCCC1 ZINC000159372880 545947686 /nfs/dbraw/zinc/94/76/86/545947686.db2.gz SNFKTTVNZBCTBH-UHFFFAOYSA-N 1 2 352.862 2.416 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CCCC1 ZINC000159372880 545947690 /nfs/dbraw/zinc/94/76/90/545947690.db2.gz SNFKTTVNZBCTBH-UHFFFAOYSA-N 1 2 352.862 2.416 20 70 FEIDLO Cn1ccc(N2CCC[C@H]([N@@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n1 ZINC000159490988 545958441 /nfs/dbraw/zinc/95/84/41/545958441.db2.gz JMEVKKLCOIVVKZ-GHTZIAJQSA-N 1 2 366.465 2.089 20 70 FEIDLO Cn1ccc(N2CCC[C@H]([N@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n1 ZINC000159490988 545958445 /nfs/dbraw/zinc/95/84/45/545958445.db2.gz JMEVKKLCOIVVKZ-GHTZIAJQSA-N 1 2 366.465 2.089 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)N[C@H]1CCC[C@@H]1OC)c1[nH+]ccn1C ZINC000159519458 545960589 /nfs/dbraw/zinc/96/05/89/545960589.db2.gz KRDNYLNCKVOKPA-XIRDDKMYSA-N 1 2 358.442 2.385 20 70 FEIDLO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC(C)(CO)CO ZINC000159535578 545961655 /nfs/dbraw/zinc/96/16/55/545961655.db2.gz ONZKBFNBYNCDLI-UHFFFAOYSA-N 1 2 368.783 2.220 20 70 FEIDLO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)CC(C)(CO)CO ZINC000159535578 545961661 /nfs/dbraw/zinc/96/16/61/545961661.db2.gz ONZKBFNBYNCDLI-UHFFFAOYSA-N 1 2 368.783 2.220 20 70 FEIDLO COc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000159752616 545977801 /nfs/dbraw/zinc/97/78/01/545977801.db2.gz BNTQJMWTBWIDLZ-GFCCVEGCSA-N 1 2 362.380 2.158 20 70 FEIDLO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)nn1 ZINC000159752616 545977806 /nfs/dbraw/zinc/97/78/06/545977806.db2.gz BNTQJMWTBWIDLZ-GFCCVEGCSA-N 1 2 362.380 2.158 20 70 FEIDLO CCOC(=O)C1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCC1 ZINC000159759563 545978858 /nfs/dbraw/zinc/97/88/58/545978858.db2.gz DWECBTOPBKLPMC-SFHVURJKSA-N 1 2 374.481 2.218 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000159784245 545980339 /nfs/dbraw/zinc/98/03/39/545980339.db2.gz YXINDIMTLDATDV-SFHVURJKSA-N 1 2 370.453 2.251 20 70 FEIDLO Cc1cc(C)c(CCNC(=O)CSCC[NH+]2CCOCC2)c(C)c1 ZINC000159948555 545995213 /nfs/dbraw/zinc/99/52/13/545995213.db2.gz CXCQZDAKGPQOLW-UHFFFAOYSA-N 1 2 350.528 2.336 20 70 FEIDLO COC(=O)[C@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000160116796 546009201 /nfs/dbraw/zinc/00/92/01/546009201.db2.gz DKULDYUGROCJJI-SWLSCSKDSA-N 1 2 369.412 2.162 20 70 FEIDLO Cc1conc1NC(=O)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000160151297 546012931 /nfs/dbraw/zinc/01/29/31/546012931.db2.gz NBOPDHPCJRTWSF-UHFFFAOYSA-N 1 2 357.414 2.013 20 70 FEIDLO Cc1cccc([C@@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]2CCOCC2)c1 ZINC000160219254 546019161 /nfs/dbraw/zinc/01/91/61/546019161.db2.gz HXAHAXHOKJNYTC-PKOBYXMFSA-N 1 2 363.502 2.169 20 70 FEIDLO COc1ccccc1C[N@H+](CCO)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000160484174 546045139 /nfs/dbraw/zinc/04/51/39/546045139.db2.gz JSUYGNASEKEBJD-UHFFFAOYSA-N 1 2 374.485 2.159 20 70 FEIDLO COc1ccccc1C[N@@H+](CCO)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000160484174 546045144 /nfs/dbraw/zinc/04/51/44/546045144.db2.gz JSUYGNASEKEBJD-UHFFFAOYSA-N 1 2 374.485 2.159 20 70 FEIDLO O=C(Nc1ccc2c(c1)CCC(=O)N2)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160567312 546052733 /nfs/dbraw/zinc/05/27/33/546052733.db2.gz YQLFXQYJGOCRBB-OAHLLOKOSA-N 1 2 351.410 2.367 20 70 FEIDLO C[N@H+](CCNC(=O)c1csc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000160771468 546071517 /nfs/dbraw/zinc/07/15/17/546071517.db2.gz RFRQSDRNUXNUAW-UHFFFAOYSA-N 1 2 352.481 2.013 20 70 FEIDLO C[N@@H+](CCNC(=O)c1csc(S(C)(=O)=O)c1)Cc1ccccc1 ZINC000160771468 546071525 /nfs/dbraw/zinc/07/15/25/546071525.db2.gz RFRQSDRNUXNUAW-UHFFFAOYSA-N 1 2 352.481 2.013 20 70 FEIDLO CN1CC[NH+](Cc2cccc(NC(=O)c3cccc4[nH]c(=O)oc43)c2)CC1 ZINC000161040187 546095052 /nfs/dbraw/zinc/09/50/52/546095052.db2.gz FPHWFUZNVNFBGE-UHFFFAOYSA-N 1 2 366.421 2.121 20 70 FEIDLO CC[C@H](C)NC(=O)CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161163235 546106050 /nfs/dbraw/zinc/10/60/50/546106050.db2.gz FRBZGYNFKRZMBQ-AWEZNQCLSA-N 1 2 357.458 2.251 20 70 FEIDLO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161244415 546113314 /nfs/dbraw/zinc/11/33/14/546113314.db2.gz HHFQBKFKHOBEES-INIZCTEOSA-N 1 2 362.367 2.419 20 70 FEIDLO C[C@H](O)CCN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000159921800 326946896 /nfs/dbraw/zinc/94/68/96/326946896.db2.gz VWXNTIMYMHBZBB-AWEZNQCLSA-N 1 2 357.454 2.386 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000160064674 326952318 /nfs/dbraw/zinc/95/23/18/326952318.db2.gz KZSIZHULUIYXCN-UHFFFAOYSA-N 1 2 367.409 2.045 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000161024913 326985375 /nfs/dbraw/zinc/98/53/75/326985375.db2.gz YIXCBWSHVWUIEM-OAHLLOKOSA-N 1 2 358.360 2.408 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000161028195 326985598 /nfs/dbraw/zinc/98/55/98/326985598.db2.gz BTVAVGMRIMZBCY-SFHVURJKSA-N 1 2 368.437 2.092 20 70 FEIDLO CCOc1c(OC)cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000161042798 326986226 /nfs/dbraw/zinc/98/62/26/326986226.db2.gz CVRBWNRIXREMIC-CQSZACIVSA-N 1 2 359.426 2.178 20 70 FEIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000161223228 326992213 /nfs/dbraw/zinc/99/22/13/326992213.db2.gz KJBARJJIPZBDTA-XMTFNYHQSA-N 1 2 361.530 2.404 20 70 FEIDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cn(C)nc2C)c2nccn2C)c1 ZINC000159865461 545986934 /nfs/dbraw/zinc/98/69/34/545986934.db2.gz HXYXHAVHCXUOQE-SFHVURJKSA-N 1 2 355.442 2.358 20 70 FEIDLO C[C@H](Cc1c(F)cccc1F)NC(=O)CSCC[NH+]1CCOCC1 ZINC000159993121 545998461 /nfs/dbraw/zinc/99/84/61/545998461.db2.gz OXVYLTSMNCIALX-CYBMUJFWSA-N 1 2 358.454 2.077 20 70 FEIDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2=O)cc1 ZINC000160745378 546068208 /nfs/dbraw/zinc/06/82/08/546068208.db2.gz MNBKZMRGBOMEIW-GDBMZVCRSA-N 1 2 352.438 2.450 20 70 FEIDLO CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)Cc1cnn(C)c1 ZINC000160810824 546074396 /nfs/dbraw/zinc/07/43/96/546074396.db2.gz LTBMFWYJZCPABE-UHFFFAOYSA-N 1 2 354.410 2.393 20 70 FEIDLO CC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)Cc1cnn(C)c1 ZINC000160810824 546074403 /nfs/dbraw/zinc/07/44/03/546074403.db2.gz LTBMFWYJZCPABE-UHFFFAOYSA-N 1 2 354.410 2.393 20 70 FEIDLO CCOC(=O)C1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC1 ZINC000161041830 546095457 /nfs/dbraw/zinc/09/54/57/546095457.db2.gz DERDIFVZZLDRFA-UHFFFAOYSA-N 1 2 359.470 2.106 20 70 FEIDLO CC(C)[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccncc2)no1 ZINC000161136870 546102664 /nfs/dbraw/zinc/10/26/64/546102664.db2.gz UCUIRKDWJWTCAC-GOEBONIOSA-N 1 2 366.425 2.404 20 70 FEIDLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000161136700 546103054 /nfs/dbraw/zinc/10/30/54/546103054.db2.gz ZELFBQHCVZNLOQ-AZUAARDMSA-N 1 2 369.465 2.465 20 70 FEIDLO O=C(c1cn2cccnc2n1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161282768 546116393 /nfs/dbraw/zinc/11/63/93/546116393.db2.gz WJKUIHDMFLYRAE-UHFFFAOYSA-N 1 2 355.829 2.341 20 70 FEIDLO CC(C)c1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC2 ZINC000161440282 546129628 /nfs/dbraw/zinc/12/96/28/546129628.db2.gz JMNKRNSGMVWBOR-KBPBESRZSA-N 1 2 357.462 2.376 20 70 FEIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1F ZINC000159481241 326933123 /nfs/dbraw/zinc/93/31/23/326933123.db2.gz LYZIIFBFRJZQOG-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000160351477 326962511 /nfs/dbraw/zinc/96/25/11/326962511.db2.gz MJOFFDXLNGMJCI-UHFFFAOYSA-N 1 2 373.522 2.270 20 70 FEIDLO CN(CC[NH+]1CCOCC1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000160383608 326963694 /nfs/dbraw/zinc/96/36/94/326963694.db2.gz GMFYBBSQLPXKNG-UHFFFAOYSA-N 1 2 354.454 2.222 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000160405598 326964440 /nfs/dbraw/zinc/96/44/40/326964440.db2.gz ZJUBJXOLGQVRNL-NSHDSACASA-N 1 2 367.298 2.240 20 70 FEIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000160831779 326978719 /nfs/dbraw/zinc/97/87/19/326978719.db2.gz KQYAWEUCCGDQDW-UHFFFAOYSA-N 1 2 374.506 2.431 20 70 FEIDLO CC1CC[NH+](Cc2csc(NC(=O)CNC(=O)c3cccnc3)n2)CC1 ZINC000160839106 326979094 /nfs/dbraw/zinc/97/90/94/326979094.db2.gz YKZBDPHENLBBBI-UHFFFAOYSA-N 1 2 373.482 2.139 20 70 FEIDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161365053 326997002 /nfs/dbraw/zinc/99/70/02/326997002.db2.gz DETKRYOTOFHTCW-SMDDNHRTSA-N 1 2 373.375 2.358 20 70 FEIDLO CC1(C)C[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000161435790 326999172 /nfs/dbraw/zinc/99/91/72/326999172.db2.gz AANNAIBYLUPRSH-ROUUACIJSA-N 1 2 361.486 2.317 20 70 FEIDLO Cc1[nH+]c2ccccn2c1CN1CCc2ccc(S(=O)(=O)N(C)C)cc21 ZINC000160462659 519105400 /nfs/dbraw/zinc/10/54/00/519105400.db2.gz CWFXMOCFAZAGFG-UHFFFAOYSA-N 1 2 370.478 2.456 20 70 FEIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000159423515 545951975 /nfs/dbraw/zinc/95/19/75/545951975.db2.gz NIHGDTOVJDDFEA-LBPRGKRZSA-N 1 2 350.406 2.398 20 70 FEIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000159423515 545951977 /nfs/dbraw/zinc/95/19/77/545951977.db2.gz NIHGDTOVJDDFEA-LBPRGKRZSA-N 1 2 350.406 2.398 20 70 FEIDLO O=S(=O)(c1cccnc1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000159867053 545986691 /nfs/dbraw/zinc/98/66/91/545986691.db2.gz UKCXTNBNSNQNGI-UHFFFAOYSA-N 1 2 357.435 2.334 20 70 FEIDLO COc1ccccc1N1CCC[C@H](SCC[NH+]2CCOCC2)C1=O ZINC000160065830 546003995 /nfs/dbraw/zinc/00/39/95/546003995.db2.gz VKOZJRZRBPEKBN-KRWDZBQOSA-N 1 2 350.484 2.256 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000160150442 546012252 /nfs/dbraw/zinc/01/22/52/546012252.db2.gz XENYAVLGYMFFLE-UHFFFAOYSA-N 1 2 353.488 2.307 20 70 FEIDLO CN(C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160225856 546019507 /nfs/dbraw/zinc/01/95/07/546019507.db2.gz QZKLSLIXHCKEMI-INIZCTEOSA-N 1 2 353.426 2.184 20 70 FEIDLO CCO[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C12CCC2 ZINC000160376156 546035158 /nfs/dbraw/zinc/03/51/58/546035158.db2.gz BAAQWIJEPLBTCV-ZWKOTPCHSA-N 1 2 358.486 2.257 20 70 FEIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000160644686 546059325 /nfs/dbraw/zinc/05/93/25/546059325.db2.gz GXABHNPZIANUIZ-UHFFFAOYSA-N 1 2 358.442 2.186 20 70 FEIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000160644686 546059331 /nfs/dbraw/zinc/05/93/31/546059331.db2.gz GXABHNPZIANUIZ-UHFFFAOYSA-N 1 2 358.442 2.186 20 70 FEIDLO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1nc2ccc(Br)cc2[nH]1 ZINC000160663948 546061526 /nfs/dbraw/zinc/06/15/26/546061526.db2.gz BWVSQPZJIWEONU-OAHLLOKOSA-N 1 2 370.247 2.383 20 70 FEIDLO Cc1ccc(C[N@@H+](C)Cc2ccccc2S(=O)(=O)N2CCOCC2)o1 ZINC000160848223 546077472 /nfs/dbraw/zinc/07/74/72/546077472.db2.gz NXAIKJZCRGSELW-UHFFFAOYSA-N 1 2 364.467 2.241 20 70 FEIDLO Cc1ccc(C[N@H+](C)Cc2ccccc2S(=O)(=O)N2CCOCC2)o1 ZINC000160848223 546077475 /nfs/dbraw/zinc/07/74/75/546077475.db2.gz NXAIKJZCRGSELW-UHFFFAOYSA-N 1 2 364.467 2.241 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000160989563 546091120 /nfs/dbraw/zinc/09/11/20/546091120.db2.gz UPKFEIJAJALEBK-WMLDXEAASA-N 1 2 374.485 2.202 20 70 FEIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1c[nH]nc1C ZINC000161126416 546102867 /nfs/dbraw/zinc/10/28/67/546102867.db2.gz TXJSFOVUICAQAB-MRXNPFEDSA-N 1 2 359.426 2.398 20 70 FEIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1c[nH]nc1C ZINC000161126416 546102869 /nfs/dbraw/zinc/10/28/69/546102869.db2.gz TXJSFOVUICAQAB-MRXNPFEDSA-N 1 2 359.426 2.398 20 70 FEIDLO O=S(=O)(Cc1cccc(Cl)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218102374 548684624 /nfs/dbraw/zinc/68/46/24/548684624.db2.gz ZJGHNLBGHAGBEF-HNNXBMFYSA-N 1 2 351.859 2.433 20 70 FEIDLO CNC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000160611182 326971308 /nfs/dbraw/zinc/97/13/08/326971308.db2.gz LVKXTKKMUVTRGN-CQSZACIVSA-N 1 2 353.426 2.150 20 70 FEIDLO C[C@@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCOCC1 ZINC000160929409 326982500 /nfs/dbraw/zinc/98/25/00/326982500.db2.gz WNTWXHGSMUDEKY-MRXNPFEDSA-N 1 2 356.470 2.041 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)NOCc1cccnc1)c1[nH+]ccn1C ZINC000161033297 326985675 /nfs/dbraw/zinc/98/56/75/326985675.db2.gz XJZDNKCSHNZHKJ-KRWDZBQOSA-N 1 2 367.409 2.344 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000161038557 326985982 /nfs/dbraw/zinc/98/59/82/326985982.db2.gz XUOJBBRMZDZNCI-INIZCTEOSA-N 1 2 358.467 2.028 20 70 FEIDLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000161394068 326998064 /nfs/dbraw/zinc/99/80/64/326998064.db2.gz MQYAYZCATONMTO-UHFFFAOYSA-N 1 2 356.474 2.228 20 70 FEIDLO COc1ccc(CCNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)c1 ZINC000161117584 518148970 /nfs/dbraw/zinc/14/89/70/518148970.db2.gz CAIIKVISBTWAEO-KGLIPLIRSA-N 1 2 369.893 2.300 20 70 FEIDLO Cc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c(=O)[nH]c1C ZINC000159423695 545953045 /nfs/dbraw/zinc/95/30/45/545953045.db2.gz MMNMSIVEHZLEDH-JTQLQIEISA-N 1 2 361.471 2.327 20 70 FEIDLO Cc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c(=O)[nH]c1C ZINC000159423695 545953051 /nfs/dbraw/zinc/95/30/51/545953051.db2.gz MMNMSIVEHZLEDH-JTQLQIEISA-N 1 2 361.471 2.327 20 70 FEIDLO CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159479033 545957475 /nfs/dbraw/zinc/95/74/75/545957475.db2.gz ZOTDOXGAPXOMOK-JKSUJKDBSA-N 1 2 363.506 2.079 20 70 FEIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)C1 ZINC000159693319 545973021 /nfs/dbraw/zinc/97/30/21/545973021.db2.gz SQUJPDOZEXVGIN-HZPDHXFCSA-N 1 2 372.473 2.140 20 70 FEIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncnc(-n2cccn2)c1N ZINC000159712281 545975759 /nfs/dbraw/zinc/97/57/59/545975759.db2.gz CVEWDUOQKJIWTO-UHFFFAOYSA-N 1 2 360.425 2.126 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)Nc1nc(-c2ccco2)cs1 ZINC000159776622 545979478 /nfs/dbraw/zinc/97/94/78/545979478.db2.gz NYYDUBLLWDJQDU-UHFFFAOYSA-N 1 2 353.469 2.407 20 70 FEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000159955092 545995313 /nfs/dbraw/zinc/99/53/13/545995313.db2.gz BMCQTXHUKTUJJU-ZBFHGGJFSA-N 1 2 350.484 2.080 20 70 FEIDLO COCCOc1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160077896 546005092 /nfs/dbraw/zinc/00/50/92/546005092.db2.gz PDBUCGWBRWNIJI-ZBFHGGJFSA-N 1 2 373.453 2.357 20 70 FEIDLO O=C(c1csc([C@@H]2CCCO2)n1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266688 546024498 /nfs/dbraw/zinc/02/44/98/546024498.db2.gz GCXYOKRBUCSFFQ-INIZCTEOSA-N 1 2 358.467 2.348 20 70 FEIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCc2c[nH]c3c2cccc3C)CC1 ZINC000160274879 546026264 /nfs/dbraw/zinc/02/62/64/546026264.db2.gz QPLUWDMOIIBCJN-UHFFFAOYSA-N 1 2 370.497 2.079 20 70 FEIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCc2c[nH]c3c2cccc3C)CC1 ZINC000160274879 546026268 /nfs/dbraw/zinc/02/62/68/546026268.db2.gz QPLUWDMOIIBCJN-UHFFFAOYSA-N 1 2 370.497 2.079 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000160486237 546045405 /nfs/dbraw/zinc/04/54/05/546045405.db2.gz YAPBRVFCJBCXQZ-UHFFFAOYSA-N 1 2 354.332 2.414 20 70 FEIDLO COC(=O)c1cc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)oc1C ZINC000160497319 546046624 /nfs/dbraw/zinc/04/66/24/546046624.db2.gz FQTXODWAFQQRRH-CQSZACIVSA-N 1 2 372.425 2.238 20 70 FEIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(C)cc(Cl)cc1C ZINC000160591698 546055193 /nfs/dbraw/zinc/05/51/93/546055193.db2.gz UNEZVIGDYGULTQ-HNNXBMFYSA-N 1 2 372.918 2.082 20 70 FEIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(C)cc(Cl)cc1C ZINC000160591698 546055194 /nfs/dbraw/zinc/05/51/94/546055194.db2.gz UNEZVIGDYGULTQ-HNNXBMFYSA-N 1 2 372.918 2.082 20 70 FEIDLO C[N@@H+]1CCc2nc(NC(=O)CCNC(=O)C3CCCCC3)sc2C1 ZINC000160746745 546068167 /nfs/dbraw/zinc/06/81/67/546068167.db2.gz WBDPGUHCCATYPZ-UHFFFAOYSA-N 1 2 350.488 2.156 20 70 FEIDLO C[N@H+]1CCc2nc(NC(=O)CCNC(=O)C3CCCCC3)sc2C1 ZINC000160746745 546068175 /nfs/dbraw/zinc/06/81/75/546068175.db2.gz WBDPGUHCCATYPZ-UHFFFAOYSA-N 1 2 350.488 2.156 20 70 FEIDLO COC(=O)c1[nH]c(C)c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1C ZINC000160870084 546080020 /nfs/dbraw/zinc/08/00/20/546080020.db2.gz TVPFDGFUARTXSE-OAHLLOKOSA-N 1 2 370.453 2.332 20 70 FEIDLO CC(C)Oc1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000160908049 546083572 /nfs/dbraw/zinc/08/35/72/546083572.db2.gz OUFVMYWBJCFEBZ-UHFFFAOYSA-N 1 2 369.469 2.291 20 70 FEIDLO CCOCC[N@H+](CC)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000161015428 546092766 /nfs/dbraw/zinc/09/27/66/546092766.db2.gz KBDMEWROIURGBB-UHFFFAOYSA-N 1 2 350.419 2.149 20 70 FEIDLO CCOCC[N@@H+](CC)Cc1nc2oc(C)c(C(=O)OCC)c2c(N)n1 ZINC000161015428 546092769 /nfs/dbraw/zinc/09/27/69/546092769.db2.gz KBDMEWROIURGBB-UHFFFAOYSA-N 1 2 350.419 2.149 20 70 FEIDLO Cc1ccc(C(=O)NC2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)s1 ZINC000161053742 546095659 /nfs/dbraw/zinc/09/56/59/546095659.db2.gz OGYSBHQFMFLBIS-CQSZACIVSA-N 1 2 372.494 2.236 20 70 FEIDLO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161060369 546097275 /nfs/dbraw/zinc/09/72/75/546097275.db2.gz WLMQZXHOFHHBKS-DLBZAZTESA-N 1 2 360.502 2.381 20 70 FEIDLO CCc1[nH]c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(C)c1C(=O)OC ZINC000161222787 546110613 /nfs/dbraw/zinc/11/06/13/546110613.db2.gz QWBOUQQHYDRIGW-ZDUSSCGKSA-N 1 2 356.426 2.076 20 70 FEIDLO O=C(Nc1cc(-c2cccs2)nn1CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC000161213221 546111018 /nfs/dbraw/zinc/11/10/18/546111018.db2.gz FIWVCAYCCXTGGD-LBPRGKRZSA-N 1 2 357.439 2.002 20 70 FEIDLO Cc1cnc([C@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000161246492 546113046 /nfs/dbraw/zinc/11/30/46/546113046.db2.gz OPFFKOZQBUEKFD-CQSZACIVSA-N 1 2 359.499 2.477 20 70 FEIDLO Cc1cnn(Cc2cc(C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)no2)c1 ZINC000159687077 326939034 /nfs/dbraw/zinc/93/90/34/326939034.db2.gz IPFHWCIBOYAMQS-HNNXBMFYSA-N 1 2 368.441 2.056 20 70 FEIDLO Cc1ccc(Nc2nc(N)nc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159964361 326948949 /nfs/dbraw/zinc/94/89/49/326948949.db2.gz XEMHPVYHTVJHLI-UHFFFAOYSA-N 1 2 360.487 2.071 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)n1 ZINC000161009910 326984832 /nfs/dbraw/zinc/98/48/32/326984832.db2.gz OAXHAJDJFGPHRJ-UHFFFAOYSA-N 1 2 355.438 2.451 20 70 FEIDLO CC(C)S(=O)(=O)Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161056807 326986473 /nfs/dbraw/zinc/98/64/73/326986473.db2.gz RBOPFENJWLUXNL-OAHLLOKOSA-N 1 2 361.467 2.407 20 70 FEIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450101 545953783 /nfs/dbraw/zinc/95/37/83/545953783.db2.gz UMWCBNJLOBFJMN-YNEHKIRRSA-N 1 2 352.504 2.226 20 70 FEIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450101 545953785 /nfs/dbraw/zinc/95/37/85/545953785.db2.gz UMWCBNJLOBFJMN-YNEHKIRRSA-N 1 2 352.504 2.226 20 70 FEIDLO C[N@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)CC(C)(CO)CO ZINC000159566429 545963660 /nfs/dbraw/zinc/96/36/60/545963660.db2.gz LLLSVAFQDSUXGY-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO C[N@@H+](CC(=O)Nc1cccc(Oc2ccccc2)c1)CC(C)(CO)CO ZINC000159566429 545963664 /nfs/dbraw/zinc/96/36/64/545963664.db2.gz LLLSVAFQDSUXGY-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159612077 545967150 /nfs/dbraw/zinc/96/71/50/545967150.db2.gz KGTPBIONVBNZGY-SNVBAGLBSA-N 1 2 351.248 2.283 20 70 FEIDLO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159612077 545967152 /nfs/dbraw/zinc/96/71/52/545967152.db2.gz KGTPBIONVBNZGY-SNVBAGLBSA-N 1 2 351.248 2.283 20 70 FEIDLO Cc1c(CCC(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cnn1C ZINC000159756178 545977701 /nfs/dbraw/zinc/97/77/01/545977701.db2.gz RABLPKRYTKLSTI-UHFFFAOYSA-N 1 2 355.486 2.047 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000159758322 545978331 /nfs/dbraw/zinc/97/83/31/545978331.db2.gz IPESAHIWLFTBLF-OFQRWUPVSA-N 1 2 374.485 2.106 20 70 FEIDLO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159910536 545991567 /nfs/dbraw/zinc/99/15/67/545991567.db2.gz WJHYBOAOIOCASO-LBPRGKRZSA-N 1 2 354.332 2.098 20 70 FEIDLO Cc1cc(NC(=O)CSCC[NH+]2CCOCC2)n(-c2ccc(C)cc2)n1 ZINC000159971499 545995667 /nfs/dbraw/zinc/99/56/67/545995667.db2.gz ASYITJKSTKUIFC-UHFFFAOYSA-N 1 2 374.510 2.493 20 70 FEIDLO O=C(NCCn1cccc1)C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000160082122 546005162 /nfs/dbraw/zinc/00/51/62/546005162.db2.gz LABJTWHMOZPNBI-UHFFFAOYSA-N 1 2 350.378 2.430 20 70 FEIDLO COCCOc1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160077628 546005419 /nfs/dbraw/zinc/00/54/19/546005419.db2.gz PDBUCGWBRWNIJI-GDBMZVCRSA-N 1 2 373.453 2.357 20 70 FEIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCCN(CC(F)F)CC1 ZINC000160122498 546009548 /nfs/dbraw/zinc/00/95/48/546009548.db2.gz HQWUXEFRMPYWLV-UHFFFAOYSA-N 1 2 367.444 2.164 20 70 FEIDLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c[nH]nc1C ZINC000160225158 546019224 /nfs/dbraw/zinc/01/92/24/546019224.db2.gz NWPADZAGARPPFK-UHFFFAOYSA-N 1 2 357.458 2.015 20 70 FEIDLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1c[nH]nc1C ZINC000160225158 546019230 /nfs/dbraw/zinc/01/92/30/546019230.db2.gz NWPADZAGARPPFK-UHFFFAOYSA-N 1 2 357.458 2.015 20 70 FEIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccs1 ZINC000160358031 546032904 /nfs/dbraw/zinc/03/29/04/546032904.db2.gz OTLYUEWWBBVHBS-UHFFFAOYSA-N 1 2 365.524 2.191 20 70 FEIDLO CO[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000160512962 546048285 /nfs/dbraw/zinc/04/82/85/546048285.db2.gz VRUHUEHJMLKPBQ-IBGZPJMESA-N 1 2 372.444 2.436 20 70 FEIDLO COCc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)o1 ZINC000160598850 546056188 /nfs/dbraw/zinc/05/61/88/546056188.db2.gz BYSGRMOBWSMPJJ-UHFFFAOYSA-N 1 2 362.401 2.288 20 70 FEIDLO O=C(CCc1ccc(F)cc1F)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160631242 546057720 /nfs/dbraw/zinc/05/77/20/546057720.db2.gz YCGJYDOOYGTTNB-SFHVURJKSA-N 1 2 370.465 2.222 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)Nc3cccc(C)n3)CC2)n1 ZINC000160907489 546083712 /nfs/dbraw/zinc/08/37/12/546083712.db2.gz CFTTXCRHLOAEEA-UHFFFAOYSA-N 1 2 355.442 2.299 20 70 FEIDLO Cn1c2ccc(NC(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)cc2oc1=O ZINC000161194278 546108330 /nfs/dbraw/zinc/10/83/30/546108330.db2.gz LOJDEQNSOOXRHA-CQSZACIVSA-N 1 2 367.409 2.317 20 70 FEIDLO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161309846 546119105 /nfs/dbraw/zinc/11/91/05/546119105.db2.gz SYDLAJFAIVINTF-INIZCTEOSA-N 1 2 373.375 2.219 20 70 FEIDLO CCCOc1ccc(CNC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159992578 326949757 /nfs/dbraw/zinc/94/97/57/326949757.db2.gz ZDWXFHOWLHPZLG-UHFFFAOYSA-N 1 2 352.500 2.157 20 70 FEIDLO Cc1ccc2[nH+]c(COc3cccc(C(=O)NC4(CO)CC4)c3)cn2c1 ZINC000160277157 326959900 /nfs/dbraw/zinc/95/99/00/326959900.db2.gz NIBACIRTPQQAHH-UHFFFAOYSA-N 1 2 351.406 2.476 20 70 FEIDLO CCc1ccc([C@@H](COC)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000160373210 326963495 /nfs/dbraw/zinc/96/34/95/326963495.db2.gz FFEQXEZIXAQJTF-GOSISDBHSA-N 1 2 372.469 2.452 20 70 FEIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3ccc(OC)c(F)c3)CC2)n1 ZINC000160561939 326969724 /nfs/dbraw/zinc/96/97/24/326969724.db2.gz SALUJMFHVFXJTL-UHFFFAOYSA-N 1 2 360.433 2.210 20 70 FEIDLO O=C(Nc1ccc2c(c1)CCC(=O)N2)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160567184 326969849 /nfs/dbraw/zinc/96/98/49/326969849.db2.gz YQLFXQYJGOCRBB-HNNXBMFYSA-N 1 2 351.410 2.367 20 70 FEIDLO COc1ccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1O ZINC000160567971 326969960 /nfs/dbraw/zinc/96/99/60/326969960.db2.gz RNPOMSDIORBVIM-HNNXBMFYSA-N 1 2 356.426 2.264 20 70 FEIDLO COc1ccccc1N1CC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000161082291 326987356 /nfs/dbraw/zinc/98/73/56/326987356.db2.gz BWLBNOIARBYSQG-OAHLLOKOSA-N 1 2 350.422 2.281 20 70 FEIDLO COC(=O)c1[nH]c(C)c(C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C ZINC000160401578 518021204 /nfs/dbraw/zinc/02/12/04/518021204.db2.gz IWGWVKACVVZJSE-UHFFFAOYSA-N 1 2 358.442 2.474 20 70 FEIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000159447122 545954397 /nfs/dbraw/zinc/95/43/97/545954397.db2.gz POEQPMFPPSJEOQ-UHFFFAOYSA-N 1 2 366.396 2.020 20 70 FEIDLO Cn1cc(N2CCC[C@@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cn1 ZINC000159678629 545972573 /nfs/dbraw/zinc/97/25/73/545972573.db2.gz LYKRSPHLAZGFFW-GOSISDBHSA-N 1 2 373.888 2.391 20 70 FEIDLO Fc1ccc(OCc2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159869771 545988473 /nfs/dbraw/zinc/98/84/73/545988473.db2.gz HFOAJPMRTXVSOW-UHFFFAOYSA-N 1 2 353.419 2.353 20 70 FEIDLO COc1ccc2c(c1)CCCN2C(=O)CSCC[NH+]1CCOCC1 ZINC000159976260 545996852 /nfs/dbraw/zinc/99/68/52/545996852.db2.gz GODGMMPYLSHJNO-UHFFFAOYSA-N 1 2 350.484 2.040 20 70 FEIDLO COc1cc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000160005480 545999670 /nfs/dbraw/zinc/99/96/70/545999670.db2.gz XMWQIHGFDKUQFJ-QWHCGFSZSA-N 1 2 359.426 2.349 20 70 FEIDLO CNC(=O)c1cccc(CCC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1 ZINC000160002217 546000005 /nfs/dbraw/zinc/00/00/05/546000005.db2.gz HPQFZRKMNJGHAS-UHFFFAOYSA-N 1 2 358.467 2.062 20 70 FEIDLO CNC(=O)c1cccc(CCC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1 ZINC000160002217 546000010 /nfs/dbraw/zinc/00/00/10/546000010.db2.gz HPQFZRKMNJGHAS-UHFFFAOYSA-N 1 2 358.467 2.062 20 70 FEIDLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000160044092 546003283 /nfs/dbraw/zinc/00/32/83/546003283.db2.gz UPBHYWHXBKWJOC-UHFFFAOYSA-N 1 2 367.434 2.184 20 70 FEIDLO CC(C)(C)n1ncc2c1nc[nH+]c2NC1CCN(c2ncccn2)CC1 ZINC000160592482 546054333 /nfs/dbraw/zinc/05/43/33/546054333.db2.gz XXSIJIVUBBFFIM-UHFFFAOYSA-N 1 2 352.446 2.452 20 70 FEIDLO COc1cc(C)ccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160700828 546065444 /nfs/dbraw/zinc/06/54/44/546065444.db2.gz WRHVZENSDKRJRV-UHFFFAOYSA-N 1 2 354.454 2.426 20 70 FEIDLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160821638 546075647 /nfs/dbraw/zinc/07/56/47/546075647.db2.gz ZVWKCCRDPRUTEO-MRXNPFEDSA-N 1 2 367.453 2.492 20 70 FEIDLO CC(=O)N1CCCc2cc(NC(=O)NCC(C)(C)[NH+]3CCOCC3)ccc21 ZINC000160873939 546079802 /nfs/dbraw/zinc/07/98/02/546079802.db2.gz QYLAABWNPSDRKK-UHFFFAOYSA-N 1 2 374.485 2.218 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCS[C@@H](C)C3)nc(N)c21 ZINC000160913371 546084416 /nfs/dbraw/zinc/08/44/16/546084416.db2.gz WVEVDWSGMNFSFG-VIFPVBQESA-N 1 2 350.444 2.227 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCS[C@@H](C)C3)nc(N)c21 ZINC000160913371 546084418 /nfs/dbraw/zinc/08/44/18/546084418.db2.gz WVEVDWSGMNFSFG-VIFPVBQESA-N 1 2 350.444 2.227 20 70 FEIDLO CC(C)(C)CC[NH+]1CCN(C(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160993298 546091349 /nfs/dbraw/zinc/09/13/49/546091349.db2.gz ZGKIPHJAZCPSPC-UHFFFAOYSA-N 1 2 358.529 2.346 20 70 FEIDLO COC(=O)c1cc(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)c[nH]1 ZINC000161045750 546095572 /nfs/dbraw/zinc/09/55/72/546095572.db2.gz OPXGJZIVUQCQDU-UHFFFAOYSA-N 1 2 373.453 2.136 20 70 FEIDLO COC(=O)c1cc(C[NH+]2CCN(Cc3cc(OC)ccc3OC)CC2)c[nH]1 ZINC000161045750 546095580 /nfs/dbraw/zinc/09/55/80/546095580.db2.gz OPXGJZIVUQCQDU-UHFFFAOYSA-N 1 2 373.453 2.136 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@@H](OCC)C3)nc(N)c21 ZINC000161184640 546108169 /nfs/dbraw/zinc/10/81/69/546108169.db2.gz BKILFDXKJHDQBA-GFCCVEGCSA-N 1 2 362.430 2.291 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@@H](OCC)C3)nc(N)c21 ZINC000161184640 546108173 /nfs/dbraw/zinc/10/81/73/546108173.db2.gz BKILFDXKJHDQBA-GFCCVEGCSA-N 1 2 362.430 2.291 20 70 FEIDLO C[C@@H](C(=O)NCc1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161226711 546111875 /nfs/dbraw/zinc/11/18/75/546111875.db2.gz BZPZLLNKAGEBMR-INIZCTEOSA-N 1 2 356.445 2.043 20 70 FEIDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161226711 546111876 /nfs/dbraw/zinc/11/18/76/546111876.db2.gz BZPZLLNKAGEBMR-INIZCTEOSA-N 1 2 356.445 2.043 20 70 FEIDLO O=C(NCc1nc(C2CC2)cs1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000159578898 326935617 /nfs/dbraw/zinc/93/56/17/326935617.db2.gz IKLVNKYLSLQYHZ-UHFFFAOYSA-N 1 2 373.482 2.252 20 70 FEIDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c3ccsc3)CC1)CC2 ZINC000159625986 326937270 /nfs/dbraw/zinc/93/72/70/326937270.db2.gz WCKXJYVHCOVMLF-XJKSGUPXSA-N 1 2 374.514 2.051 20 70 FEIDLO COc1ccc(CN(C)C(=O)[C@H](C)SCC[NH+]2CCOCC2)cc1F ZINC000160019279 326950717 /nfs/dbraw/zinc/95/07/17/326950717.db2.gz WVQITWIRRCFWNE-AWEZNQCLSA-N 1 2 370.490 2.247 20 70 FEIDLO C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1)C1CCOCC1 ZINC000160394291 326964243 /nfs/dbraw/zinc/96/42/43/326964243.db2.gz RDLICJTYTAYPNC-ZBFHGGJFSA-N 1 2 352.500 2.300 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000160413040 326964793 /nfs/dbraw/zinc/96/47/93/326964793.db2.gz ISHWOGHRILQDQY-LLVKDONJSA-N 1 2 367.298 2.240 20 70 FEIDLO COc1ccc(C2(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)CCOCC2)cc1 ZINC000160438411 326965714 /nfs/dbraw/zinc/96/57/14/326965714.db2.gz OQZJRVSNAWCSDE-MRXNPFEDSA-N 1 2 369.465 2.319 20 70 FEIDLO CCc1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cnn1CC(C)C ZINC000160937344 326982757 /nfs/dbraw/zinc/98/27/57/326982757.db2.gz SJWPKHDPCREZSH-UHFFFAOYSA-N 1 2 355.486 2.455 20 70 FEIDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161465618 327000252 /nfs/dbraw/zinc/00/02/52/327000252.db2.gz FGZREBGUGNJZOC-RISCZKNCSA-N 1 2 355.364 2.359 20 70 FEIDLO CC(C)C[C@H](CNC(=O)c1csc([C@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161500367 327001190 /nfs/dbraw/zinc/00/11/90/327001190.db2.gz WBOOSAUTOODBNM-GDBMZVCRSA-N 1 2 367.515 2.471 20 70 FEIDLO COc1ccc([C@H](NC(=O)N(C[C@@H](C)O)C(C)C)c2[nH+]ccn2C)cc1 ZINC000159532434 545961581 /nfs/dbraw/zinc/96/15/81/545961581.db2.gz QLNNUCWZYTYKKD-PBHICJAKSA-N 1 2 360.458 2.319 20 70 FEIDLO NC(=O)CC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000159729515 545975743 /nfs/dbraw/zinc/97/57/43/545975743.db2.gz CGLSJVVGILIOHO-UHFFFAOYSA-N 1 2 351.248 2.184 20 70 FEIDLO CN(C(=O)CSCC[NH+]1CCOCC1)c1nc2ccccc2s1 ZINC000159890395 545989325 /nfs/dbraw/zinc/98/93/25/545989325.db2.gz RBOPJDOJUCGXNX-UHFFFAOYSA-N 1 2 351.497 2.325 20 70 FEIDLO O=C(NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159910383 545991474 /nfs/dbraw/zinc/99/14/74/545991474.db2.gz WJHYBOAOIOCASO-GFCCVEGCSA-N 1 2 354.332 2.098 20 70 FEIDLO COc1cccc([C@H]2CCCN2C(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159990783 545998133 /nfs/dbraw/zinc/99/81/33/545998133.db2.gz UQCYNWCXVYBFSX-GOSISDBHSA-N 1 2 364.511 2.424 20 70 FEIDLO Cc1cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000160065287 546004661 /nfs/dbraw/zinc/00/46/61/546004661.db2.gz JBDFQXWGEHFRTI-ZDUSSCGKSA-N 1 2 351.453 2.243 20 70 FEIDLO Cc1ccc(N(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000160126220 546009776 /nfs/dbraw/zinc/00/97/76/546009776.db2.gz IFOSPGAZFCQYDM-UHFFFAOYSA-N 1 2 366.465 2.482 20 70 FEIDLO Cc1cccc2nc(CNC(=O)N3CC[NH+](Cc4ccccn4)CC3)cn21 ZINC000160135323 546011228 /nfs/dbraw/zinc/01/12/28/546011228.db2.gz VRWYNNDDVFSISA-UHFFFAOYSA-N 1 2 364.453 2.065 20 70 FEIDLO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000160157162 546012434 /nfs/dbraw/zinc/01/24/34/546012434.db2.gz PUGVOXJVKDECEZ-KGLIPLIRSA-N 1 2 368.319 2.305 20 70 FEIDLO O=C(CCc1nnc(C2CCCC2)o1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160188227 546015575 /nfs/dbraw/zinc/01/55/75/546015575.db2.gz LDYYXUYFETXDOC-UHFFFAOYSA-N 1 2 369.469 2.399 20 70 FEIDLO CS(=O)(=O)c1ccc([C@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160318972 546029437 /nfs/dbraw/zinc/02/94/37/546029437.db2.gz AFEQAZVKCCTWME-MRXNPFEDSA-N 1 2 366.508 2.007 20 70 FEIDLO C[C@H](C(=O)NCCCOc1ccc2ccccc2c1)[NH+]1CCN(C)CC1 ZINC000160718473 546065990 /nfs/dbraw/zinc/06/59/90/546065990.db2.gz FWODHENCYXKTHS-QGZVFWFLSA-N 1 2 355.482 2.361 20 70 FEIDLO O=C(NCCOc1ccc(Br)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160861201 546078657 /nfs/dbraw/zinc/07/86/57/546078657.db2.gz GOEGFGUVHDXPLJ-GFCCVEGCSA-N 1 2 364.243 2.403 20 70 FEIDLO COC(=O)c1[nH]c(C)c(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1C ZINC000160869933 546080140 /nfs/dbraw/zinc/08/01/40/546080140.db2.gz TVPFDGFUARTXSE-HNNXBMFYSA-N 1 2 370.453 2.332 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)NCC[N@@H+]3CCc4sccc4C3)nn2)c1 ZINC000160934485 546086869 /nfs/dbraw/zinc/08/68/69/546086869.db2.gz IPBJCLRREJXESA-UHFFFAOYSA-N 1 2 367.478 2.425 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)NCC[N@H+]3CCc4sccc4C3)nn2)c1 ZINC000160934485 546086873 /nfs/dbraw/zinc/08/68/73/546086873.db2.gz IPBJCLRREJXESA-UHFFFAOYSA-N 1 2 367.478 2.425 20 70 FEIDLO COc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC(F)F ZINC000161003139 546091040 /nfs/dbraw/zinc/09/10/40/546091040.db2.gz LRUKRKMJCHGAHH-OAHLLOKOSA-N 1 2 370.396 2.120 20 70 FEIDLO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161141760 546104355 /nfs/dbraw/zinc/10/43/55/546104355.db2.gz ANBBQEOYUGJIDN-ZLKJLUDKSA-N 1 2 373.375 2.047 20 70 FEIDLO CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161141760 546104359 /nfs/dbraw/zinc/10/43/59/546104359.db2.gz ANBBQEOYUGJIDN-ZLKJLUDKSA-N 1 2 373.375 2.047 20 70 FEIDLO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000161294497 546118457 /nfs/dbraw/zinc/11/84/57/546118457.db2.gz SZBKGVPLXQIRTB-KCXAZCMYSA-N 1 2 355.429 2.370 20 70 FEIDLO COCc1nc2n(n1)C[C@@H](Nc1nc(-c3ccncc3)[nH+]c(C)c1C)CC2 ZINC000161332481 546119816 /nfs/dbraw/zinc/11/98/16/546119816.db2.gz OPRAYACDJRPHMC-HNNXBMFYSA-N 1 2 365.441 2.320 20 70 FEIDLO O=C(CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Nc1ccc(F)cc1 ZINC000161333632 546121328 /nfs/dbraw/zinc/12/13/28/546121328.db2.gz GNHSETYSFNBHSY-MRXNPFEDSA-N 1 2 371.416 2.127 20 70 FEIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159479459 326932799 /nfs/dbraw/zinc/93/27/99/326932799.db2.gz JAPWURGWTNMNRX-UHFFFAOYSA-N 1 2 363.352 2.178 20 70 FEIDLO O=C(CNC(=O)CC1CCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000159496036 326933234 /nfs/dbraw/zinc/93/32/34/326933234.db2.gz MKEFTJSONBMNKR-UHFFFAOYSA-N 1 2 368.481 2.287 20 70 FEIDLO CCC[C@H]1CN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCO1 ZINC000160167472 326955895 /nfs/dbraw/zinc/95/58/95/326955895.db2.gz JWDIUSLZEDZZRG-WBVHZDCISA-N 1 2 362.474 2.017 20 70 FEIDLO Cc1cccc([C@@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]2CCOCC2)c1 ZINC000160218968 326957634 /nfs/dbraw/zinc/95/76/34/326957634.db2.gz HXAHAXHOKJNYTC-IEBWSBKVSA-N 1 2 363.502 2.169 20 70 FEIDLO CCO[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C12CCC2 ZINC000160376421 326963279 /nfs/dbraw/zinc/96/32/79/326963279.db2.gz BAAQWIJEPLBTCV-QZTJIDSGSA-N 1 2 358.486 2.257 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1Cl)C[NH+]1CCOCC1 ZINC000160405722 326964601 /nfs/dbraw/zinc/96/46/01/326964601.db2.gz ZJUBJXOLGQVRNL-LLVKDONJSA-N 1 2 367.298 2.240 20 70 FEIDLO CCOC(=O)C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000160620479 326971702 /nfs/dbraw/zinc/97/17/02/326971702.db2.gz IFIPXZHZSUREFC-HOCLYGCPSA-N 1 2 359.401 2.395 20 70 FEIDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCCC2=O)c1 ZINC000160744880 326975817 /nfs/dbraw/zinc/97/58/17/326975817.db2.gz YOBISHLWXNXGQV-ZBFHGGJFSA-N 1 2 352.438 2.450 20 70 FEIDLO COC(=O)CCN(Cc1ccncc1)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160896814 326980922 /nfs/dbraw/zinc/98/09/22/326980922.db2.gz GOMNJFDSOOQGHG-UHFFFAOYSA-N 1 2 358.446 2.026 20 70 FEIDLO Cc1cc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)ccc1C(N)=O ZINC000161342508 326996348 /nfs/dbraw/zinc/99/63/48/326996348.db2.gz MWBFSXJXNPVSMA-OAHLLOKOSA-N 1 2 353.426 2.279 20 70 FEIDLO C[C@@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCOCC1 ZINC000161429671 326999287 /nfs/dbraw/zinc/99/92/87/326999287.db2.gz FXDJBXRBBFELKF-MRXNPFEDSA-N 1 2 373.497 2.268 20 70 FEIDLO Cc1cc(N[C@H](C(=O)N2CCOCC2)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000159595529 545965593 /nfs/dbraw/zinc/96/55/93/545965593.db2.gz MLLFWMRHAGQELR-KRWDZBQOSA-N 1 2 355.442 2.142 20 70 FEIDLO C[N@H+](CCN1CCCC1=O)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159655282 545969956 /nfs/dbraw/zinc/96/99/56/545969956.db2.gz YKECEYONQUBATN-UHFFFAOYSA-N 1 2 351.248 2.380 20 70 FEIDLO C[N@@H+](CCN1CCCC1=O)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159655282 545969961 /nfs/dbraw/zinc/96/99/61/545969961.db2.gz YKECEYONQUBATN-UHFFFAOYSA-N 1 2 351.248 2.380 20 70 FEIDLO C[N@H+](CCN1CCCC1=O)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159655282 545969965 /nfs/dbraw/zinc/96/99/65/545969965.db2.gz YKECEYONQUBATN-UHFFFAOYSA-N 1 2 351.248 2.380 20 70 FEIDLO C[N@@H+](CCN1CCCC1=O)Cc1nc2ccc(Br)cc2[nH]1 ZINC000159655282 545969970 /nfs/dbraw/zinc/96/99/70/545969970.db2.gz YKECEYONQUBATN-UHFFFAOYSA-N 1 2 351.248 2.380 20 70 FEIDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)NCCc1cc2ccccc2[nH]1 ZINC000159678102 545972130 /nfs/dbraw/zinc/97/21/30/545972130.db2.gz HCYULMPSRCZFLT-UHFFFAOYSA-N 1 2 363.465 2.044 20 70 FEIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000159798073 545982158 /nfs/dbraw/zinc/98/21/58/545982158.db2.gz WTIUQBIRIYGCOO-RHSMWYFYSA-N 1 2 367.877 2.223 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000159819130 545982682 /nfs/dbraw/zinc/98/26/82/545982682.db2.gz VLUJHHOURCCVCG-GOSISDBHSA-N 1 2 368.433 2.226 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000159819130 545982687 /nfs/dbraw/zinc/98/26/87/545982687.db2.gz VLUJHHOURCCVCG-GOSISDBHSA-N 1 2 368.433 2.226 20 70 FEIDLO COc1ccc([C@@H](NC(=O)N2CCC[C@@](C)(O)C2)c2[nH+]ccn2C)cc1 ZINC000160054870 546003928 /nfs/dbraw/zinc/00/39/28/546003928.db2.gz IJINNMLXYZMGBJ-VQIMIIECSA-N 1 2 358.442 2.075 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000160092059 546007102 /nfs/dbraw/zinc/00/71/02/546007102.db2.gz QGWLTGZIASGNRG-UHFFFAOYSA-N 1 2 367.409 2.045 20 70 FEIDLO CC[C@H](C)OCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000160204815 546017110 /nfs/dbraw/zinc/01/71/10/546017110.db2.gz YHXXKMHCFQBLAR-HNNXBMFYSA-N 1 2 350.459 2.163 20 70 FEIDLO Cc1ccc(-c2nc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)n[nH]2)o1 ZINC000160245507 546021775 /nfs/dbraw/zinc/02/17/75/546021775.db2.gz VFKFSYFYGWAINJ-MRXNPFEDSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2nc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)n[nH]2)o1 ZINC000160245507 546021779 /nfs/dbraw/zinc/02/17/79/546021779.db2.gz VFKFSYFYGWAINJ-MRXNPFEDSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)o1 ZINC000160245507 546021782 /nfs/dbraw/zinc/02/17/82/546021782.db2.gz VFKFSYFYGWAINJ-MRXNPFEDSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)o1 ZINC000160245507 546021785 /nfs/dbraw/zinc/02/17/85/546021785.db2.gz VFKFSYFYGWAINJ-MRXNPFEDSA-N 1 2 367.409 2.213 20 70 FEIDLO O=S(=O)(Cc1c(F)cccc1F)NCc1cccnc1-n1cc[nH+]c1 ZINC000160491875 546045995 /nfs/dbraw/zinc/04/59/95/546045995.db2.gz RWJVHPBPQSEPPQ-UHFFFAOYSA-N 1 2 364.377 2.165 20 70 FEIDLO Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000160753492 546068973 /nfs/dbraw/zinc/06/89/73/546068973.db2.gz DEEXXISXTAAJEO-GDBMZVCRSA-N 1 2 363.849 2.267 20 70 FEIDLO Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000160753492 546068977 /nfs/dbraw/zinc/06/89/77/546068977.db2.gz DEEXXISXTAAJEO-GDBMZVCRSA-N 1 2 363.849 2.267 20 70 FEIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)c1 ZINC000161106957 546101112 /nfs/dbraw/zinc/10/11/12/546101112.db2.gz XNCRHXZZEABKDE-UHFFFAOYSA-N 1 2 370.434 2.295 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161117503 546102159 /nfs/dbraw/zinc/10/21/59/546102159.db2.gz RTCINDPFFHBWAW-CABCVRRESA-N 1 2 362.474 2.209 20 70 FEIDLO NC(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000161161530 546106256 /nfs/dbraw/zinc/10/62/56/546106256.db2.gz IHMXYCPNLBNEBK-ZDUSSCGKSA-N 1 2 357.389 2.110 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccnn1C1CCCC1 ZINC000161198047 546109943 /nfs/dbraw/zinc/10/99/43/546109943.db2.gz GEYLKNQPAYJCSL-UHFFFAOYSA-N 1 2 368.485 2.150 20 70 FEIDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161364953 546123104 /nfs/dbraw/zinc/12/31/04/546123104.db2.gz DETKRYOTOFHTCW-RISCZKNCSA-N 1 2 373.375 2.358 20 70 FEIDLO CS[C@@H](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000161435531 546129074 /nfs/dbraw/zinc/12/90/74/546129074.db2.gz JOXGFZMPZOFEEK-HNNXBMFYSA-N 1 2 352.500 2.155 20 70 FEIDLO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159472082 326932524 /nfs/dbraw/zinc/93/25/24/326932524.db2.gz WPXPOLFUTUBGIJ-HNNXBMFYSA-N 1 2 373.476 2.493 20 70 FEIDLO COc1ccc([C@@H](NC(=O)N(C[C@H](C)O)C(C)C)c2[nH+]ccn2C)cc1 ZINC000159532848 326934495 /nfs/dbraw/zinc/93/44/95/326934495.db2.gz QLNNUCWZYTYKKD-WMLDXEAASA-N 1 2 360.458 2.319 20 70 FEIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C2CC2)CCC1 ZINC000160001778 326949967 /nfs/dbraw/zinc/94/99/67/326949967.db2.gz WGMWGGGZZDOHCZ-UHFFFAOYSA-N 1 2 364.511 2.332 20 70 FEIDLO Cc1nc(C)c(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000160117634 326953950 /nfs/dbraw/zinc/95/39/50/326953950.db2.gz OKNBMMIEMINHFD-UHFFFAOYSA-N 1 2 359.499 2.225 20 70 FEIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2c2sccc2C)CC1 ZINC000160131787 326954394 /nfs/dbraw/zinc/95/43/94/326954394.db2.gz UXXNREKKJIGWQY-JKSUJKDBSA-N 1 2 363.527 2.173 20 70 FEIDLO COc1cccc([C@@H]2CN(C(=O)NCc3ccc[nH+]c3N(C)C)CCO2)c1 ZINC000160244341 326958705 /nfs/dbraw/zinc/95/87/05/326958705.db2.gz YWWWRCUBPRHMOX-SFHVURJKSA-N 1 2 370.453 2.439 20 70 FEIDLO CCCn1c(C)nnc1CN1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000160476078 326967056 /nfs/dbraw/zinc/96/70/56/326967056.db2.gz QEYVEPLZBSYFFK-UHFFFAOYSA-N 1 2 373.501 2.332 20 70 FEIDLO CC(=O)NC1CCC([NH2+]c2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000161086918 326987344 /nfs/dbraw/zinc/98/73/44/326987344.db2.gz MGUDJIKWJRUIQR-UHFFFAOYSA-N 1 2 364.877 2.135 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccn(-c2ccccc2F)n1 ZINC000161226895 326992445 /nfs/dbraw/zinc/99/24/45/326992445.db2.gz MYLRDMANEGXFHW-AWEZNQCLSA-N 1 2 351.385 2.415 20 70 FEIDLO COc1ccccc1[C@@H](C)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161236090 326992663 /nfs/dbraw/zinc/99/26/63/326992663.db2.gz INPUHSJJWPSBSA-QGZVFWFLSA-N 1 2 368.481 2.085 20 70 FEIDLO CS[C@H](C)CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000161435649 326999167 /nfs/dbraw/zinc/99/91/67/326999167.db2.gz JOXGFZMPZOFEEK-OAHLLOKOSA-N 1 2 352.500 2.155 20 70 FEIDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161465731 327000247 /nfs/dbraw/zinc/00/02/47/327000247.db2.gz FGZREBGUGNJZOC-SMDDNHRTSA-N 1 2 355.364 2.359 20 70 FEIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000159474796 545956699 /nfs/dbraw/zinc/95/66/99/545956699.db2.gz WRQWJNMIOOKUIM-ZACQAIPSSA-N 1 2 363.477 2.140 20 70 FEIDLO C[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(C)(CO)CO ZINC000159532599 545961504 /nfs/dbraw/zinc/96/15/04/545961504.db2.gz BUXXRQCQGOGTFD-UHFFFAOYSA-N 1 2 372.465 2.127 20 70 FEIDLO C[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)CC(C)(CO)CO ZINC000159532599 545961507 /nfs/dbraw/zinc/96/15/07/545961507.db2.gz BUXXRQCQGOGTFD-UHFFFAOYSA-N 1 2 372.465 2.127 20 70 FEIDLO C[C@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)O1 ZINC000159635200 545969738 /nfs/dbraw/zinc/96/97/38/545969738.db2.gz GOTKOPMDURDSTK-KFKAGJAMSA-N 1 2 354.454 2.378 20 70 FEIDLO C[C@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)O1 ZINC000159635200 545969745 /nfs/dbraw/zinc/96/97/45/545969745.db2.gz GOTKOPMDURDSTK-KFKAGJAMSA-N 1 2 354.454 2.378 20 70 FEIDLO Cc1cc(C)n(CCCNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000159753202 545977877 /nfs/dbraw/zinc/97/78/77/545977877.db2.gz WMEBPEQTCIWPKI-KRWDZBQOSA-N 1 2 356.474 2.253 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000160044794 546003127 /nfs/dbraw/zinc/00/31/27/546003127.db2.gz NCPOFNPXZINTQJ-HNNXBMFYSA-N 1 2 350.463 2.116 20 70 FEIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000160061791 546004799 /nfs/dbraw/zinc/00/47/99/546004799.db2.gz HAJVTAACVARDAU-OAHLLOKOSA-N 1 2 351.516 2.254 20 70 FEIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000160061791 546004800 /nfs/dbraw/zinc/00/48/00/546004800.db2.gz HAJVTAACVARDAU-OAHLLOKOSA-N 1 2 351.516 2.254 20 70 FEIDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000160109738 546007783 /nfs/dbraw/zinc/00/77/83/546007783.db2.gz MTQAFJWVIBYISK-GOSISDBHSA-N 1 2 356.470 2.164 20 70 FEIDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)[C@H]2CCCCO2)CC1 ZINC000160109738 546007787 /nfs/dbraw/zinc/00/77/87/546007787.db2.gz MTQAFJWVIBYISK-GOSISDBHSA-N 1 2 356.470 2.164 20 70 FEIDLO C[C@H](O)C1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000160117195 546008907 /nfs/dbraw/zinc/00/89/07/546008907.db2.gz ZHRYUFOMIKQHGQ-LRDDRELGSA-N 1 2 355.429 2.370 20 70 FEIDLO CC(C)Cn1cc(NC(=O)C(=O)Nc2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000160430105 546039492 /nfs/dbraw/zinc/03/94/92/546039492.db2.gz FCEPGQIHRIPHRU-UHFFFAOYSA-N 1 2 352.398 2.302 20 70 FEIDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000160617082 546057129 /nfs/dbraw/zinc/05/71/29/546057129.db2.gz GNDLMDRWKZJCQH-CQSZACIVSA-N 1 2 356.344 2.260 20 70 FEIDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000160617082 546057133 /nfs/dbraw/zinc/05/71/33/546057133.db2.gz GNDLMDRWKZJCQH-CQSZACIVSA-N 1 2 356.344 2.260 20 70 FEIDLO OC[C@@H]1CCCN(c2cc(N3CCN(c4cccs4)CC3)nc[nH+]2)C1 ZINC000160667668 546061828 /nfs/dbraw/zinc/06/18/28/546061828.db2.gz PGFCAXSOVBTVIZ-OAHLLOKOSA-N 1 2 359.499 2.073 20 70 FEIDLO OC[C@@H]1CCCN(c2cc(N3CCN(c4cccs4)CC3)[nH+]cn2)C1 ZINC000160667668 546061833 /nfs/dbraw/zinc/06/18/33/546061833.db2.gz PGFCAXSOVBTVIZ-OAHLLOKOSA-N 1 2 359.499 2.073 20 70 FEIDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2=O)cc1 ZINC000160745654 546067910 /nfs/dbraw/zinc/06/79/10/546067910.db2.gz MNBKZMRGBOMEIW-ZBFHGGJFSA-N 1 2 352.438 2.450 20 70 FEIDLO Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000160753114 546069271 /nfs/dbraw/zinc/06/92/71/546069271.db2.gz DEEXXISXTAAJEO-HOCLYGCPSA-N 1 2 363.849 2.267 20 70 FEIDLO Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000160753114 546069276 /nfs/dbraw/zinc/06/92/76/546069276.db2.gz DEEXXISXTAAJEO-HOCLYGCPSA-N 1 2 363.849 2.267 20 70 FEIDLO O=C(NCc1ccn(C2CCCC2)n1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160836379 546076405 /nfs/dbraw/zinc/07/64/05/546076405.db2.gz JGEIPSMNYVNBDC-UHFFFAOYSA-N 1 2 368.485 2.421 20 70 FEIDLO Cc1cc(Cl)ncc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000160951227 546088077 /nfs/dbraw/zinc/08/80/77/546088077.db2.gz OFIOCNAMQHJLGN-UHFFFAOYSA-N 1 2 361.833 2.385 20 70 FEIDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161061750 546096962 /nfs/dbraw/zinc/09/69/62/546096962.db2.gz SIUJAUGZYQANIC-ACJLOTCBSA-N 1 2 366.483 2.490 20 70 FEIDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161061750 546096970 /nfs/dbraw/zinc/09/69/70/546096970.db2.gz SIUJAUGZYQANIC-ACJLOTCBSA-N 1 2 366.483 2.490 20 70 FEIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccnn1C ZINC000161125249 546101597 /nfs/dbraw/zinc/10/15/97/546101597.db2.gz ZVOKWQIFALFUMY-INIZCTEOSA-N 1 2 359.426 2.100 20 70 FEIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccnn1C ZINC000161125249 546101601 /nfs/dbraw/zinc/10/16/01/546101601.db2.gz ZVOKWQIFALFUMY-INIZCTEOSA-N 1 2 359.426 2.100 20 70 FEIDLO Cc1nn(C)c(=O)c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c1C ZINC000161229018 546111586 /nfs/dbraw/zinc/11/15/86/546111586.db2.gz CRZUSLWKLITDAX-UHFFFAOYSA-N 1 2 361.471 2.092 20 70 FEIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161257469 546114440 /nfs/dbraw/zinc/11/44/40/546114440.db2.gz ZRDWTXDCOZRYIM-OAHLLOKOSA-N 1 2 355.438 2.258 20 70 FEIDLO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161416408 546128457 /nfs/dbraw/zinc/12/84/57/546128457.db2.gz XHMFCVIAERYJBN-XJKSGUPXSA-N 1 2 358.404 2.369 20 70 FEIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)s1 ZINC000159475556 326932857 /nfs/dbraw/zinc/93/28/57/326932857.db2.gz PXNBOLQHXKHQIK-UHFFFAOYSA-N 1 2 360.545 2.344 20 70 FEIDLO Cc1noc(Cl)c1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000159596788 326936515 /nfs/dbraw/zinc/93/65/15/326936515.db2.gz KUTHXZIRDMSOBO-MRXNPFEDSA-N 1 2 363.845 2.369 20 70 FEIDLO NC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000159997884 326949981 /nfs/dbraw/zinc/94/99/81/326949981.db2.gz MWKVLPSUQAQOHP-ZDUSSCGKSA-N 1 2 359.289 2.041 20 70 FEIDLO COc1ccc(CN(C(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000160013619 326950608 /nfs/dbraw/zinc/95/06/08/326950608.db2.gz JSNYDZGMRHNQQK-UHFFFAOYSA-N 1 2 364.511 2.252 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160130059 326954261 /nfs/dbraw/zinc/95/42/61/326954261.db2.gz KDFIQQXIRCRWNQ-UHFFFAOYSA-N 1 2 365.449 2.385 20 70 FEIDLO Cc1nc([C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160871082 326980233 /nfs/dbraw/zinc/98/02/33/326980233.db2.gz NHQOUONTMZWBDE-ABAIWWIYSA-N 1 2 358.377 2.191 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000161034446 326985795 /nfs/dbraw/zinc/98/57/95/326985795.db2.gz GEGPJYAIYASJBM-IBGZPJMESA-N 1 2 361.461 2.249 20 70 FEIDLO Cn1cnc(-c2ccc(NC(=O)NCc3cccnc3-n3cc[nH+]c3)cc2)n1 ZINC000161065860 326986917 /nfs/dbraw/zinc/98/69/17/326986917.db2.gz NURTUQWDYPUEFD-UHFFFAOYSA-N 1 2 374.408 2.385 20 70 FEIDLO CC1(C)C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000161212024 326991952 /nfs/dbraw/zinc/99/19/52/326991952.db2.gz PUHCFPGDWUZUPF-GOSISDBHSA-N 1 2 361.486 2.276 20 70 FEIDLO CSc1nc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c2ccccn21 ZINC000161429376 326999226 /nfs/dbraw/zinc/99/92/26/326999226.db2.gz LILFQYXHYJMDQB-CYBMUJFWSA-N 1 2 353.451 2.460 20 70 FEIDLO COc1cccc2c1OCC(C(=O)NCc1ccnc(-n3cc[nH+]c3)c1)=C2 ZINC000161460795 327000070 /nfs/dbraw/zinc/00/00/70/327000070.db2.gz PLRQLKPCLGZHBO-UHFFFAOYSA-N 1 2 362.389 2.368 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)CCCC1 ZINC000159395145 545950215 /nfs/dbraw/zinc/95/02/15/545950215.db2.gz RAZXQFUDJCCGCH-UHFFFAOYSA-N 1 2 369.465 2.470 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCc3[nH]c4ccccc4c3C2)CCCC1 ZINC000159395145 545950222 /nfs/dbraw/zinc/95/02/22/545950222.db2.gz RAZXQFUDJCCGCH-UHFFFAOYSA-N 1 2 369.465 2.470 20 70 FEIDLO Cc1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159443226 545953850 /nfs/dbraw/zinc/95/38/50/545953850.db2.gz XEVJSTSSQPTIPY-SCTDSRPQSA-N 1 2 361.438 2.152 20 70 FEIDLO Cc1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159443226 545953852 /nfs/dbraw/zinc/95/38/52/545953852.db2.gz XEVJSTSSQPTIPY-SCTDSRPQSA-N 1 2 361.438 2.152 20 70 FEIDLO Cc1cc(NC2CCC(C(=O)NC(N)=O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000159570478 545963119 /nfs/dbraw/zinc/96/31/19/545963119.db2.gz ASCHXWKYHZCKEK-UHFFFAOYSA-N 1 2 354.414 2.013 20 70 FEIDLO COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159826715 545984054 /nfs/dbraw/zinc/98/40/54/545984054.db2.gz XNOSSDPEZANQHT-HUUCEWRRSA-N 1 2 352.500 2.326 20 70 FEIDLO COc1ccc([C@@H]2CCCN2C(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159945137 545994240 /nfs/dbraw/zinc/99/42/40/545994240.db2.gz ZDPPCWDVSGHNHL-SFHVURJKSA-N 1 2 364.511 2.424 20 70 FEIDLO O=C(NCC[N@@H+]1CCc2sccc2C1)c1cnc(C(F)(F)F)nc1 ZINC000160257259 546022709 /nfs/dbraw/zinc/02/27/09/546022709.db2.gz ZUABBEFAYLUSMO-UHFFFAOYSA-N 1 2 356.373 2.345 20 70 FEIDLO O=C(NCC[N@H+]1CCc2sccc2C1)c1cnc(C(F)(F)F)nc1 ZINC000160257259 546022714 /nfs/dbraw/zinc/02/27/14/546022714.db2.gz ZUABBEFAYLUSMO-UHFFFAOYSA-N 1 2 356.373 2.345 20 70 FEIDLO CCO[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C12CCC2 ZINC000160376517 546034797 /nfs/dbraw/zinc/03/47/97/546034797.db2.gz BAAQWIJEPLBTCV-MSOLQXFVSA-N 1 2 358.486 2.257 20 70 FEIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000160415214 546038250 /nfs/dbraw/zinc/03/82/50/546038250.db2.gz WCPYVAMZKOTOOI-WMZOPIPTSA-N 1 2 358.486 2.044 20 70 FEIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000160415214 546038257 /nfs/dbraw/zinc/03/82/57/546038257.db2.gz WCPYVAMZKOTOOI-WMZOPIPTSA-N 1 2 358.486 2.044 20 70 FEIDLO O=C([C@H]1CCCCO1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000160460890 546043660 /nfs/dbraw/zinc/04/36/60/546043660.db2.gz QAXHNTCLNVYMLI-QGZVFWFLSA-N 1 2 352.862 2.432 20 70 FEIDLO CCO[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C12CCC2 ZINC000160710253 546065332 /nfs/dbraw/zinc/06/53/32/546065332.db2.gz NFDYEABWCGOMOT-CVEARBPZSA-N 1 2 353.507 2.086 20 70 FEIDLO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2cnc3ccccn23)cc1 ZINC000160873378 546080090 /nfs/dbraw/zinc/08/00/90/546080090.db2.gz RBWIYJFBUPLRGR-UHFFFAOYSA-N 1 2 358.467 2.053 20 70 FEIDLO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2cnc3ccccn23)cc1 ZINC000160873378 546080095 /nfs/dbraw/zinc/08/00/95/546080095.db2.gz RBWIYJFBUPLRGR-UHFFFAOYSA-N 1 2 358.467 2.053 20 70 FEIDLO O=C(NC1CC[NH+](Cc2ccccn2)CC1)c1cccc(-c2nnc[nH]2)c1 ZINC000160883717 546081236 /nfs/dbraw/zinc/08/12/36/546081236.db2.gz SJCYHXVINPEFBK-UHFFFAOYSA-N 1 2 362.437 2.261 20 70 FEIDLO CC1(C)C[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000161033245 546095165 /nfs/dbraw/zinc/09/51/65/546095165.db2.gz GSSBSOANOLINPH-HUUCEWRRSA-N 1 2 367.515 2.378 20 70 FEIDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 ZINC000161159696 546105655 /nfs/dbraw/zinc/10/56/55/546105655.db2.gz TVEZVXJNVRLUCO-PMPSAXMXSA-N 1 2 372.387 2.108 20 70 FEIDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 ZINC000161159696 546105661 /nfs/dbraw/zinc/10/56/61/546105661.db2.gz TVEZVXJNVRLUCO-PMPSAXMXSA-N 1 2 372.387 2.108 20 70 FEIDLO CC(=O)c1cccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161159870 546105843 /nfs/dbraw/zinc/10/58/43/546105843.db2.gz ZYEACCBLPWHYSJ-INIZCTEOSA-N 1 2 366.465 2.429 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC000161296446 546118262 /nfs/dbraw/zinc/11/82/62/546118262.db2.gz OVWWVOKHABUVKR-ZBFHGGJFSA-N 1 2 374.485 2.108 20 70 FEIDLO COc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc(OC)c1OC ZINC000218095184 548684812 /nfs/dbraw/zinc/68/48/12/548684812.db2.gz KKMDNGFKCAVHDC-CQSZACIVSA-N 1 2 357.410 2.116 20 70 FEIDLO Cc1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc(C)c1F ZINC000159478340 326932871 /nfs/dbraw/zinc/93/28/71/326932871.db2.gz OLYCJTKYCFMWMB-UHFFFAOYSA-N 1 2 372.506 2.421 20 70 FEIDLO C[C@@](O)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000159603338 326936471 /nfs/dbraw/zinc/93/64/71/326936471.db2.gz QRPDVZWAVDLCHX-LJQANCHMSA-N 1 2 360.433 2.108 20 70 FEIDLO c1cn(CCSc2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)c[nH+]1 ZINC000159755813 326941057 /nfs/dbraw/zinc/94/10/57/326941057.db2.gz LSILBUVPHIMNLD-HNNXBMFYSA-N 1 2 362.503 2.436 20 70 FEIDLO CCc1ccc([C@H](CO)NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160270523 326960024 /nfs/dbraw/zinc/96/00/24/326960024.db2.gz NXYFBWBHRUPFMQ-MSOLQXFVSA-N 1 2 354.454 2.256 20 70 FEIDLO COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160396097 326964129 /nfs/dbraw/zinc/96/41/29/326964129.db2.gz QGAUVLMVIYJLNT-RDJZCZTQSA-N 1 2 373.840 2.270 20 70 FEIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000160400917 326964612 /nfs/dbraw/zinc/96/46/12/326964612.db2.gz NHZDLALXLIUENU-NXEZZACHSA-N 1 2 352.236 2.495 20 70 FEIDLO Cc1noc(C)c1[C@H](C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160904173 326981664 /nfs/dbraw/zinc/98/16/64/326981664.db2.gz QDKLHZPUKYYPOY-CQSZACIVSA-N 1 2 357.458 2.317 20 70 FEIDLO CCCCCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161060240 326986701 /nfs/dbraw/zinc/98/67/01/326986701.db2.gz WLMQZXHOFHHBKS-SJORKVTESA-N 1 2 360.502 2.381 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCSc2ccccc21 ZINC000161234988 326992840 /nfs/dbraw/zinc/99/28/40/326992840.db2.gz NSEBHHZKQMBNHQ-UHFFFAOYSA-N 1 2 368.506 2.338 20 70 FEIDLO O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161250976 326993235 /nfs/dbraw/zinc/99/32/35/326993235.db2.gz JNBJQDRVODRPTH-JTQLQIEISA-N 1 2 355.366 2.081 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N(C)CCOc2ccccc2F)CCCC1 ZINC000159414285 545950736 /nfs/dbraw/zinc/95/07/36/545950736.db2.gz CNFVMLPWLPQIAA-UHFFFAOYSA-N 1 2 366.433 2.081 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)CCOc2ccccc2F)CCCC1 ZINC000159414285 545950739 /nfs/dbraw/zinc/95/07/39/545950739.db2.gz CNFVMLPWLPQIAA-UHFFFAOYSA-N 1 2 366.433 2.081 20 70 FEIDLO CSCCCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000159459303 545955538 /nfs/dbraw/zinc/95/55/38/545955538.db2.gz GATVFBCHROZIKX-INIZCTEOSA-N 1 2 355.548 2.065 20 70 FEIDLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159485137 545957455 /nfs/dbraw/zinc/95/74/55/545957455.db2.gz JHGLLDLCYCGFIL-AQNXPRMDSA-N 1 2 373.497 2.144 20 70 FEIDLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159485137 545957457 /nfs/dbraw/zinc/95/74/57/545957457.db2.gz JHGLLDLCYCGFIL-AQNXPRMDSA-N 1 2 373.497 2.144 20 70 FEIDLO Cc1cnn(Cc2cc(C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)no2)c1 ZINC000159686949 545973755 /nfs/dbraw/zinc/97/37/55/545973755.db2.gz IPFHWCIBOYAMQS-OAHLLOKOSA-N 1 2 368.441 2.056 20 70 FEIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000159797747 545980801 /nfs/dbraw/zinc/98/08/01/545980801.db2.gz WTIUQBIRIYGCOO-YOEHRIQHSA-N 1 2 367.877 2.223 20 70 FEIDLO CC[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159947424 545993835 /nfs/dbraw/zinc/99/38/35/545993835.db2.gz NFFGEVSKJFFXCA-QGZVFWFLSA-N 1 2 366.527 2.153 20 70 FEIDLO CC[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159947424 545993838 /nfs/dbraw/zinc/99/38/38/545993838.db2.gz NFFGEVSKJFFXCA-QGZVFWFLSA-N 1 2 366.527 2.153 20 70 FEIDLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccsc1 ZINC000160214749 546018047 /nfs/dbraw/zinc/01/80/47/546018047.db2.gz LNEJMXSQJGZZGI-GJZGRUSLSA-N 1 2 373.544 2.007 20 70 FEIDLO Cc1cccc2nc(CNC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)[nH]c21 ZINC000160293842 546027524 /nfs/dbraw/zinc/02/75/24/546027524.db2.gz XLVXARLNPONDCY-SFHVURJKSA-N 1 2 364.449 2.389 20 70 FEIDLO Cc1cccc2nc(CNC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)[nH]c21 ZINC000160293842 546027527 /nfs/dbraw/zinc/02/75/27/546027527.db2.gz XLVXARLNPONDCY-SFHVURJKSA-N 1 2 364.449 2.389 20 70 FEIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000160391971 546036486 /nfs/dbraw/zinc/03/64/86/546036486.db2.gz IJHOXAVWRVXCFS-UHFFFAOYSA-N 1 2 368.363 2.190 20 70 FEIDLO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160411352 546038502 /nfs/dbraw/zinc/03/85/02/546038502.db2.gz YYKIXCZRBFHTQU-INIZCTEOSA-N 1 2 350.846 2.282 20 70 FEIDLO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160411352 546038505 /nfs/dbraw/zinc/03/85/05/546038505.db2.gz YYKIXCZRBFHTQU-INIZCTEOSA-N 1 2 350.846 2.282 20 70 FEIDLO O=C(N[C@@H]1CCO[C@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160565924 546052454 /nfs/dbraw/zinc/05/24/54/546052454.db2.gz HWVBDXMNUZQISC-UXHICEINSA-N 1 2 366.465 2.439 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)Cc3cnn(C)c3)nc(N)c21 ZINC000160810682 546074298 /nfs/dbraw/zinc/07/42/98/546074298.db2.gz IDHYPKXLBVTRPW-UHFFFAOYSA-N 1 2 372.429 2.046 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](CC)Cc3cnn(C)c3)nc(N)c21 ZINC000160810682 546074302 /nfs/dbraw/zinc/07/43/02/546074302.db2.gz IDHYPKXLBVTRPW-UHFFFAOYSA-N 1 2 372.429 2.046 20 70 FEIDLO Cc1c(NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160891144 546082063 /nfs/dbraw/zinc/08/20/63/546082063.db2.gz XVRSIEUHDXBIOV-OALUTQOASA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1c(NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160891144 546082066 /nfs/dbraw/zinc/08/20/66/546082066.db2.gz XVRSIEUHDXBIOV-OALUTQOASA-N 1 2 369.469 2.344 20 70 FEIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000160959747 546087815 /nfs/dbraw/zinc/08/78/15/546087815.db2.gz UZSJAACEFNDBSY-VQIMIIECSA-N 1 2 366.465 2.474 20 70 FEIDLO CCCOc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC ZINC000161017644 546092260 /nfs/dbraw/zinc/09/22/60/546092260.db2.gz FYLNDNQHVRAFPO-SFHVURJKSA-N 1 2 362.470 2.307 20 70 FEIDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CCc3[nH]nc(C(F)(F)F)c3C1)C2 ZINC000161101151 546100269 /nfs/dbraw/zinc/10/02/69/546100269.db2.gz MVUCOYZMDLRMTL-WDEREUQCSA-N 1 2 367.375 2.170 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161117393 546101546 /nfs/dbraw/zinc/10/15/46/546101546.db2.gz RTCINDPFFHBWAW-LSDHHAIUSA-N 1 2 362.474 2.209 20 70 FEIDLO C[C@H](c1ccccc1)N(C)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161202015 546109447 /nfs/dbraw/zinc/10/94/47/546109447.db2.gz MBNCCQVNHSXFIC-GOSISDBHSA-N 1 2 352.482 2.419 20 70 FEIDLO C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161202015 546109450 /nfs/dbraw/zinc/10/94/50/546109450.db2.gz MBNCCQVNHSXFIC-GOSISDBHSA-N 1 2 352.482 2.419 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cn(-c2ccccc2Cl)nn1 ZINC000161312184 546118952 /nfs/dbraw/zinc/11/89/52/546118952.db2.gz FEKYDGAHTAOCPR-CYBMUJFWSA-N 1 2 368.828 2.324 20 70 FEIDLO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)[nH+]cn1 ZINC000217113113 548680321 /nfs/dbraw/zinc/68/03/21/548680321.db2.gz SWTASYLTIQEKJA-DLBZAZTESA-N 1 2 358.417 2.155 20 70 FEIDLO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc[nH+]1 ZINC000217113113 548680327 /nfs/dbraw/zinc/68/03/27/548680327.db2.gz SWTASYLTIQEKJA-DLBZAZTESA-N 1 2 358.417 2.155 20 70 FEIDLO Cn1cc(N2CCC[C@H]([NH+]3CCN(c4ccc(Cl)cc4)CC3)C2=O)cn1 ZINC000159678479 326938916 /nfs/dbraw/zinc/93/89/16/326938916.db2.gz LYKRSPHLAZGFFW-SFHVURJKSA-N 1 2 373.888 2.391 20 70 FEIDLO CC(C)CCn1ccc(NC(=O)NCc2ccc[nH+]c2N2CCOCC2)n1 ZINC000159851296 326944078 /nfs/dbraw/zinc/94/40/78/326944078.db2.gz UBZJZQFZQLCILZ-UHFFFAOYSA-N 1 2 372.473 2.483 20 70 FEIDLO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000160602636 326971087 /nfs/dbraw/zinc/97/10/87/326971087.db2.gz LUVMOKFJWVEQBG-UHFFFAOYSA-N 1 2 372.396 2.278 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccn(CC(F)(F)F)n1 ZINC000160777102 326977157 /nfs/dbraw/zinc/97/71/57/326977157.db2.gz NNNZGSAYLGNSBB-UHFFFAOYSA-N 1 2 356.352 2.342 20 70 FEIDLO Cc1cccc([C@H](CNC(=O)NOCc2cccnc2)[NH+]2CCOCC2)c1 ZINC000161070778 326987215 /nfs/dbraw/zinc/98/72/15/326987215.db2.gz DUZJMSWOZKEDCP-IBGZPJMESA-N 1 2 370.453 2.194 20 70 FEIDLO COc1ccccc1N1CC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000161082183 326987565 /nfs/dbraw/zinc/98/75/65/326987565.db2.gz BWLBNOIARBYSQG-HNNXBMFYSA-N 1 2 350.422 2.281 20 70 FEIDLO COCCC1(CNC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000161135849 326989056 /nfs/dbraw/zinc/98/90/56/326989056.db2.gz HQJXZNOLHFJKST-UHFFFAOYSA-N 1 2 361.486 2.339 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000161276853 326994264 /nfs/dbraw/zinc/99/42/64/326994264.db2.gz FZZRJVQTHVQMRZ-WBVHZDCISA-N 1 2 354.385 2.109 20 70 FEIDLO CC(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000161385523 326997910 /nfs/dbraw/zinc/99/79/10/326997910.db2.gz FIGCKSZSOPZMJJ-KRWDZBQOSA-N 1 2 363.889 2.243 20 70 FEIDLO Cc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)c(Br)n1 ZINC000161464208 327000195 /nfs/dbraw/zinc/00/01/95/327000195.db2.gz WDKOWOCXKMSKDK-AWEZNQCLSA-N 1 2 370.291 2.239 20 70 FEIDLO CC(C)(C)[C@@H](CCO)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161505148 327001315 /nfs/dbraw/zinc/00/13/15/327001315.db2.gz XINAKFIWDHUIGJ-ZWKOTPCHSA-N 1 2 363.502 2.156 20 70 FEIDLO O[C@H](C[C@H]1COCC[N@H+]1C[C@H](O)COCc1cccs1)c1ccco1 ZINC000159444302 545953919 /nfs/dbraw/zinc/95/39/19/545953919.db2.gz FNESPQYTNHSPAV-YQQAZPJKSA-N 1 2 367.467 2.043 20 70 FEIDLO O[C@H](C[C@H]1COCC[N@@H+]1C[C@H](O)COCc1cccs1)c1ccco1 ZINC000159444302 545953921 /nfs/dbraw/zinc/95/39/21/545953921.db2.gz FNESPQYTNHSPAV-YQQAZPJKSA-N 1 2 367.467 2.043 20 70 FEIDLO O[C@H](C[C@@H]1COCC[N@H+]1C[C@H](O)COCc1cccs1)c1ccco1 ZINC000159444037 545954092 /nfs/dbraw/zinc/95/40/92/545954092.db2.gz FNESPQYTNHSPAV-HLLBOEOZSA-N 1 2 367.467 2.043 20 70 FEIDLO O[C@H](C[C@@H]1COCC[N@@H+]1C[C@H](O)COCc1cccs1)c1ccco1 ZINC000159444037 545954098 /nfs/dbraw/zinc/95/40/98/545954098.db2.gz FNESPQYTNHSPAV-HLLBOEOZSA-N 1 2 367.467 2.043 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159694230 545973498 /nfs/dbraw/zinc/97/34/98/545973498.db2.gz SFKPABXWIQATOT-PKOBYXMFSA-N 1 2 371.437 2.025 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159694230 545973500 /nfs/dbraw/zinc/97/35/00/545973500.db2.gz SFKPABXWIQATOT-PKOBYXMFSA-N 1 2 371.437 2.025 20 70 FEIDLO CCc1ccccc1Nc1nc(N)nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000159764490 545978837 /nfs/dbraw/zinc/97/88/37/545978837.db2.gz IMGICHWZNYWJAY-ZBFHGGJFSA-N 1 2 356.474 2.353 20 70 FEIDLO CCc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000159764490 545978841 /nfs/dbraw/zinc/97/88/41/545978841.db2.gz IMGICHWZNYWJAY-ZBFHGGJFSA-N 1 2 356.474 2.353 20 70 FEIDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160130282 546010519 /nfs/dbraw/zinc/01/05/19/546010519.db2.gz BZNFSGUXZUPCBV-INIZCTEOSA-N 1 2 371.441 2.076 20 70 FEIDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160130282 546010522 /nfs/dbraw/zinc/01/05/22/546010522.db2.gz BZNFSGUXZUPCBV-INIZCTEOSA-N 1 2 371.441 2.076 20 70 FEIDLO O=C(N[C@@H]1CCc2c1cccc2O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160399867 546037607 /nfs/dbraw/zinc/03/76/07/546037607.db2.gz QRVKVQMLWXAQTG-GOSISDBHSA-N 1 2 352.438 2.302 20 70 FEIDLO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160400008 546037726 /nfs/dbraw/zinc/03/77/26/546037726.db2.gz FOPKTKBGNPFHIV-JKSUJKDBSA-N 1 2 354.516 2.447 20 70 FEIDLO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1OC(C)C ZINC000160414682 546038367 /nfs/dbraw/zinc/03/83/67/546038367.db2.gz LAKBSSCYEQETDG-HNNXBMFYSA-N 1 2 370.515 2.029 20 70 FEIDLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1 ZINC000160594476 546054919 /nfs/dbraw/zinc/05/49/19/546054919.db2.gz GRCLZCFCPHPMSA-CYBMUJFWSA-N 1 2 367.877 2.385 20 70 FEIDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160585762 546055140 /nfs/dbraw/zinc/05/51/40/546055140.db2.gz HQUMKQPOCQXXBS-AZUAARDMSA-N 1 2 373.497 2.480 20 70 FEIDLO CCOC(=O)C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000160620244 546057077 /nfs/dbraw/zinc/05/70/77/546057077.db2.gz IFIPXZHZSUREFC-ZBFHGGJFSA-N 1 2 359.401 2.395 20 70 FEIDLO CCO[C@H](C)c1noc(CN2CCN(Cc3c[nH+]c4ccccn34)CC2)n1 ZINC000160819369 546075071 /nfs/dbraw/zinc/07/50/71/546075071.db2.gz XNGIEXNVDGKZET-OAHLLOKOSA-N 1 2 370.457 2.133 20 70 FEIDLO O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161250885 546113623 /nfs/dbraw/zinc/11/36/23/546113623.db2.gz JNBJQDRVODRPTH-SNVBAGLBSA-N 1 2 355.366 2.081 20 70 FEIDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000161294394 546118301 /nfs/dbraw/zinc/11/83/01/546118301.db2.gz SZBKGVPLXQIRTB-MAZHCROVSA-N 1 2 355.429 2.370 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccnn1CC1CCCCC1 ZINC000159775917 326941438 /nfs/dbraw/zinc/94/14/38/326941438.db2.gz GIZATGUFRFQPOD-UHFFFAOYSA-N 1 2 366.531 2.467 20 70 FEIDLO O=C(Nc1ccnn1Cc1ccccc1F)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160245155 326958725 /nfs/dbraw/zinc/95/87/25/326958725.db2.gz LQPGBFQRTOWTPO-INIZCTEOSA-N 1 2 373.432 2.009 20 70 FEIDLO O=C(NCc1cn2cc(Br)ccc2n1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160273031 326959907 /nfs/dbraw/zinc/95/99/07/326959907.db2.gz NHRIMGZRBLFMTF-LLVKDONJSA-N 1 2 374.242 2.172 20 70 FEIDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@@H]1CCOC2(CCCCC2)C1 ZINC000160351315 326962612 /nfs/dbraw/zinc/96/26/12/326962612.db2.gz FEGMXVSOIKZTQI-GOSISDBHSA-N 1 2 372.513 2.202 20 70 FEIDLO c1c(-c2cccnc2)nc2sc(N3CCC[C@H]3C[NH+]3CCOCC3)nn12 ZINC000160423937 326965143 /nfs/dbraw/zinc/96/51/43/326965143.db2.gz MNTJSSKORGIQRN-HNNXBMFYSA-N 1 2 370.482 2.154 20 70 FEIDLO COc1ccc(C2(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)CCOCC2)cc1 ZINC000160438543 326965803 /nfs/dbraw/zinc/96/58/03/326965803.db2.gz OQZJRVSNAWCSDE-INIZCTEOSA-N 1 2 369.465 2.319 20 70 FEIDLO COc1ccccc1N1CC[NH+]([C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000160949561 326983044 /nfs/dbraw/zinc/98/30/44/326983044.db2.gz YACVAUNOFYGYQB-HNNXBMFYSA-N 1 2 371.403 2.371 20 70 FEIDLO CC(C)[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccncc2)no1 ZINC000161136745 326989186 /nfs/dbraw/zinc/98/91/86/326989186.db2.gz UCUIRKDWJWTCAC-HOCLYGCPSA-N 1 2 366.425 2.404 20 70 FEIDLO CC[N@H+](CCc1nccs1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000159369050 545948152 /nfs/dbraw/zinc/94/81/52/545948152.db2.gz BVQDWVRMFWIXSK-UHFFFAOYSA-N 1 2 374.495 2.164 20 70 FEIDLO CC[N@@H+](CCc1nccs1)Cc1nnc2n1c1ccsc1c(=O)n2C ZINC000159369050 545948156 /nfs/dbraw/zinc/94/81/56/545948156.db2.gz BVQDWVRMFWIXSK-UHFFFAOYSA-N 1 2 374.495 2.164 20 70 FEIDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450480 545953828 /nfs/dbraw/zinc/95/38/28/545953828.db2.gz UMWCBNJLOBFJMN-FRRDWIJNSA-N 1 2 352.504 2.226 20 70 FEIDLO C[C@@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450480 545953830 /nfs/dbraw/zinc/95/38/30/545953830.db2.gz UMWCBNJLOBFJMN-FRRDWIJNSA-N 1 2 352.504 2.226 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000159787400 545980984 /nfs/dbraw/zinc/98/09/84/545980984.db2.gz CNNMFUGDTZDYHO-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000159787400 545980992 /nfs/dbraw/zinc/98/09/92/545980992.db2.gz CNNMFUGDTZDYHO-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000159818979 545982398 /nfs/dbraw/zinc/98/23/98/545982398.db2.gz VLUJHHOURCCVCG-SFHVURJKSA-N 1 2 368.433 2.226 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2OC)cc1 ZINC000159818979 545982402 /nfs/dbraw/zinc/98/24/02/545982402.db2.gz VLUJHHOURCCVCG-SFHVURJKSA-N 1 2 368.433 2.226 20 70 FEIDLO O=C(C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1)N1CCC(O)CC1 ZINC000159840553 545985576 /nfs/dbraw/zinc/98/55/76/545985576.db2.gz NTHWARHBJHSMPI-UHFFFAOYSA-N 1 2 355.438 2.140 20 70 FEIDLO Cc1cncc(/C=C/C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000159894606 545989093 /nfs/dbraw/zinc/98/90/93/545989093.db2.gz HRHRNXRUAKDBAZ-DUIUGDAFSA-N 1 2 351.450 2.420 20 70 FEIDLO Cc1cncc(/C=C/C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000159894606 545989095 /nfs/dbraw/zinc/98/90/95/545989095.db2.gz HRHRNXRUAKDBAZ-DUIUGDAFSA-N 1 2 351.450 2.420 20 70 FEIDLO CCc1ccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)cc1 ZINC000159920802 545991386 /nfs/dbraw/zinc/99/13/86/545991386.db2.gz HBYWMXSWDJJONN-SFHVURJKSA-N 1 2 371.525 2.337 20 70 FEIDLO O=C(c1ncn(-c2ccccc2)n1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000160534279 546050481 /nfs/dbraw/zinc/05/04/81/546050481.db2.gz BXJUZRXYQHYSDA-UHFFFAOYSA-N 1 2 365.412 2.364 20 70 FEIDLO COC[C@](C)(CC(=O)OC)[NH2+]Cc1nc2ccc(Br)cc2[nH]1 ZINC000160664075 546061903 /nfs/dbraw/zinc/06/19/03/546061903.db2.gz BWVSQPZJIWEONU-HNNXBMFYSA-N 1 2 370.247 2.383 20 70 FEIDLO Cn1cc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c(C(F)(F)F)n1 ZINC000160832078 546076443 /nfs/dbraw/zinc/07/64/43/546076443.db2.gz FHZYANHEPLXAOF-UHFFFAOYSA-N 1 2 356.352 2.182 20 70 FEIDLO O=C(Nc1ccc(-n2ccnn2)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160953012 546087847 /nfs/dbraw/zinc/08/78/47/546087847.db2.gz DCGIRXGUEKRJEK-MRXNPFEDSA-N 1 2 363.425 2.453 20 70 FEIDLO O=c1cc(CN2CC[NH+](Cc3ccncc3)CC2)nc2ccc(Cl)cn12 ZINC000161156214 546105383 /nfs/dbraw/zinc/10/53/83/546105383.db2.gz NWOAXMFPIQNUCA-UHFFFAOYSA-N 1 2 369.856 2.061 20 70 FEIDLO O=c1cc(C[NH+]2CCN(Cc3ccncc3)CC2)nc2ccc(Cl)cn12 ZINC000161156214 546105386 /nfs/dbraw/zinc/10/53/86/546105386.db2.gz NWOAXMFPIQNUCA-UHFFFAOYSA-N 1 2 369.856 2.061 20 70 FEIDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161185610 546108572 /nfs/dbraw/zinc/10/85/72/546108572.db2.gz TYYDVZIZOHBQEB-QGZVFWFLSA-N 1 2 370.472 2.086 20 70 FEIDLO C[C@H](C(=O)NCCc1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161185610 546108576 /nfs/dbraw/zinc/10/85/76/546108576.db2.gz TYYDVZIZOHBQEB-QGZVFWFLSA-N 1 2 370.472 2.086 20 70 FEIDLO Cn1ncc2c1nc[nH+]c2N[C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000161318712 546118878 /nfs/dbraw/zinc/11/88/78/546118878.db2.gz CSKZMPIHHZUUIA-MRXNPFEDSA-N 1 2 350.426 2.009 20 70 FEIDLO CC(C)(C)[C@@H](CCO)NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000161421224 546128590 /nfs/dbraw/zinc/12/85/90/546128590.db2.gz YSINFADUHPSEBT-GOSISDBHSA-N 1 2 363.502 2.115 20 70 FEIDLO COc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc(OC)c1OC ZINC000218095257 548685428 /nfs/dbraw/zinc/68/54/28/548685428.db2.gz KKMDNGFKCAVHDC-AWEZNQCLSA-N 1 2 357.410 2.116 20 70 FEIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159497150 326933444 /nfs/dbraw/zinc/93/34/44/326933444.db2.gz ZYPMONCADMZTGH-INIZCTEOSA-N 1 2 370.457 2.237 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159554049 326935117 /nfs/dbraw/zinc/93/51/17/326935117.db2.gz GUMNDVVXXDACDT-UHFFFAOYSA-N 1 2 354.385 2.173 20 70 FEIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1nnc(Cl)cc1C(N)=O ZINC000159726710 326940101 /nfs/dbraw/zinc/94/01/01/326940101.db2.gz JJYHXUDPSGTZDS-UHFFFAOYSA-N 1 2 356.817 2.110 20 70 FEIDLO Cc1ccc(C(=O)CC[NH+]2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000160123766 326954033 /nfs/dbraw/zinc/95/40/33/326954033.db2.gz HOQNPUIQTHAWDK-SFHVURJKSA-N 1 2 357.498 2.196 20 70 FEIDLO c1c(-c2cccnc2)nc2sc(N3CCC[C@@H]3C[NH+]3CCOCC3)nn12 ZINC000160423796 326965171 /nfs/dbraw/zinc/96/51/71/326965171.db2.gz MNTJSSKORGIQRN-OAHLLOKOSA-N 1 2 370.482 2.154 20 70 FEIDLO CCCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OC ZINC000161015809 326985096 /nfs/dbraw/zinc/98/50/96/326985096.db2.gz PPJZTBLHVCZEJR-GOSISDBHSA-N 1 2 362.470 2.307 20 70 FEIDLO CC(C)(C)S(=O)(=O)CC(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000161147317 326989710 /nfs/dbraw/zinc/98/97/10/326989710.db2.gz DVGUNOBSWIPXCG-UHFFFAOYSA-N 1 2 370.490 2.120 20 70 FEIDLO CCOc1ccccc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161147423 326989714 /nfs/dbraw/zinc/98/97/14/326989714.db2.gz BHBIAGZIVNSBDV-UHFFFAOYSA-N 1 2 354.454 2.237 20 70 FEIDLO O=C(Nc1ccccc1Cn1cncn1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161166273 326990254 /nfs/dbraw/zinc/99/02/54/326990254.db2.gz ZVBHPZISXKFBGA-INIZCTEOSA-N 1 2 363.425 2.122 20 70 FEIDLO CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161371884 326997346 /nfs/dbraw/zinc/99/73/46/326997346.db2.gz UGUAWXAPDXKSMS-QGZVFWFLSA-N 1 2 354.454 2.196 20 70 FEIDLO COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161476347 327000528 /nfs/dbraw/zinc/00/05/28/327000528.db2.gz JBGFBFKRRPAWTL-WBMJQRKESA-N 1 2 374.403 2.335 20 70 FEIDLO CCC(CC)n1nccc1C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000161492405 327000910 /nfs/dbraw/zinc/00/09/10/327000910.db2.gz FHBMVECOXKIKFK-UHFFFAOYSA-N 1 2 357.458 2.406 20 70 FEIDLO CC(C)(C)[C@H](CCO)NC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161505269 327001208 /nfs/dbraw/zinc/00/12/08/327001208.db2.gz XINAKFIWDHUIGJ-ROUUACIJSA-N 1 2 363.502 2.156 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000159413279 545950820 /nfs/dbraw/zinc/95/08/20/545950820.db2.gz PXCQOXYAPFJJHU-GFCCVEGCSA-N 1 2 350.381 2.205 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000159413279 545950823 /nfs/dbraw/zinc/95/08/23/545950823.db2.gz PXCQOXYAPFJJHU-GFCCVEGCSA-N 1 2 350.381 2.205 20 70 FEIDLO CCC(CC)(CC)CNC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000159757310 545978275 /nfs/dbraw/zinc/97/82/75/545978275.db2.gz PTZHAIZDZVMNJY-HNNXBMFYSA-N 1 2 352.523 2.197 20 70 FEIDLO COCCOc1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160077496 546005485 /nfs/dbraw/zinc/00/54/85/546005485.db2.gz PDBUCGWBRWNIJI-GOEBONIOSA-N 1 2 373.453 2.357 20 70 FEIDLO COCCOc1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160077768 546005783 /nfs/dbraw/zinc/00/57/83/546005783.db2.gz PDBUCGWBRWNIJI-HOCLYGCPSA-N 1 2 373.453 2.357 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000160119851 546009127 /nfs/dbraw/zinc/00/91/27/546009127.db2.gz HNIYQZMCPLCFRB-UHFFFAOYSA-N 1 2 368.503 2.092 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000160119851 546009132 /nfs/dbraw/zinc/00/91/32/546009132.db2.gz HNIYQZMCPLCFRB-UHFFFAOYSA-N 1 2 368.503 2.092 20 70 FEIDLO O=C(Nc1ccnn1Cc1ccccc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160245300 546021303 /nfs/dbraw/zinc/02/13/03/546021303.db2.gz LQPGBFQRTOWTPO-MRXNPFEDSA-N 1 2 373.432 2.009 20 70 FEIDLO Cc1nc2ccccn2c1C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000160874380 546080437 /nfs/dbraw/zinc/08/04/37/546080437.db2.gz WZMNNNDXDDHAJB-QGZVFWFLSA-N 1 2 356.470 2.246 20 70 FEIDLO Cc1nc2ccccn2c1C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000160874380 546080442 /nfs/dbraw/zinc/08/04/42/546080442.db2.gz WZMNNNDXDDHAJB-QGZVFWFLSA-N 1 2 356.470 2.246 20 70 FEIDLO CCCCn1ncc(C(=O)NCc2ccc[nH+]c2N2CCOCC2)c1C ZINC000160902523 546082878 /nfs/dbraw/zinc/08/28/78/546082878.db2.gz HZANRGIIKIYNPN-UHFFFAOYSA-N 1 2 357.458 2.153 20 70 FEIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000160959480 546087675 /nfs/dbraw/zinc/08/76/75/546087675.db2.gz UZSJAACEFNDBSY-APWZRJJASA-N 1 2 366.465 2.474 20 70 FEIDLO COc1cccc(-c2noc(CN3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000161193481 546108482 /nfs/dbraw/zinc/10/84/82/546108482.db2.gz VQIRJPKPKBODHV-UHFFFAOYSA-N 1 2 365.437 2.458 20 70 FEIDLO Cn1c2ccc(NC(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)cc2oc1=O ZINC000161194383 546108511 /nfs/dbraw/zinc/10/85/11/546108511.db2.gz LOJDEQNSOOXRHA-AWEZNQCLSA-N 1 2 367.409 2.317 20 70 FEIDLO O=S(=O)(CC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161208264 546109251 /nfs/dbraw/zinc/10/92/51/546109251.db2.gz CJUZJMNUICIOBV-AWEZNQCLSA-N 1 2 351.390 2.096 20 70 FEIDLO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161225116 546112105 /nfs/dbraw/zinc/11/21/05/546112105.db2.gz NUXBOSCBQJOTMN-INIZCTEOSA-N 1 2 373.478 2.272 20 70 FEIDLO COc1ccc(C[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000161440591 546129228 /nfs/dbraw/zinc/12/92/28/546129228.db2.gz JPMHHRKATZLUGP-CQSZACIVSA-N 1 2 358.891 2.349 20 70 FEIDLO COc1ccc(C[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000161440591 546129232 /nfs/dbraw/zinc/12/92/32/546129232.db2.gz JPMHHRKATZLUGP-CQSZACIVSA-N 1 2 358.891 2.349 20 70 FEIDLO CC(C)COC[C@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161432006 546129470 /nfs/dbraw/zinc/12/94/70/546129470.db2.gz JHVJURPVOCPERC-QGZVFWFLSA-N 1 2 354.878 2.018 20 70 FEIDLO CC(C)COC[C@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161432006 546129473 /nfs/dbraw/zinc/12/94/73/546129473.db2.gz JHVJURPVOCPERC-QGZVFWFLSA-N 1 2 354.878 2.018 20 70 FEIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000159373568 326929378 /nfs/dbraw/zinc/92/93/78/326929378.db2.gz GBJFKRQUCTTYBZ-LBPRGKRZSA-N 1 2 355.822 2.431 20 70 FEIDLO CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159478666 326932868 /nfs/dbraw/zinc/93/28/68/326932868.db2.gz ZOTDOXGAPXOMOK-CVEARBPZSA-N 1 2 363.506 2.079 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(Cl)c1 ZINC000159484872 326933179 /nfs/dbraw/zinc/93/31/79/326933179.db2.gz YUNNUBZNTINIHV-UHFFFAOYSA-N 1 2 360.907 2.319 20 70 FEIDLO O=C(CNC(=O)CC1CCCC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000159592927 326936212 /nfs/dbraw/zinc/93/62/12/326936212.db2.gz IBARYHMIWRKPRV-UHFFFAOYSA-N 1 2 354.454 2.244 20 70 FEIDLO CC(C)Oc1ccc(CCNC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159813787 326942902 /nfs/dbraw/zinc/94/29/02/326942902.db2.gz DQPQDJYGZSMGFR-UHFFFAOYSA-N 1 2 366.527 2.198 20 70 FEIDLO C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161185851 326991088 /nfs/dbraw/zinc/99/10/88/326991088.db2.gz ZGIKUMSLGTXJTF-CQSZACIVSA-N 1 2 359.861 2.275 20 70 FEIDLO Cc1ccccc1-c1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)n(CCO)n1 ZINC000161213710 326991937 /nfs/dbraw/zinc/99/19/37/326991937.db2.gz SCTMBFUJBCFROT-OAHLLOKOSA-N 1 2 365.437 2.248 20 70 FEIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N1CCC(c2ccccc2)=N1 ZINC000161468080 327000473 /nfs/dbraw/zinc/00/04/73/327000473.db2.gz CNAMDHWYWAJGMC-KRWDZBQOSA-N 1 2 369.387 2.258 20 70 FEIDLO CC(C)C[C@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161500155 327001173 /nfs/dbraw/zinc/00/11/73/327001173.db2.gz WBOOSAUTOODBNM-ZBFHGGJFSA-N 1 2 367.515 2.471 20 70 FEIDLO O[C@H](COCc1cccs1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159444470 545954174 /nfs/dbraw/zinc/95/41/74/545954174.db2.gz FNESPQYTNHSPAV-ZOBUZTSGSA-N 1 2 367.467 2.043 20 70 FEIDLO O[C@H](COCc1cccs1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159444470 545954178 /nfs/dbraw/zinc/95/41/78/545954178.db2.gz FNESPQYTNHSPAV-ZOBUZTSGSA-N 1 2 367.467 2.043 20 70 FEIDLO COCCOCCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159648849 545970565 /nfs/dbraw/zinc/97/05/65/545970565.db2.gz XCCUYTMWDDGTNC-OAHLLOKOSA-N 1 2 355.504 2.189 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000159842331 545985275 /nfs/dbraw/zinc/98/52/75/545985275.db2.gz GLAFVBSNHCRATM-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000159842331 545985279 /nfs/dbraw/zinc/98/52/79/545985279.db2.gz GLAFVBSNHCRATM-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO CC(C)OC(=O)CCCNc1[nH+]cnc2c1c(Br)nn2C ZINC000160261004 546022777 /nfs/dbraw/zinc/02/27/77/546022777.db2.gz VCWIPIMQRONLAN-UHFFFAOYSA-N 1 2 356.224 2.270 20 70 FEIDLO O=C(NC1CCC2(CC1)OCCO2)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160258483 546022818 /nfs/dbraw/zinc/02/28/18/546022818.db2.gz DYFFBWPXXNLAAB-MRXNPFEDSA-N 1 2 360.458 2.035 20 70 FEIDLO O=S(=O)(Cc1c(F)cccc1F)NCCc1cn2c([nH+]1)CCCC2 ZINC000160470432 546044013 /nfs/dbraw/zinc/04/40/13/546044013.db2.gz BYUSXUFPOFPZCZ-UHFFFAOYSA-N 1 2 355.410 2.160 20 70 FEIDLO C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160512794 546048190 /nfs/dbraw/zinc/04/81/90/546048190.db2.gz VVVUQFGTESCGCC-CYBMUJFWSA-N 1 2 355.276 2.343 20 70 FEIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705521 546065421 /nfs/dbraw/zinc/06/54/21/546065421.db2.gz BBFAWVJDYOVSST-CSMYWGQOSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705521 546065423 /nfs/dbraw/zinc/06/54/23/546065423.db2.gz BBFAWVJDYOVSST-CSMYWGQOSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705521 546065427 /nfs/dbraw/zinc/06/54/27/546065427.db2.gz BBFAWVJDYOVSST-CSMYWGQOSA-N 1 2 363.412 2.294 20 70 FEIDLO COC(=O)c1ccc(F)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160766053 546070232 /nfs/dbraw/zinc/07/02/32/546070232.db2.gz LJHVMDVDHJWCHS-ZDUSSCGKSA-N 1 2 358.373 2.408 20 70 FEIDLO Cc1nc([C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160870701 546079944 /nfs/dbraw/zinc/07/99/44/546079944.db2.gz NHQOUONTMZWBDE-XHDPSFHLSA-N 1 2 358.377 2.191 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCS[C@H](C)C3)nc(N)c21 ZINC000160913245 546084405 /nfs/dbraw/zinc/08/44/05/546084405.db2.gz WVEVDWSGMNFSFG-SECBINFHSA-N 1 2 350.444 2.227 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCS[C@H](C)C3)nc(N)c21 ZINC000160913245 546084410 /nfs/dbraw/zinc/08/44/10/546084410.db2.gz WVEVDWSGMNFSFG-SECBINFHSA-N 1 2 350.444 2.227 20 70 FEIDLO CCOCCC1(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161113009 546100353 /nfs/dbraw/zinc/10/03/53/546100353.db2.gz VXBQPLRHQOSACO-SJORKVTESA-N 1 2 355.523 2.382 20 70 FEIDLO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000161136457 546103191 /nfs/dbraw/zinc/10/31/91/546103191.db2.gz ZELFBQHCVZNLOQ-ICSRJNTNSA-N 1 2 369.465 2.465 20 70 FEIDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161292605 546116943 /nfs/dbraw/zinc/11/69/43/546116943.db2.gz ZIWLICIBGPAQBG-GWCFXTLKSA-N 1 2 350.406 2.388 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161425458 546127847 /nfs/dbraw/zinc/12/78/47/546127847.db2.gz IKQWEPQOJPQLGC-HNNXBMFYSA-N 1 2 352.394 2.047 20 70 FEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)s1 ZINC000159582885 326936057 /nfs/dbraw/zinc/93/60/57/326936057.db2.gz COWSPWVZTHCYNC-UHFFFAOYSA-N 1 2 368.528 2.033 20 70 FEIDLO CCOC(=O)CCN(Cc1cccnc1)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160691979 326973885 /nfs/dbraw/zinc/97/38/85/326973885.db2.gz WOBHOULMRHIXNV-UHFFFAOYSA-N 1 2 372.473 2.416 20 70 FEIDLO O=C(NCC[NH+]1CCOCC1)Nc1cc(CC2CC2)nn1-c1ccccc1 ZINC000161007822 326984886 /nfs/dbraw/zinc/98/48/86/326984886.db2.gz VOZNGPBYIPLOAP-UHFFFAOYSA-N 1 2 369.469 2.279 20 70 FEIDLO COc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1OC(C)C ZINC000161017541 326985094 /nfs/dbraw/zinc/98/50/94/326985094.db2.gz YYNCNNDAPXKMPI-GOSISDBHSA-N 1 2 362.470 2.306 20 70 FEIDLO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161476223 327000454 /nfs/dbraw/zinc/00/04/54/327000454.db2.gz JBGFBFKRRPAWTL-LRDDRELGSA-N 1 2 374.403 2.335 20 70 FEIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCCc1ccc(F)cc1 ZINC000161495028 327000958 /nfs/dbraw/zinc/00/09/58/327000958.db2.gz OSXOOXBLVYXYAX-INIZCTEOSA-N 1 2 362.367 2.120 20 70 FEIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC(=O)NC1CCCCC1 ZINC000159454634 545955109 /nfs/dbraw/zinc/95/51/09/545955109.db2.gz FDARZYBGRVKCQZ-NRFANRHFSA-N 1 2 371.481 2.319 20 70 FEIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)NC(=O)NC1CCCCC1 ZINC000159454634 545955113 /nfs/dbraw/zinc/95/51/13/545955113.db2.gz FDARZYBGRVKCQZ-NRFANRHFSA-N 1 2 371.481 2.319 20 70 FEIDLO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000159504174 545959829 /nfs/dbraw/zinc/95/98/29/545959829.db2.gz FNQQQCNNWNZIHY-WFASDCNBSA-N 1 2 352.456 2.214 20 70 FEIDLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)nc2c1 ZINC000159504174 545959833 /nfs/dbraw/zinc/95/98/33/545959833.db2.gz FNQQQCNNWNZIHY-WFASDCNBSA-N 1 2 352.456 2.214 20 70 FEIDLO Cc1noc(C)c1C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160333852 546030757 /nfs/dbraw/zinc/03/07/57/546030757.db2.gz RHDJRLTVIJONHO-AWEZNQCLSA-N 1 2 357.458 2.145 20 70 FEIDLO COc1ccc(SCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)cc1 ZINC000160431937 546040626 /nfs/dbraw/zinc/04/06/26/546040626.db2.gz ZQPPPIKPVLLFSC-MRXNPFEDSA-N 1 2 350.484 2.157 20 70 FEIDLO COc1ccc(SCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)cc1 ZINC000160431937 546040632 /nfs/dbraw/zinc/04/06/32/546040632.db2.gz ZQPPPIKPVLLFSC-MRXNPFEDSA-N 1 2 350.484 2.157 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000160746537 546068121 /nfs/dbraw/zinc/06/81/21/546068121.db2.gz LOMJBQGSTRYKHC-QWHCGFSZSA-N 1 2 364.515 2.354 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000160746537 546068123 /nfs/dbraw/zinc/06/81/23/546068123.db2.gz LOMJBQGSTRYKHC-QWHCGFSZSA-N 1 2 364.515 2.354 20 70 FEIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1cnc2cnccn12 ZINC000160939680 546086493 /nfs/dbraw/zinc/08/64/93/546086493.db2.gz SDTZFPCNCZFELY-UHFFFAOYSA-N 1 2 359.817 2.462 20 70 FEIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000160939680 546086497 /nfs/dbraw/zinc/08/64/97/546086497.db2.gz SDTZFPCNCZFELY-UHFFFAOYSA-N 1 2 359.817 2.462 20 70 FEIDLO COc1ccc(S(=O)(=O)N2CC(Nc3cc[nH+]c(C(C)C)n3)C2)cc1 ZINC000160941503 546086839 /nfs/dbraw/zinc/08/68/39/546086839.db2.gz AYWLRFHLQYYUTJ-UHFFFAOYSA-N 1 2 362.455 2.094 20 70 FEIDLO CC(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161140879 546104024 /nfs/dbraw/zinc/10/40/24/546104024.db2.gz WVBVDGFVLSSDJA-UHFFFAOYSA-N 1 2 352.438 2.041 20 70 FEIDLO CC1(O)CC[NH+](CCS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000161195247 546107828 /nfs/dbraw/zinc/10/78/28/546107828.db2.gz JRWDCSBYEDIEDS-UHFFFAOYSA-N 1 2 362.289 2.070 20 70 FEIDLO COc1ccccc1CN(C)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161236056 546112389 /nfs/dbraw/zinc/11/23/89/546112389.db2.gz LTIIPNJMHSJTQA-KRWDZBQOSA-N 1 2 374.403 2.289 20 70 FEIDLO C[C@H](C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1)C1CCOCC1 ZINC000161429583 546129506 /nfs/dbraw/zinc/12/95/06/546129506.db2.gz FXDJBXRBBFELKF-INIZCTEOSA-N 1 2 373.497 2.268 20 70 FEIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000159456057 326931999 /nfs/dbraw/zinc/93/19/99/326931999.db2.gz ZMUDBWTXTYVNIM-SQNIBIBYSA-N 1 2 368.485 2.359 20 70 FEIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000159473102 326932776 /nfs/dbraw/zinc/93/27/76/326932776.db2.gz GWZQSXCLBUEXEQ-AWEZNQCLSA-N 1 2 364.465 2.129 20 70 FEIDLO COc1ccc(N(C)C(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1F ZINC000159569562 326935561 /nfs/dbraw/zinc/93/55/61/326935561.db2.gz JCVZWWYFUUZZTK-UHFFFAOYSA-N 1 2 360.433 2.443 20 70 FEIDLO CC(C)c1noc(CCCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000159877594 326945349 /nfs/dbraw/zinc/94/53/49/326945349.db2.gz JRDGGYAQCJKIDV-UHFFFAOYSA-N 1 2 372.473 2.048 20 70 FEIDLO CC[C@@H](C)OCC(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1 ZINC000160204692 326957185 /nfs/dbraw/zinc/95/71/85/326957185.db2.gz YHXXKMHCFQBLAR-OAHLLOKOSA-N 1 2 350.459 2.163 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000161015877 326985053 /nfs/dbraw/zinc/98/50/53/326985053.db2.gz POJRFNPQGFYZDM-HOCLYGCPSA-N 1 2 374.485 2.202 20 70 FEIDLO CCCCN1CCc2ccc(NC(=O)C(=O)NCCCn3cc[nH+]c3)cc21 ZINC000161023768 326985469 /nfs/dbraw/zinc/98/54/69/326985469.db2.gz AKDXAGJYVMKWRQ-UHFFFAOYSA-N 1 2 369.469 2.191 20 70 FEIDLO CC1(C)C[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000161033362 326985685 /nfs/dbraw/zinc/98/56/85/326985685.db2.gz GSSBSOANOLINPH-LSDHHAIUSA-N 1 2 367.515 2.378 20 70 FEIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)N[C@@H]1CCOc2ccccc21 ZINC000161464713 327000147 /nfs/dbraw/zinc/00/01/47/327000147.db2.gz XXSFXYXOGXMPKU-PBHICJAKSA-N 1 2 372.387 2.262 20 70 FEIDLO CCOC(=O)C1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCOCC2)CCC1 ZINC000159759677 545978470 /nfs/dbraw/zinc/97/84/70/545978470.db2.gz DWECBTOPBKLPMC-GOSISDBHSA-N 1 2 374.481 2.218 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000159787868 545981142 /nfs/dbraw/zinc/98/11/42/545981142.db2.gz CPOUAKSXCMHGEW-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000159787868 545981146 /nfs/dbraw/zinc/98/11/46/545981146.db2.gz CPOUAKSXCMHGEW-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159830882 545983874 /nfs/dbraw/zinc/98/38/74/545983874.db2.gz LEHZQYBTSPWPPO-UHFFFAOYSA-N 1 2 355.442 2.232 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159895882 545989415 /nfs/dbraw/zinc/98/94/15/545989415.db2.gz YHBLAEBARWXDEZ-SNVBAGLBSA-N 1 2 367.375 2.311 20 70 FEIDLO Cn1c2cccc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c2oc1=O ZINC000160065821 546004690 /nfs/dbraw/zinc/00/46/90/546004690.db2.gz GLAWTXZRHQFEQI-UHFFFAOYSA-N 1 2 366.421 2.447 20 70 FEIDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(F)cc(F)c1 ZINC000160251474 546022925 /nfs/dbraw/zinc/02/29/25/546022925.db2.gz XDRCFXHYVUPHIS-UHFFFAOYSA-N 1 2 374.391 2.427 20 70 FEIDLO CC[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160370680 546034212 /nfs/dbraw/zinc/03/42/12/546034212.db2.gz IVMOLMPLIXQSBJ-DOTOQJQBSA-N 1 2 374.485 2.250 20 70 FEIDLO CCc1ccc([C@H](COC)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000160373332 546034873 /nfs/dbraw/zinc/03/48/73/546034873.db2.gz FFEQXEZIXAQJTF-SFHVURJKSA-N 1 2 372.469 2.452 20 70 FEIDLO O=C1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)CCN1 ZINC000160471941 546043808 /nfs/dbraw/zinc/04/38/08/546043808.db2.gz QGVWGWHATKJNSW-UHFFFAOYSA-N 1 2 350.216 2.426 20 70 FEIDLO O=C1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)CCN1 ZINC000160471941 546043812 /nfs/dbraw/zinc/04/38/12/546043812.db2.gz QGVWGWHATKJNSW-UHFFFAOYSA-N 1 2 350.216 2.426 20 70 FEIDLO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCCC2=O)c1 ZINC000160744596 546068047 /nfs/dbraw/zinc/06/80/47/546068047.db2.gz YOBISHLWXNXGQV-GDBMZVCRSA-N 1 2 352.438 2.450 20 70 FEIDLO C[C@@H](CC(=O)NCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160747753 546069024 /nfs/dbraw/zinc/06/90/24/546069024.db2.gz JFYHKEJWSMSKCD-ZDUSSCGKSA-N 1 2 355.276 2.391 20 70 FEIDLO C[C@@]1(O)CCCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000160771608 546071586 /nfs/dbraw/zinc/07/15/86/546071586.db2.gz JFSBCLUZWSAHFQ-OAHLLOKOSA-N 1 2 367.247 2.153 20 70 FEIDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(Nc2cccc(C)c2)CC1 ZINC000160796490 546073490 /nfs/dbraw/zinc/07/34/90/546073490.db2.gz TVONOECXPWVBDF-UHFFFAOYSA-N 1 2 368.437 2.440 20 70 FEIDLO CC(C)(C)S(=O)(=O)CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000161111283 546100590 /nfs/dbraw/zinc/10/05/90/546100590.db2.gz QQQZCPSOMBEKKP-UHFFFAOYSA-N 1 2 370.490 2.120 20 70 FEIDLO COc1ccc(CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(Cl)c1 ZINC000161117198 546102208 /nfs/dbraw/zinc/10/22/08/546102208.db2.gz CAIIKVISBTWAEO-UONOGXRCSA-N 1 2 369.893 2.300 20 70 FEIDLO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1Cl ZINC000161147601 546103952 /nfs/dbraw/zinc/10/39/52/546103952.db2.gz ZQINDQBDMFJOFB-UHFFFAOYSA-N 1 2 374.872 2.500 20 70 FEIDLO Cc1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161153418 546104565 /nfs/dbraw/zinc/10/45/65/546104565.db2.gz JZJMCLBPCJBWHC-INIZCTEOSA-N 1 2 367.453 2.130 20 70 FEIDLO C[C@H](C(=O)Nc1cccnc1Cl)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161224105 546111386 /nfs/dbraw/zinc/11/13/86/546111386.db2.gz BKLMEKQWFCIMCA-CQSZACIVSA-N 1 2 359.861 2.275 20 70 FEIDLO O=C(NCCc1c(F)cccc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159422151 326931361 /nfs/dbraw/zinc/93/13/61/326931361.db2.gz JSMLPZSJKNLAQH-UHFFFAOYSA-N 1 2 360.408 2.430 20 70 FEIDLO C[C@H](Cc1ccccc1Br)NC(=O)NCC[NH+]1CCOCC1 ZINC000160166625 326955870 /nfs/dbraw/zinc/95/58/70/326955870.db2.gz VKSGSIXKTNUHLX-CYBMUJFWSA-N 1 2 370.291 2.012 20 70 FEIDLO Cc1ccsc1CCCC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000160207217 326957355 /nfs/dbraw/zinc/95/73/55/326957355.db2.gz UZPQBIKQTALDPP-OAHLLOKOSA-N 1 2 363.527 2.191 20 70 FEIDLO CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160370243 326963007 /nfs/dbraw/zinc/96/30/07/326963007.db2.gz IVMOLMPLIXQSBJ-WBVHZDCISA-N 1 2 374.485 2.250 20 70 FEIDLO C[C@H](C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1)C1CCOCC1 ZINC000160929275 326982449 /nfs/dbraw/zinc/98/24/49/326982449.db2.gz WNTWXHGSMUDEKY-INIZCTEOSA-N 1 2 356.470 2.041 20 70 FEIDLO C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161364823 326996946 /nfs/dbraw/zinc/99/69/46/326996946.db2.gz DETKRYOTOFHTCW-FZMZJTMJSA-N 1 2 373.375 2.358 20 70 FEIDLO COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161476475 327000703 /nfs/dbraw/zinc/00/07/03/327000703.db2.gz JBGFBFKRRPAWTL-BLLLJJGKSA-N 1 2 374.403 2.335 20 70 FEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@H]3CCCCO3)CC2)s1 ZINC000159582746 545964137 /nfs/dbraw/zinc/96/41/37/545964137.db2.gz LNYVVRMJNOEDJJ-OAHLLOKOSA-N 1 2 372.556 2.327 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000159781988 545980014 /nfs/dbraw/zinc/98/00/14/545980014.db2.gz TUCXVTUGFWSKDS-OAHLLOKOSA-N 1 2 374.407 2.107 20 70 FEIDLO CCOc1ccc(CN(C)C(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159928571 545992317 /nfs/dbraw/zinc/99/23/17/545992317.db2.gz JPWFEBQPTSBLQV-UHFFFAOYSA-N 1 2 352.500 2.109 20 70 FEIDLO NC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000159998008 545998682 /nfs/dbraw/zinc/99/86/82/545998682.db2.gz MWKVLPSUQAQOHP-CYBMUJFWSA-N 1 2 359.289 2.041 20 70 FEIDLO CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)CCO1 ZINC000160167369 546013960 /nfs/dbraw/zinc/01/39/60/546013960.db2.gz JWDIUSLZEDZZRG-NVXWUHKLSA-N 1 2 362.474 2.017 20 70 FEIDLO CC[N@H+](Cc1c(C)n[nH]c1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160229734 546019245 /nfs/dbraw/zinc/01/92/45/546019245.db2.gz IZLOKDQUDSNVKT-UHFFFAOYSA-N 1 2 371.441 2.302 20 70 FEIDLO CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160229734 546019251 /nfs/dbraw/zinc/01/92/51/546019251.db2.gz IZLOKDQUDSNVKT-UHFFFAOYSA-N 1 2 371.441 2.302 20 70 FEIDLO c1ccc(COc2ccnc(N3CCC[C@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000160417784 546038488 /nfs/dbraw/zinc/03/84/88/546038488.db2.gz PIYUJTHXYSJFQL-SFHVURJKSA-N 1 2 354.454 2.357 20 70 FEIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cc(OC)ccc3OC)CC2)n1 ZINC000160530735 546049070 /nfs/dbraw/zinc/04/90/70/546049070.db2.gz PFJUKFZNGAMWEJ-UHFFFAOYSA-N 1 2 372.469 2.080 20 70 FEIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705630 546064861 /nfs/dbraw/zinc/06/48/61/546064861.db2.gz BBFAWVJDYOVSST-AFAVFJNCSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705630 546064865 /nfs/dbraw/zinc/06/48/65/546064865.db2.gz BBFAWVJDYOVSST-AFAVFJNCSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@@H](Cn1ccnc1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705630 546064870 /nfs/dbraw/zinc/06/48/70/546064870.db2.gz BBFAWVJDYOVSST-AFAVFJNCSA-N 1 2 363.412 2.294 20 70 FEIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(n4cncn4)CC3)c2c1 ZINC000160778796 546071004 /nfs/dbraw/zinc/07/10/04/546071004.db2.gz IPFLGXNSUPQLSM-UHFFFAOYSA-N 1 2 367.409 2.066 20 70 FEIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000160832463 546076237 /nfs/dbraw/zinc/07/62/37/546076237.db2.gz UGQFLUWPWGJTAZ-UHFFFAOYSA-N 1 2 356.407 2.080 20 70 FEIDLO Cc1cnn(-c2ccc(S(=O)(=O)N3CCOc4cc[nH+]cc43)cc2F)c1 ZINC000160976804 546089965 /nfs/dbraw/zinc/08/99/65/546089965.db2.gz GBLKRCIAYQXTLM-UHFFFAOYSA-N 1 2 374.397 2.303 20 70 FEIDLO CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000161140907 546104042 /nfs/dbraw/zinc/10/40/42/546104042.db2.gz NEKKBMPNPKAGBD-CYBMUJFWSA-N 1 2 373.844 2.495 20 70 FEIDLO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161292850 546117084 /nfs/dbraw/zinc/11/70/84/546117084.db2.gz ZIWLICIBGPAQBG-GXFFZTMASA-N 1 2 350.406 2.388 20 70 FEIDLO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159386951 326929985 /nfs/dbraw/zinc/92/99/85/326929985.db2.gz MIVWNUIKLXBUDL-UHFFFAOYSA-N 1 2 366.396 2.020 20 70 FEIDLO C[C@@H](O)C1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000160117523 326953753 /nfs/dbraw/zinc/95/37/53/326953753.db2.gz ZHRYUFOMIKQHGQ-MLGOLLRUSA-N 1 2 355.429 2.370 20 70 FEIDLO O=C(CCc1cc2ccccc2[nH]c1=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160136634 326954564 /nfs/dbraw/zinc/95/45/64/326954564.db2.gz HNMUHLUVFDBSKO-QGZVFWFLSA-N 1 2 362.433 2.251 20 70 FEIDLO O=C(NC1CCC2(CC1)OCCO2)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160258318 326959381 /nfs/dbraw/zinc/95/93/81/326959381.db2.gz DYFFBWPXXNLAAB-INIZCTEOSA-N 1 2 360.458 2.035 20 70 FEIDLO C[C@](O)(CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000160330805 326961734 /nfs/dbraw/zinc/96/17/34/326961734.db2.gz ZJIORVFNMXHUOA-FQEVSTJZSA-N 1 2 372.444 2.396 20 70 FEIDLO Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1C ZINC000160407487 326964474 /nfs/dbraw/zinc/96/44/74/326964474.db2.gz OZUVKMHLDLAUAO-CYBMUJFWSA-N 1 2 354.516 2.167 20 70 FEIDLO O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160463548 326966392 /nfs/dbraw/zinc/96/63/92/326966392.db2.gz OMGKBQSFPKHEJA-KRWDZBQOSA-N 1 2 365.437 2.374 20 70 FEIDLO CCOC(=O)c1cnc(N2CCN(Cc3c[nH+]c4ccccn34)CC2)s1 ZINC000160853937 326979638 /nfs/dbraw/zinc/97/96/38/326979638.db2.gz SASZOMHHCFCHCV-UHFFFAOYSA-N 1 2 371.466 2.290 20 70 FEIDLO C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161275930 326994376 /nfs/dbraw/zinc/99/43/76/326994376.db2.gz KGUPNTIUUDIEBX-NHYWBVRUSA-N 1 2 362.367 2.466 20 70 FEIDLO COCc1nc2n(n1)C[C@H](Nc1nc(-c3ccncc3)[nH+]c(C)c1C)CC2 ZINC000161332358 326996192 /nfs/dbraw/zinc/99/61/92/326996192.db2.gz OPRAYACDJRPHMC-OAHLLOKOSA-N 1 2 365.441 2.320 20 70 FEIDLO O=C(CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Nc1cccc(F)c1 ZINC000161342842 326996371 /nfs/dbraw/zinc/99/63/71/326996371.db2.gz VYNBOIUGTNXONI-INIZCTEOSA-N 1 2 371.416 2.127 20 70 FEIDLO C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161365193 326996909 /nfs/dbraw/zinc/99/69/09/326996909.db2.gz DETKRYOTOFHTCW-BXUZGUMPSA-N 1 2 373.375 2.358 20 70 FEIDLO CC(C)c1ncc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000161458442 327000140 /nfs/dbraw/zinc/00/01/40/327000140.db2.gz ZMIXSQTUCRQJFT-UHFFFAOYSA-N 1 2 364.515 2.037 20 70 FEIDLO CC(C)c1ncc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)s1 ZINC000161458442 327000142 /nfs/dbraw/zinc/00/01/42/327000142.db2.gz ZMIXSQTUCRQJFT-UHFFFAOYSA-N 1 2 364.515 2.037 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000159413141 545951231 /nfs/dbraw/zinc/95/12/31/545951231.db2.gz PXCQOXYAPFJJHU-LBPRGKRZSA-N 1 2 350.381 2.205 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000159413141 545951234 /nfs/dbraw/zinc/95/12/34/545951234.db2.gz PXCQOXYAPFJJHU-LBPRGKRZSA-N 1 2 350.381 2.205 20 70 FEIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159497297 545958489 /nfs/dbraw/zinc/95/84/89/545958489.db2.gz ZYPMONCADMZTGH-MRXNPFEDSA-N 1 2 370.457 2.237 20 70 FEIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000159687204 545973308 /nfs/dbraw/zinc/97/33/08/545973308.db2.gz TUCNZVAEJYUVHH-IBGZPJMESA-N 1 2 359.514 2.172 20 70 FEIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000159687204 545973313 /nfs/dbraw/zinc/97/33/13/545973313.db2.gz TUCNZVAEJYUVHH-IBGZPJMESA-N 1 2 359.514 2.172 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H](C)CCC(C)C ZINC000159746215 545977940 /nfs/dbraw/zinc/97/79/40/545977940.db2.gz VJUFMUBLMBPIOX-CQSZACIVSA-N 1 2 362.474 2.106 20 70 FEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000159954947 545995355 /nfs/dbraw/zinc/99/53/55/545995355.db2.gz BMCQTXHUKTUJJU-HOCLYGCPSA-N 1 2 350.484 2.080 20 70 FEIDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CCCC[C@@H]1CO ZINC000159975221 545996668 /nfs/dbraw/zinc/99/66/68/545996668.db2.gz CSYNFTHRARAESC-CYBMUJFWSA-N 1 2 354.472 2.327 20 70 FEIDLO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000159975221 545996671 /nfs/dbraw/zinc/99/66/71/545996671.db2.gz CSYNFTHRARAESC-CYBMUJFWSA-N 1 2 354.472 2.327 20 70 FEIDLO COCc1nc(C)c(C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160004258 545999220 /nfs/dbraw/zinc/99/92/20/545999220.db2.gz YKVOMIDSQWAUIJ-GUTXKFCHSA-N 1 2 367.515 2.312 20 70 FEIDLO COCc1nc(C)c(C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160004258 545999223 /nfs/dbraw/zinc/99/92/23/545999223.db2.gz YKVOMIDSQWAUIJ-GUTXKFCHSA-N 1 2 367.515 2.312 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)N1CCC[C@@](C)(O)C1)c1[nH+]ccn1C ZINC000160047641 546003710 /nfs/dbraw/zinc/00/37/10/546003710.db2.gz IRPOFRVGZVWIEM-QFBILLFUSA-N 1 2 358.442 2.075 20 70 FEIDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160130157 546009707 /nfs/dbraw/zinc/00/97/07/546009707.db2.gz BZNFSGUXZUPCBV-MRXNPFEDSA-N 1 2 371.441 2.076 20 70 FEIDLO CCOC(=O)c1cnn(C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160130157 546009713 /nfs/dbraw/zinc/00/97/13/546009713.db2.gz BZNFSGUXZUPCBV-MRXNPFEDSA-N 1 2 371.441 2.076 20 70 FEIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2sccc2C)CC1 ZINC000160132176 546010660 /nfs/dbraw/zinc/01/06/60/546010660.db2.gz UXXNREKKJIGWQY-CVEARBPZSA-N 1 2 363.527 2.173 20 70 FEIDLO CCc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cnn1CC(C)C ZINC000160268460 546024937 /nfs/dbraw/zinc/02/49/37/546024937.db2.gz QFZUISPRTRFETO-UHFFFAOYSA-N 1 2 355.486 2.455 20 70 FEIDLO COc1cccc(C2(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CCCC2)c1 ZINC000160385977 546036335 /nfs/dbraw/zinc/03/63/35/546036335.db2.gz LVMVERDXRGABIZ-LJQANCHMSA-N 1 2 358.482 2.486 20 70 FEIDLO COc1cccc(C2(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CCCC2)c1 ZINC000160385977 546036337 /nfs/dbraw/zinc/03/63/37/546036337.db2.gz LVMVERDXRGABIZ-LJQANCHMSA-N 1 2 358.482 2.486 20 70 FEIDLO Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160528157 546048902 /nfs/dbraw/zinc/04/89/02/546048902.db2.gz CRIWLXRZAYUSAS-OAHLLOKOSA-N 1 2 353.426 2.279 20 70 FEIDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2=O)cc1 ZINC000160745266 546067847 /nfs/dbraw/zinc/06/78/47/546067847.db2.gz MNBKZMRGBOMEIW-GOEBONIOSA-N 1 2 352.438 2.450 20 70 FEIDLO CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)cs2)c[nH+]1 ZINC000160755291 546069069 /nfs/dbraw/zinc/06/90/69/546069069.db2.gz ZSEWTBDEJDDUOT-UHFFFAOYSA-N 1 2 367.496 2.323 20 70 FEIDLO O=C(NCCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160798339 546073090 /nfs/dbraw/zinc/07/30/90/546073090.db2.gz VAHNKYLCVRMIGM-HNNXBMFYSA-N 1 2 361.833 2.031 20 70 FEIDLO COc1ccc(C[N@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)c(OC)c1 ZINC000160840491 546077091 /nfs/dbraw/zinc/07/70/91/546077091.db2.gz JWVONDQBLJRHIM-UHFFFAOYSA-N 1 2 374.485 2.214 20 70 FEIDLO COc1ccc(C[N@@H+](C)Cc2c(C)nn(C)c2N2CCOCC2)c(OC)c1 ZINC000160840491 546077098 /nfs/dbraw/zinc/07/70/98/546077098.db2.gz JWVONDQBLJRHIM-UHFFFAOYSA-N 1 2 374.485 2.214 20 70 FEIDLO O=C(Nc1ccc(-n2ccnn2)cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160952860 546087540 /nfs/dbraw/zinc/08/75/40/546087540.db2.gz DCGIRXGUEKRJEK-INIZCTEOSA-N 1 2 363.425 2.453 20 70 FEIDLO CC(C)(CNC(=O)NCCOCc1ccc(Cl)cc1)[NH+]1CCOCC1 ZINC000161041374 546095117 /nfs/dbraw/zinc/09/51/17/546095117.db2.gz QXWJTSRRJPEWNK-UHFFFAOYSA-N 1 2 369.893 2.267 20 70 FEIDLO C[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000161091642 546099663 /nfs/dbraw/zinc/09/96/63/546099663.db2.gz NTWJAKRIKKFZMG-KCPJHIHWSA-N 1 2 365.417 2.494 20 70 FEIDLO C[C@H](C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)CS(C)(=O)=O ZINC000161091642 546099666 /nfs/dbraw/zinc/09/96/66/546099666.db2.gz NTWJAKRIKKFZMG-KCPJHIHWSA-N 1 2 365.417 2.494 20 70 FEIDLO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161416209 546128501 /nfs/dbraw/zinc/12/85/01/546128501.db2.gz XHMFCVIAERYJBN-BBRMVZONSA-N 1 2 358.404 2.369 20 70 FEIDLO C[C@](O)(CNC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000159554430 326935241 /nfs/dbraw/zinc/93/52/41/326935241.db2.gz JTQRSWGZZYKUOC-IBGZPJMESA-N 1 2 369.400 2.113 20 70 FEIDLO CCC(=O)N1CC[C@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000159597349 326936591 /nfs/dbraw/zinc/93/65/91/326936591.db2.gz BPIMHPMZCXRUQE-ZDUSSCGKSA-N 1 2 350.488 2.326 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000159782761 326941704 /nfs/dbraw/zinc/94/17/04/326941704.db2.gz OILKROCQRFCOSM-UHFFFAOYSA-N 1 2 359.495 2.118 20 70 FEIDLO COc1ccccc1[C@@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159826972 326943472 /nfs/dbraw/zinc/94/34/72/326943472.db2.gz XNOSSDPEZANQHT-CABCVRRESA-N 1 2 352.500 2.326 20 70 FEIDLO NC(=O)C[C@@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159927959 326947186 /nfs/dbraw/zinc/94/71/86/326947186.db2.gz YOAUERJYIDFNNT-HNNXBMFYSA-N 1 2 371.441 2.081 20 70 FEIDLO O=C(CCc1cc2ccccc2[nH]c1=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160136764 326954602 /nfs/dbraw/zinc/95/46/02/326954602.db2.gz HNMUHLUVFDBSKO-KRWDZBQOSA-N 1 2 362.433 2.251 20 70 FEIDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCCC2=O)c1 ZINC000160744743 326975699 /nfs/dbraw/zinc/97/56/99/326975699.db2.gz YOBISHLWXNXGQV-HOCLYGCPSA-N 1 2 352.438 2.450 20 70 FEIDLO CC1CCN(c2ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)c[nH+]2)CC1 ZINC000160774988 326976882 /nfs/dbraw/zinc/97/68/82/326976882.db2.gz GDCHNWRCHOSGLS-UHFFFAOYSA-N 1 2 367.515 2.147 20 70 FEIDLO O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160958008 326983261 /nfs/dbraw/zinc/98/32/61/326983261.db2.gz CQLSMUAJSFTMNQ-FHWLQOOXSA-N 1 2 370.497 2.257 20 70 FEIDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000161136791 326989082 /nfs/dbraw/zinc/98/90/82/326989082.db2.gz ZELFBQHCVZNLOQ-UYAOXDASSA-N 1 2 369.465 2.465 20 70 FEIDLO CCc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159475417 545956681 /nfs/dbraw/zinc/95/66/81/545956681.db2.gz DEHMCTGRDBDACQ-UHFFFAOYSA-N 1 2 354.516 2.228 20 70 FEIDLO CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159633994 545968650 /nfs/dbraw/zinc/96/86/50/545968650.db2.gz GKBNMZRQYBDIAV-IEBWSBKVSA-N 1 2 368.481 2.308 20 70 FEIDLO CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159633994 545968654 /nfs/dbraw/zinc/96/86/54/545968654.db2.gz GKBNMZRQYBDIAV-IEBWSBKVSA-N 1 2 368.481 2.308 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000159788003 545980701 /nfs/dbraw/zinc/98/07/01/545980701.db2.gz CPOUAKSXCMHGEW-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccccc2F)s1 ZINC000159788003 545980705 /nfs/dbraw/zinc/98/07/05/545980705.db2.gz CPOUAKSXCMHGEW-HNNXBMFYSA-N 1 2 362.426 2.418 20 70 FEIDLO CCN(CC)C(=O)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159800741 545981935 /nfs/dbraw/zinc/98/19/35/545981935.db2.gz IUXXWXGUISQZQA-QGZVFWFLSA-N 1 2 354.454 2.244 20 70 FEIDLO CCC(CC)(CC)CNC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000160011242 545999847 /nfs/dbraw/zinc/99/98/47/545999847.db2.gz IMFOQYNBRNQHBL-UHFFFAOYSA-N 1 2 352.523 2.152 20 70 FEIDLO Cc1onc(-c2ccccn2)c1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160090392 546006441 /nfs/dbraw/zinc/00/64/41/546006441.db2.gz SRAVANOIGFNPAV-UHFFFAOYSA-N 1 2 363.421 2.398 20 70 FEIDLO Cc1ccc(-c2nc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)n[nH]2)o1 ZINC000160245372 546021711 /nfs/dbraw/zinc/02/17/11/546021711.db2.gz VFKFSYFYGWAINJ-INIZCTEOSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2nc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n[nH]2)o1 ZINC000160245372 546021715 /nfs/dbraw/zinc/02/17/15/546021715.db2.gz VFKFSYFYGWAINJ-INIZCTEOSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)o1 ZINC000160245372 546021717 /nfs/dbraw/zinc/02/17/17/546021717.db2.gz VFKFSYFYGWAINJ-INIZCTEOSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)o1 ZINC000160245372 546021719 /nfs/dbraw/zinc/02/17/19/546021719.db2.gz VFKFSYFYGWAINJ-INIZCTEOSA-N 1 2 367.409 2.213 20 70 FEIDLO Cc1c([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1ccc(F)cc1 ZINC000160580225 546054149 /nfs/dbraw/zinc/05/41/49/546054149.db2.gz QMJHEDQGAZMHMN-VIFPVBQESA-N 1 2 359.327 2.044 20 70 FEIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)c1cnc2c(c1)ncn2C ZINC000160641521 546059151 /nfs/dbraw/zinc/05/91/51/546059151.db2.gz JINJYCUBIBARIN-UHFFFAOYSA-N 1 2 360.421 2.485 20 70 FEIDLO C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)CC1(C)OCCO1 ZINC000160677523 546062356 /nfs/dbraw/zinc/06/23/56/546062356.db2.gz DAPRKNMPWWRFSQ-OAHLLOKOSA-N 1 2 362.474 2.139 20 70 FEIDLO O=C(Nc1ccc(N2CCCC2)nc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160753849 546068937 /nfs/dbraw/zinc/06/89/37/546068937.db2.gz FDYJVWXVHQATLC-MRXNPFEDSA-N 1 2 352.442 2.477 20 70 FEIDLO CC(C)(C)c1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000160822260 546075495 /nfs/dbraw/zinc/07/54/95/546075495.db2.gz FRQSEEPFPIIWPV-UHFFFAOYSA-N 1 2 360.545 2.123 20 70 FEIDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161185507 546107822 /nfs/dbraw/zinc/10/78/22/546107822.db2.gz TYYDVZIZOHBQEB-KRWDZBQOSA-N 1 2 370.472 2.086 20 70 FEIDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161185507 546107824 /nfs/dbraw/zinc/10/78/24/546107824.db2.gz TYYDVZIZOHBQEB-KRWDZBQOSA-N 1 2 370.472 2.086 20 70 FEIDLO CC(C)n1nccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161197927 546109459 /nfs/dbraw/zinc/10/94/59/546109459.db2.gz IGNOQFREKXUDKO-INIZCTEOSA-N 1 2 356.474 2.004 20 70 FEIDLO COc1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161223059 546110769 /nfs/dbraw/zinc/11/07/69/546110769.db2.gz SXLSEKAYMDUWJK-QGZVFWFLSA-N 1 2 374.403 2.289 20 70 FEIDLO O=C(CCC(=O)N1CCC[C@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000161319016 546118930 /nfs/dbraw/zinc/11/89/30/546118930.db2.gz GHMDSFXRNKDTHJ-MSOLQXFVSA-N 1 2 370.497 2.302 20 70 FEIDLO O=C(CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)Nc1cccc(F)c1 ZINC000161342957 546120964 /nfs/dbraw/zinc/12/09/64/546120964.db2.gz VYNBOIUGTNXONI-MRXNPFEDSA-N 1 2 371.416 2.127 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)NC[C@H](CC(C)C)[NH+]3CCOCC3)nn2)c1 ZINC000159414413 326930542 /nfs/dbraw/zinc/93/05/42/326930542.db2.gz PPUUHLPGQXVVMS-SFHVURJKSA-N 1 2 371.485 2.052 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)N(Cc1ccco1)CC(F)(F)F ZINC000159759297 326941241 /nfs/dbraw/zinc/94/12/41/326941241.db2.gz CIGMKIXOKBNGSN-UHFFFAOYSA-N 1 2 366.405 2.236 20 70 FEIDLO CC(C)(C(N)=O)c1ccc(NC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000159827496 326943541 /nfs/dbraw/zinc/94/35/41/326943541.db2.gz NJFOAUJFRPEHNZ-UHFFFAOYSA-N 1 2 355.442 2.468 20 70 FEIDLO CCS(=O)(=O)c1cccc(CC(=O)N(C)c2ccc[nH+]c2N(C)C)c1 ZINC000160866391 326979813 /nfs/dbraw/zinc/97/98/13/326979813.db2.gz VOSBDBSCKRCMFW-UHFFFAOYSA-N 1 2 361.467 2.147 20 70 FEIDLO Cc1nc([C@@H](NC(=O)NCCCn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160869744 326980242 /nfs/dbraw/zinc/98/02/42/326980242.db2.gz RQFQKUVMMKEEAT-HNNXBMFYSA-N 1 2 358.377 2.193 20 70 FEIDLO COc1ccc(OC)c(C[NH+]2CCN(Cc3cnc4cnccn34)CC2)c1 ZINC000161042999 326986198 /nfs/dbraw/zinc/98/61/98/326986198.db2.gz LYEFATIMIIWUOZ-UHFFFAOYSA-N 1 2 367.453 2.064 20 70 FEIDLO Cc1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c1 ZINC000161153308 326989907 /nfs/dbraw/zinc/98/99/07/326989907.db2.gz JZJMCLBPCJBWHC-MRXNPFEDSA-N 1 2 367.453 2.130 20 70 FEIDLO O=C(Nc1cc(-c2cccs2)nn1CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161213134 326991962 /nfs/dbraw/zinc/99/19/62/326991962.db2.gz FIWVCAYCCXTGGD-GFCCVEGCSA-N 1 2 357.439 2.002 20 70 FEIDLO O=C(CCc1nc(-c2ccoc2)no1)NCc1cccnc1-n1cc[nH+]c1 ZINC000159476801 545957286 /nfs/dbraw/zinc/95/72/86/545957286.db2.gz RDEWZEGIIAVOIZ-UHFFFAOYSA-N 1 2 364.365 2.159 20 70 FEIDLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159485244 545957305 /nfs/dbraw/zinc/95/73/05/545957305.db2.gz JHGLLDLCYCGFIL-AABGKKOBSA-N 1 2 373.497 2.144 20 70 FEIDLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159485244 545957308 /nfs/dbraw/zinc/95/73/08/545957308.db2.gz JHGLLDLCYCGFIL-AABGKKOBSA-N 1 2 373.497 2.144 20 70 FEIDLO Cc1nc(C(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)c(=O)[nH]c1C ZINC000159496409 545958674 /nfs/dbraw/zinc/95/86/74/545958674.db2.gz HFNQWRNMEUXKHR-UHFFFAOYSA-N 1 2 361.471 2.327 20 70 FEIDLO C[NH+](C)[C@H](CNC(=O)c1csc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000159537379 545961431 /nfs/dbraw/zinc/96/14/31/545961431.db2.gz ZHTCOKVGVBAVAT-CQSZACIVSA-N 1 2 370.471 2.323 20 70 FEIDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380689 546034849 /nfs/dbraw/zinc/03/48/49/546034849.db2.gz XLAOMEDSPPNROL-NVXWUHKLSA-N 1 2 357.454 2.313 20 70 FEIDLO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380689 546034852 /nfs/dbraw/zinc/03/48/52/546034852.db2.gz XLAOMEDSPPNROL-NVXWUHKLSA-N 1 2 357.454 2.313 20 70 FEIDLO O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160533388 546048613 /nfs/dbraw/zinc/04/86/13/546048613.db2.gz NANVZGCTLNTEBN-MOPGFXCFSA-N 1 2 368.485 2.289 20 70 FEIDLO C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCOC2=O)c1 ZINC000160746440 546067642 /nfs/dbraw/zinc/06/76/42/546067642.db2.gz UJFICTHSJKQSRH-HIFRSBDPSA-N 1 2 354.410 2.280 20 70 FEIDLO C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCOC2=O)c1 ZINC000160746055 546068423 /nfs/dbraw/zinc/06/84/23/546068423.db2.gz UJFICTHSJKQSRH-DZGCQCFKSA-N 1 2 354.410 2.280 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(N2CCOC2=O)c1 ZINC000161269226 546115221 /nfs/dbraw/zinc/11/52/21/546115221.db2.gz SVTLKYYGOVMGHE-OAHLLOKOSA-N 1 2 352.394 2.047 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC2(C[C@@H]2C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000161360251 546123619 /nfs/dbraw/zinc/12/36/19/546123619.db2.gz CHYUVMULQPKZIK-OAHLLOKOSA-N 1 2 362.474 2.427 20 70 FEIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1ccnc(Cl)c1F ZINC000161376850 546124161 /nfs/dbraw/zinc/12/41/61/546124161.db2.gz VKUCNEOABZTRJD-UHFFFAOYSA-N 1 2 350.781 2.036 20 70 FEIDLO Cc1cc(NC2CCC(C(=O)NC(N)=O)CC2)nc(-c2cccnc2)[nH+]1 ZINC000159570590 326935413 /nfs/dbraw/zinc/93/54/13/326935413.db2.gz FJNBEXRYBREURA-UHFFFAOYSA-N 1 2 354.414 2.013 20 70 FEIDLO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159582299 326936091 /nfs/dbraw/zinc/93/60/91/326936091.db2.gz LRJOKYMDWBOCRK-INIZCTEOSA-N 1 2 354.454 2.246 20 70 FEIDLO COc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1N1CCCC1=O ZINC000159821793 326943218 /nfs/dbraw/zinc/94/32/18/326943218.db2.gz JPZWZNBLLDAAGJ-CYBMUJFWSA-N 1 2 354.410 2.220 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)N1CCC[C@](C)(O)C1)c1[nH+]ccn1C ZINC000160047507 326951514 /nfs/dbraw/zinc/95/15/14/326951514.db2.gz IRPOFRVGZVWIEM-LPHOPBHVSA-N 1 2 358.442 2.075 20 70 FEIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCCc2sccc2C)CC1 ZINC000160131468 326954306 /nfs/dbraw/zinc/95/43/06/326954306.db2.gz ZNXBSHRKKXUSPZ-UHFFFAOYSA-N 1 2 365.543 2.392 20 70 FEIDLO O=C(N[C@@H](CCCO)c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160349725 326962150 /nfs/dbraw/zinc/96/21/50/326962150.db2.gz TWEKWVRRMVDJBQ-FQEVSTJZSA-N 1 2 368.481 2.423 20 70 FEIDLO CC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1c(C)nn(C)c1C ZINC000160460247 326966276 /nfs/dbraw/zinc/96/62/76/326966276.db2.gz JVQTUXZYXWUGQU-SFHVURJKSA-N 1 2 370.501 2.410 20 70 FEIDLO O=C(N[C@@H]1CCCC[C@H]1n1cccn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160533597 326968794 /nfs/dbraw/zinc/96/87/94/326968794.db2.gz NANVZGCTLNTEBN-RTBURBONSA-N 1 2 368.485 2.289 20 70 FEIDLO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000160949424 326983152 /nfs/dbraw/zinc/98/31/52/326983152.db2.gz YACVAUNOFYGYQB-OAHLLOKOSA-N 1 2 371.403 2.371 20 70 FEIDLO COc1ccc(CCNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(Cl)c1 ZINC000161117325 326988575 /nfs/dbraw/zinc/98/85/75/326988575.db2.gz CAIIKVISBTWAEO-ZIAGYGMSSA-N 1 2 369.893 2.300 20 70 FEIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000161155017 326989979 /nfs/dbraw/zinc/98/99/79/326989979.db2.gz FKPGOZLEPBXZDJ-ONIAQPFYSA-N 1 2 358.486 2.342 20 70 FEIDLO O=C(CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)N1CCc2ccccc21 ZINC000159480689 545957192 /nfs/dbraw/zinc/95/71/92/545957192.db2.gz BPWJPYDWDGLERL-HKUYNNGSSA-N 1 2 370.449 2.383 20 70 FEIDLO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)N1CCc2ccccc21 ZINC000159480689 545957197 /nfs/dbraw/zinc/95/71/97/545957197.db2.gz BPWJPYDWDGLERL-HKUYNNGSSA-N 1 2 370.449 2.383 20 70 FEIDLO CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159633743 545968172 /nfs/dbraw/zinc/96/81/72/545968172.db2.gz GKBNMZRQYBDIAV-MJGOQNOKSA-N 1 2 368.481 2.308 20 70 FEIDLO CC[C@@H](NC(=O)c1[nH]nc2c1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159633743 545968176 /nfs/dbraw/zinc/96/81/76/545968176.db2.gz GKBNMZRQYBDIAV-MJGOQNOKSA-N 1 2 368.481 2.308 20 70 FEIDLO CCOC(=O)C1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000159703540 545974014 /nfs/dbraw/zinc/97/40/14/545974014.db2.gz KKZYXEVOPYPOGM-UHFFFAOYSA-N 1 2 374.485 2.031 20 70 FEIDLO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159787952 545980751 /nfs/dbraw/zinc/98/07/51/545980751.db2.gz XTLQGAKGXNYYOS-UHFFFAOYSA-N 1 2 374.466 2.202 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000160132684 546010227 /nfs/dbraw/zinc/01/02/27/546010227.db2.gz QRDFXDSJEUQSCK-UHFFFAOYSA-N 1 2 370.453 2.137 20 70 FEIDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000160384181 546035624 /nfs/dbraw/zinc/03/56/24/546035624.db2.gz SOXMVFUUDNNLNL-ROUUACIJSA-N 1 2 353.422 2.473 20 70 FEIDLO COc1ccc(CN2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)cc1F ZINC000160561655 546052638 /nfs/dbraw/zinc/05/26/38/546052638.db2.gz CSJXYSWJNZCDIV-UHFFFAOYSA-N 1 2 372.506 2.165 20 70 FEIDLO O=C(NCCc1ccc(Cl)nc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160726379 546066953 /nfs/dbraw/zinc/06/69/53/546066953.db2.gz PRXUCIHDSCRCDJ-UHFFFAOYSA-N 1 2 359.861 2.200 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000161000590 546091331 /nfs/dbraw/zinc/09/13/31/546091331.db2.gz LCMQONFIUZMJGB-QGZVFWFLSA-N 1 2 358.417 2.039 20 70 FEIDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CCc3[nH]nc(C(F)(F)F)c3C1)C2 ZINC000161100838 546099457 /nfs/dbraw/zinc/09/94/57/546099457.db2.gz MVUCOYZMDLRMTL-MNOVXSKESA-N 1 2 367.375 2.170 20 70 FEIDLO Cc1ccc(C(=O)CC[N@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000161150267 546105373 /nfs/dbraw/zinc/10/53/73/546105373.db2.gz CJRRPUQSZUDBSQ-MSOLQXFVSA-N 1 2 365.495 2.236 20 70 FEIDLO Cc1ccc(C(=O)CC[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000161150267 546105376 /nfs/dbraw/zinc/10/53/76/546105376.db2.gz CJRRPUQSZUDBSQ-MSOLQXFVSA-N 1 2 365.495 2.236 20 70 FEIDLO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161175116 546107137 /nfs/dbraw/zinc/10/71/37/546107137.db2.gz ZPXDTKWMNFJYKD-GOSISDBHSA-N 1 2 352.482 2.246 20 70 FEIDLO C[C@H](C(=O)N(C)Cc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161175116 546107143 /nfs/dbraw/zinc/10/71/43/546107143.db2.gz ZPXDTKWMNFJYKD-GOSISDBHSA-N 1 2 352.482 2.246 20 70 FEIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000161195506 546107836 /nfs/dbraw/zinc/10/78/36/546107836.db2.gz IAMIULDQXVASKQ-UHFFFAOYSA-N 1 2 360.502 2.221 20 70 FEIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(C)C)nc2)CC1 ZINC000161195506 546107838 /nfs/dbraw/zinc/10/78/38/546107838.db2.gz IAMIULDQXVASKQ-UHFFFAOYSA-N 1 2 360.502 2.221 20 70 FEIDLO O=C(NC1CC1)[C@H](c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161205460 546109342 /nfs/dbraw/zinc/10/93/42/546109342.db2.gz JETFTEOXFXREPI-FQEVSTJZSA-N 1 2 350.466 2.219 20 70 FEIDLO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161205460 546109351 /nfs/dbraw/zinc/10/93/51/546109351.db2.gz JETFTEOXFXREPI-FQEVSTJZSA-N 1 2 350.466 2.219 20 70 FEIDLO COC(=O)CCN(Cc1ccc(F)c(F)c1)c1[nH+]cnc2c1cnn2C ZINC000161245320 546113144 /nfs/dbraw/zinc/11/31/44/546113144.db2.gz FFRNTFCXJKJENR-UHFFFAOYSA-N 1 2 361.352 2.211 20 70 FEIDLO COCc1ccccc1CNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161253360 546114262 /nfs/dbraw/zinc/11/42/62/546114262.db2.gz HBSSGLAWWCSOQB-QGZVFWFLSA-N 1 2 374.403 2.084 20 70 FEIDLO C[C@@H]1CN(c2ccnc(C(=O)NCc3cn4ccccc4[nH+]3)c2)C[C@@H](C)O1 ZINC000216975728 548680141 /nfs/dbraw/zinc/68/01/41/548680141.db2.gz XKQNZXWEQSSMGO-HUUCEWRRSA-N 1 2 365.437 2.273 20 70 FEIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(I)ccc1O ZINC000218126028 328482381 /nfs/dbraw/zinc/48/23/81/328482381.db2.gz HTYJCKJPNCQMRH-SECBINFHSA-N 1 2 371.178 2.012 20 70 FEIDLO COc1ccsc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000159610098 326936703 /nfs/dbraw/zinc/93/67/03/326936703.db2.gz SOVSSLKXIAAGLI-UHFFFAOYSA-N 1 2 350.425 2.447 20 70 FEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159765684 326941410 /nfs/dbraw/zinc/94/14/10/326941410.db2.gz XXEPUEHAENEOOE-KRWDZBQOSA-N 1 2 360.433 2.240 20 70 FEIDLO CN(CCCn1cc[nH+]c1)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159842440 326943813 /nfs/dbraw/zinc/94/38/13/326943813.db2.gz AKPCXLKXKBYTCH-UHFFFAOYSA-N 1 2 354.414 2.207 20 70 FEIDLO O=C(CNC(=O)CC1CCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000159950115 326948146 /nfs/dbraw/zinc/94/81/46/326948146.db2.gz OBSWWNPUPXBLNY-UHFFFAOYSA-N 1 2 354.454 2.244 20 70 FEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000159954694 326948553 /nfs/dbraw/zinc/94/85/53/326948553.db2.gz BMCQTXHUKTUJJU-GOEBONIOSA-N 1 2 350.484 2.080 20 70 FEIDLO Cc1ccsc1CCCC(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000160207077 326957352 /nfs/dbraw/zinc/95/73/52/326957352.db2.gz UZPQBIKQTALDPP-HNNXBMFYSA-N 1 2 363.527 2.191 20 70 FEIDLO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160400144 326964236 /nfs/dbraw/zinc/96/42/36/326964236.db2.gz FOPKTKBGNPFHIV-HOTGVXAUSA-N 1 2 354.516 2.447 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000161038669 326985992 /nfs/dbraw/zinc/98/59/92/326985992.db2.gz XUOJBBRMZDZNCI-MRXNPFEDSA-N 1 2 358.467 2.028 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1ccc(Cl)cc1 ZINC000161144025 326989356 /nfs/dbraw/zinc/98/93/56/326989356.db2.gz BMSDTHPWNRZOTE-UHFFFAOYSA-N 1 2 358.873 2.169 20 70 FEIDLO CC1(C)C[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000161435901 326999257 /nfs/dbraw/zinc/99/92/57/326999257.db2.gz AANNAIBYLUPRSH-QZTJIDSGSA-N 1 2 361.486 2.317 20 70 FEIDLO CCOC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380402 545948350 /nfs/dbraw/zinc/94/83/50/545948350.db2.gz DFQXKVNMMQVDQV-LLVKDONJSA-N 1 2 370.247 2.058 20 70 FEIDLO CCOC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380402 545948354 /nfs/dbraw/zinc/94/83/54/545948354.db2.gz DFQXKVNMMQVDQV-LLVKDONJSA-N 1 2 370.247 2.058 20 70 FEIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450340 545953823 /nfs/dbraw/zinc/95/38/23/545953823.db2.gz UMWCBNJLOBFJMN-RWMBFGLXSA-N 1 2 352.504 2.226 20 70 FEIDLO C[C@H](NC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1)c1nc(C(C)(C)C)cs1 ZINC000159450340 545953824 /nfs/dbraw/zinc/95/38/24/545953824.db2.gz UMWCBNJLOBFJMN-RWMBFGLXSA-N 1 2 352.504 2.226 20 70 FEIDLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(F)c1 ZINC000159462851 545955196 /nfs/dbraw/zinc/95/51/96/545955196.db2.gz JMMUETNQTXZZGU-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc2ccccc2o1 ZINC000159469360 545956038 /nfs/dbraw/zinc/95/60/38/545956038.db2.gz LCQYVJZWZNVOSS-UHFFFAOYSA-N 1 2 366.483 2.412 20 70 FEIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000159687348 545973466 /nfs/dbraw/zinc/97/34/66/545973466.db2.gz TUCNZVAEJYUVHH-LJQANCHMSA-N 1 2 359.514 2.172 20 70 FEIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](Cc2ccccc2)C(C)C)CC1 ZINC000159687348 545973471 /nfs/dbraw/zinc/97/34/71/545973471.db2.gz TUCNZVAEJYUVHH-LJQANCHMSA-N 1 2 359.514 2.172 20 70 FEIDLO c1cn(CCSc2nnc(N3CCCCC3)n2C[C@H]2CCCO2)c[nH+]1 ZINC000159755943 545977509 /nfs/dbraw/zinc/97/75/09/545977509.db2.gz LSILBUVPHIMNLD-OAHLLOKOSA-N 1 2 362.503 2.436 20 70 FEIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000159811711 545982785 /nfs/dbraw/zinc/98/27/85/545982785.db2.gz DDULBARCOJXNJR-UHFFFAOYSA-N 1 2 351.410 2.193 20 70 FEIDLO CCCCn1ncc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1C ZINC000160076359 546005551 /nfs/dbraw/zinc/00/55/51/546005551.db2.gz OVGIXNBNXUKSMA-UHFFFAOYSA-N 1 2 359.478 2.075 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160175271 546014763 /nfs/dbraw/zinc/01/47/63/546014763.db2.gz LMPOXXWPNMDFBM-UHFFFAOYSA-N 1 2 371.441 2.186 20 70 FEIDLO C[C@@H](CCc1cccn1C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160411927 546039013 /nfs/dbraw/zinc/03/90/13/546039013.db2.gz HHQSBSSHTMDSLA-KRWDZBQOSA-N 1 2 355.486 2.269 20 70 FEIDLO C[C@@H](C(=O)NCCCOc1ccc2ccccc2c1)[NH+]1CCN(C)CC1 ZINC000160718316 546065561 /nfs/dbraw/zinc/06/55/61/546065561.db2.gz FWODHENCYXKTHS-KRWDZBQOSA-N 1 2 355.482 2.361 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccco1 ZINC000160719895 546065719 /nfs/dbraw/zinc/06/57/19/546065719.db2.gz VXQDGLCFLNBXRM-IBGZPJMESA-N 1 2 373.453 2.351 20 70 FEIDLO Cc1nc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)sc1C ZINC000160848431 546078156 /nfs/dbraw/zinc/07/81/56/546078156.db2.gz QTIMBCSGCBXKKZ-UHFFFAOYSA-N 1 2 367.496 2.348 20 70 FEIDLO COC(C[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1)OC ZINC000161090480 546100091 /nfs/dbraw/zinc/10/00/91/546100091.db2.gz IERJGZYUGOGEJK-LBPRGKRZSA-N 1 2 352.460 2.096 20 70 FEIDLO CS[C@@H](C)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000161221364 546111081 /nfs/dbraw/zinc/11/10/81/546111081.db2.gz JBRIDTUNXSDTAL-HNNXBMFYSA-N 1 2 352.500 2.155 20 70 FEIDLO COCc1ccc(CNC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161445867 546131106 /nfs/dbraw/zinc/13/11/06/546131106.db2.gz VGKYJTXIHOXNHN-KRWDZBQOSA-N 1 2 374.403 2.084 20 70 FEIDLO COC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000160224606 326957862 /nfs/dbraw/zinc/95/78/62/326957862.db2.gz TYFKAYWUOHJRBB-UHFFFAOYSA-N 1 2 355.232 2.273 20 70 FEIDLO Cc1c(NC(=O)NCC[NH+]2CCOCC2)cnn1-c1cc(C)ccc1C ZINC000160755600 326976417 /nfs/dbraw/zinc/97/64/17/326976417.db2.gz HCMWEERKIDQEPC-UHFFFAOYSA-N 1 2 357.458 2.251 20 70 FEIDLO CCO[C@@H](C)c1noc(CN2CCN(Cc3c[nH+]c4ccccn34)CC2)n1 ZINC000160819241 326978595 /nfs/dbraw/zinc/97/85/95/326978595.db2.gz XNGIEXNVDGKZET-HNNXBMFYSA-N 1 2 370.457 2.133 20 70 FEIDLO COc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC(F)F ZINC000161003036 326984555 /nfs/dbraw/zinc/98/45/55/326984555.db2.gz LRUKRKMJCHGAHH-HNNXBMFYSA-N 1 2 370.396 2.120 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000161015743 326985121 /nfs/dbraw/zinc/98/51/21/326985121.db2.gz POJRFNPQGFYZDM-GOEBONIOSA-N 1 2 374.485 2.202 20 70 FEIDLO CC[NH2+]CC1CCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000161112238 326988385 /nfs/dbraw/zinc/98/83/85/326988385.db2.gz ZFUZHAXJFQFXEX-UHFFFAOYSA-N 1 2 360.433 2.487 20 70 FEIDLO Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nnn1-c1ccc(C)cc1 ZINC000161389074 326998143 /nfs/dbraw/zinc/99/81/43/326998143.db2.gz YURSFUBCPDQDFO-INIZCTEOSA-N 1 2 362.437 2.288 20 70 FEIDLO C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159418931 545952396 /nfs/dbraw/zinc/95/23/96/545952396.db2.gz YGNIXYPFQTUPCM-AWEZNQCLSA-N 1 2 355.442 2.211 20 70 FEIDLO Cc1ccc(F)cc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159471043 545955954 /nfs/dbraw/zinc/95/59/54/545955954.db2.gz RGGUVNXWODLEIJ-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000159739259 545976474 /nfs/dbraw/zinc/97/64/74/545976474.db2.gz DHLCWJPQKFMNKK-CQSZACIVSA-N 1 2 350.463 2.285 20 70 FEIDLO COc1ccc(C[N@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000159866921 545987002 /nfs/dbraw/zinc/98/70/02/545987002.db2.gz CWDANDFJTIABMT-SFHVURJKSA-N 1 2 363.483 2.057 20 70 FEIDLO COc1ccc(C[N@@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)cc1 ZINC000159866921 545987007 /nfs/dbraw/zinc/98/70/07/545987007.db2.gz CWDANDFJTIABMT-SFHVURJKSA-N 1 2 363.483 2.057 20 70 FEIDLO CC(C)(C(N)=O)c1ccc(NC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000159934522 545992512 /nfs/dbraw/zinc/99/25/12/545992512.db2.gz GHZRYRDFMAATRN-UHFFFAOYSA-N 1 2 365.437 2.461 20 70 FEIDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160046679 546003627 /nfs/dbraw/zinc/00/36/27/546003627.db2.gz YHQJOKDHZVELCZ-MBOZVWFJSA-N 1 2 357.498 2.319 20 70 FEIDLO O=C(Cc1ccc(Br)s1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160371070 546034442 /nfs/dbraw/zinc/03/44/42/546034442.db2.gz QBOOJNQBRXZWRM-LLVKDONJSA-N 1 2 359.289 2.033 20 70 FEIDLO O=C(Cc1ccc(Br)s1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160371070 546034447 /nfs/dbraw/zinc/03/44/47/546034447.db2.gz QBOOJNQBRXZWRM-LLVKDONJSA-N 1 2 359.289 2.033 20 70 FEIDLO O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160463690 546042942 /nfs/dbraw/zinc/04/29/42/546042942.db2.gz OMGKBQSFPKHEJA-QGZVFWFLSA-N 1 2 365.437 2.374 20 70 FEIDLO CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160599046 546055963 /nfs/dbraw/zinc/05/59/63/546055963.db2.gz LPNCMYLFUZENFC-MJGOQNOKSA-N 1 2 360.502 2.360 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000160691119 546063168 /nfs/dbraw/zinc/06/31/68/546063168.db2.gz AKHALVRPMISAFV-UHFFFAOYSA-N 1 2 367.409 2.260 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000160977497 546090078 /nfs/dbraw/zinc/09/00/78/546090078.db2.gz MHYHCVGQNUFILG-INIZCTEOSA-N 1 2 354.397 2.154 20 70 FEIDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161141047 546104116 /nfs/dbraw/zinc/10/41/16/546104116.db2.gz QWFHSIHRGVNUFS-BBRMVZONSA-N 1 2 371.416 2.007 20 70 FEIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161175254 546107588 /nfs/dbraw/zinc/10/75/88/546107588.db2.gz FNAXRIDJKSYHGV-SFHVURJKSA-N 1 2 364.493 2.173 20 70 FEIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161175254 546107590 /nfs/dbraw/zinc/10/75/90/546107590.db2.gz FNAXRIDJKSYHGV-SFHVURJKSA-N 1 2 364.493 2.173 20 70 FEIDLO O=C1[C@@H]([N@H+](CCO)Cc2cccnc2)CCN1c1ccc(Cl)c(F)c1 ZINC000161354555 546122304 /nfs/dbraw/zinc/12/23/04/546122304.db2.gz UFBOEHSOSIONKL-KRWDZBQOSA-N 1 2 363.820 2.474 20 70 FEIDLO O=C1[C@@H]([N@@H+](CCO)Cc2cccnc2)CCN1c1ccc(Cl)c(F)c1 ZINC000161354555 546122308 /nfs/dbraw/zinc/12/23/08/546122308.db2.gz UFBOEHSOSIONKL-KRWDZBQOSA-N 1 2 363.820 2.474 20 70 FEIDLO C[C@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000161370580 546124190 /nfs/dbraw/zinc/12/41/90/546124190.db2.gz CPODRQJBMNIYQG-HNNXBMFYSA-N 1 2 355.438 2.258 20 70 FEIDLO O=C(COC[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161391263 546126084 /nfs/dbraw/zinc/12/60/84/546126084.db2.gz WXMUFCQNSNBCIS-INIZCTEOSA-N 1 2 352.862 2.180 20 70 FEIDLO CC1(C)C[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000161436055 546129601 /nfs/dbraw/zinc/12/96/01/546129601.db2.gz AANNAIBYLUPRSH-ZWKOTPCHSA-N 1 2 361.486 2.317 20 70 FEIDLO COc1ccc([C@@H](NC(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000159918110 326946861 /nfs/dbraw/zinc/94/68/61/326946861.db2.gz MREUFOLTJFNXTM-IBGZPJMESA-N 1 2 364.511 2.328 20 70 FEIDLO C[C@@H](Cc1c(F)cccc1F)NC(=O)CSCC[NH+]1CCOCC1 ZINC000159993015 326949638 /nfs/dbraw/zinc/94/96/38/326949638.db2.gz OXVYLTSMNCIALX-ZDUSSCGKSA-N 1 2 358.454 2.077 20 70 FEIDLO Cn1c(=O)cccc1C(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000160072222 326952216 /nfs/dbraw/zinc/95/22/16/326952216.db2.gz IDXPZYRPVWESCH-UHFFFAOYSA-N 1 2 374.444 2.273 20 70 FEIDLO Cc1ccc(S(=O)(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)s1 ZINC000160121368 326954130 /nfs/dbraw/zinc/95/41/30/326954130.db2.gz XQHSOEFZOBFBIL-CQSZACIVSA-N 1 2 370.496 2.159 20 70 FEIDLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1 ZINC000160209194 326957401 /nfs/dbraw/zinc/95/74/01/326957401.db2.gz MTMUACUMAQUXLO-QGZVFWFLSA-N 1 2 354.454 2.376 20 70 FEIDLO CCc1ccc([C@H](CO)NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160270759 326959997 /nfs/dbraw/zinc/95/99/97/326959997.db2.gz NXYFBWBHRUPFMQ-ROUUACIJSA-N 1 2 354.454 2.256 20 70 FEIDLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000159361826 545946378 /nfs/dbraw/zinc/94/63/78/545946378.db2.gz FUYFNKJFWCXLPS-KSFYIVLOSA-N 1 2 369.509 2.092 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@H](C)Cc2c(F)cccc2F)CCCC1 ZINC000159417362 545951900 /nfs/dbraw/zinc/95/19/00/545951900.db2.gz YTWZOAYUWYGUMD-CYBMUJFWSA-N 1 2 368.424 2.430 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@H](C)Cc2c(F)cccc2F)CCCC1 ZINC000159417362 545951902 /nfs/dbraw/zinc/95/19/02/545951902.db2.gz YTWZOAYUWYGUMD-CYBMUJFWSA-N 1 2 368.424 2.430 20 70 FEIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000159548382 545962543 /nfs/dbraw/zinc/96/25/43/545962543.db2.gz OIDGZAHXBHKSTA-AWEZNQCLSA-N 1 2 372.494 2.435 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CCCCCCC1 ZINC000159736837 545976463 /nfs/dbraw/zinc/97/64/63/545976463.db2.gz MYCCONKKBYKTOW-UHFFFAOYSA-N 1 2 374.485 2.394 20 70 FEIDLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1)c1ccccc1 ZINC000159774208 545979677 /nfs/dbraw/zinc/97/96/77/545979677.db2.gz KMUGKWGNYIAJMT-ICSRJNTNSA-N 1 2 366.465 2.130 20 70 FEIDLO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(C)n1)c1ccccc1 ZINC000159774208 545979680 /nfs/dbraw/zinc/97/96/80/545979680.db2.gz KMUGKWGNYIAJMT-ICSRJNTNSA-N 1 2 366.465 2.130 20 70 FEIDLO COc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1N1CCCC1=O ZINC000159821928 545983399 /nfs/dbraw/zinc/98/33/99/545983399.db2.gz JPZWZNBLLDAAGJ-ZDUSSCGKSA-N 1 2 354.410 2.220 20 70 FEIDLO COc1ccccc1[C@H](C)NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159826845 545984250 /nfs/dbraw/zinc/98/42/50/545984250.db2.gz XNOSSDPEZANQHT-GJZGRUSLSA-N 1 2 352.500 2.326 20 70 FEIDLO Cc1c(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cnn1C ZINC000160109877 546007423 /nfs/dbraw/zinc/00/74/23/546007423.db2.gz NQZXJNMZGGIOQG-UHFFFAOYSA-N 1 2 352.442 2.015 20 70 FEIDLO O=C(c1csc([C@H]2CCCO2)n1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160266823 546024952 /nfs/dbraw/zinc/02/49/52/546024952.db2.gz GCXYOKRBUCSFFQ-MRXNPFEDSA-N 1 2 358.467 2.348 20 70 FEIDLO Cc1cccc2nc(CNC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)[nH]c21 ZINC000160293973 546027553 /nfs/dbraw/zinc/02/75/53/546027553.db2.gz XLVXARLNPONDCY-GOSISDBHSA-N 1 2 364.449 2.389 20 70 FEIDLO Cc1cccc2nc(CNC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)[nH]c21 ZINC000160293973 546027557 /nfs/dbraw/zinc/02/75/57/546027557.db2.gz XLVXARLNPONDCY-GOSISDBHSA-N 1 2 364.449 2.389 20 70 FEIDLO O=C(Nc1nnc(C(F)(F)F)s1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160354076 546033040 /nfs/dbraw/zinc/03/30/40/546033040.db2.gz ZFRYEPXAHNEMMA-MRVPVSSYSA-N 1 2 358.349 2.352 20 70 FEIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000160415331 546038866 /nfs/dbraw/zinc/03/88/66/546038866.db2.gz WCPYVAMZKOTOOI-FUHWJXTLSA-N 1 2 358.486 2.044 20 70 FEIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)C(=O)N2CCCCC2)n1 ZINC000160415331 546038871 /nfs/dbraw/zinc/03/88/71/546038871.db2.gz WCPYVAMZKOTOOI-FUHWJXTLSA-N 1 2 358.486 2.044 20 70 FEIDLO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1OC(C)C ZINC000160414565 546039086 /nfs/dbraw/zinc/03/90/86/546039086.db2.gz LAKBSSCYEQETDG-OAHLLOKOSA-N 1 2 370.515 2.029 20 70 FEIDLO O=C1C[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCN1 ZINC000160483856 546044966 /nfs/dbraw/zinc/04/49/66/546044966.db2.gz SSUYFFKWQBTEAB-LBPRGKRZSA-N 1 2 356.266 2.490 20 70 FEIDLO O=C1C[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCN1 ZINC000160483856 546044970 /nfs/dbraw/zinc/04/49/70/546044970.db2.gz SSUYFFKWQBTEAB-LBPRGKRZSA-N 1 2 356.266 2.490 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc(-n2ccnn2)c1 ZINC000160512117 546047591 /nfs/dbraw/zinc/04/75/91/546047591.db2.gz UXEVZBODZYRZOC-UHFFFAOYSA-N 1 2 364.409 2.060 20 70 FEIDLO Cc1c(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160890839 546081916 /nfs/dbraw/zinc/08/19/16/546081916.db2.gz XVRSIEUHDXBIOV-RTBURBONSA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1c(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160890839 546081919 /nfs/dbraw/zinc/08/19/19/546081919.db2.gz XVRSIEUHDXBIOV-RTBURBONSA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1cccc([C@@H](CNC(=O)NOCc2cccnc2)[NH+]2CCOCC2)c1 ZINC000161070680 546097351 /nfs/dbraw/zinc/09/73/51/546097351.db2.gz DUZJMSWOZKEDCP-LJQANCHMSA-N 1 2 370.453 2.194 20 70 FEIDLO COc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC(F)F ZINC000161121107 546101932 /nfs/dbraw/zinc/10/19/32/546101932.db2.gz GGDVYWRKSBIKNH-CYBMUJFWSA-N 1 2 365.380 2.414 20 70 FEIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1c[nH]nc1C ZINC000161126286 546102773 /nfs/dbraw/zinc/10/27/73/546102773.db2.gz TXJSFOVUICAQAB-INIZCTEOSA-N 1 2 359.426 2.398 20 70 FEIDLO COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1c[nH]nc1C ZINC000161126286 546102779 /nfs/dbraw/zinc/10/27/79/546102779.db2.gz TXJSFOVUICAQAB-INIZCTEOSA-N 1 2 359.426 2.398 20 70 FEIDLO CNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1Cl ZINC000161141035 546103909 /nfs/dbraw/zinc/10/39/09/546103909.db2.gz NEKKBMPNPKAGBD-ZDUSSCGKSA-N 1 2 373.844 2.495 20 70 FEIDLO CCc1ncc(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)cn1 ZINC000161158544 546105926 /nfs/dbraw/zinc/10/59/26/546105926.db2.gz GCJMRXYCALAFKY-UHFFFAOYSA-N 1 2 355.442 2.397 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+]3CCC[C@H](OCC)C3)nc(N)c21 ZINC000161184769 546108205 /nfs/dbraw/zinc/10/82/05/546108205.db2.gz BKILFDXKJHDQBA-LBPRGKRZSA-N 1 2 362.430 2.291 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+]3CCC[C@H](OCC)C3)nc(N)c21 ZINC000161184769 546108208 /nfs/dbraw/zinc/10/82/08/546108208.db2.gz BKILFDXKJHDQBA-LBPRGKRZSA-N 1 2 362.430 2.291 20 70 FEIDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161292739 546116994 /nfs/dbraw/zinc/11/69/94/546116994.db2.gz ZIWLICIBGPAQBG-MFKMUULPSA-N 1 2 350.406 2.388 20 70 FEIDLO O=C(CCC(=O)N1CCC[C@@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000161319399 546120019 /nfs/dbraw/zinc/12/00/19/546120019.db2.gz GHMDSFXRNKDTHJ-ZWKOTPCHSA-N 1 2 370.497 2.302 20 70 FEIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000161370707 546124982 /nfs/dbraw/zinc/12/49/82/546124982.db2.gz CPODRQJBMNIYQG-OAHLLOKOSA-N 1 2 355.438 2.258 20 70 FEIDLO COC(=O)CSCc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161389730 546126221 /nfs/dbraw/zinc/12/62/21/546126221.db2.gz YIUATRFQXJJLPS-CQSZACIVSA-N 1 2 359.451 2.490 20 70 FEIDLO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC2 ZINC000161439881 546129130 /nfs/dbraw/zinc/12/91/30/546129130.db2.gz JMNKRNSGMVWBOR-ZIAGYGMSSA-N 1 2 357.462 2.376 20 70 FEIDLO Cc1ccsc1CNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161446405 546130497 /nfs/dbraw/zinc/13/04/97/546130497.db2.gz DXBZMPMVCASASN-CQSZACIVSA-N 1 2 350.406 2.308 20 70 FEIDLO Cc1[nH]c2ccccc2c1C(=O)CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000217181136 548680598 /nfs/dbraw/zinc/68/05/98/548680598.db2.gz GORXBGGZWNWLEG-UHFFFAOYSA-N 1 2 351.454 2.210 20 70 FEIDLO Cc1occc1C(=O)NCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159416686 326931072 /nfs/dbraw/zinc/93/10/72/326931072.db2.gz IRJGJAZZJHYHIL-ZDUSSCGKSA-N 1 2 361.467 2.285 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)c1ccc(Cl)cc1 ZINC000159871709 326944972 /nfs/dbraw/zinc/94/49/72/326944972.db2.gz OOCDSSFSKZFYJI-UHFFFAOYSA-N 1 2 352.862 2.340 20 70 FEIDLO COc1ccc(Cl)cc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000159898689 326946238 /nfs/dbraw/zinc/94/62/38/326946238.db2.gz XAIVIYSSHNHSAT-UHFFFAOYSA-N 1 2 358.891 2.030 20 70 FEIDLO C[C@H]1CN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)c[nH+]2)CCO1 ZINC000160078255 326952644 /nfs/dbraw/zinc/95/26/44/326952644.db2.gz ZNTKMJMOAWWXOX-KSSFIOAISA-N 1 2 364.515 2.392 20 70 FEIDLO O=C(C[NH+]1CCN(c2ccccn2)CC1)N[C@H]1CCOC2(CCCCC2)C1 ZINC000160351444 326962491 /nfs/dbraw/zinc/96/24/91/326962491.db2.gz FEGMXVSOIKZTQI-SFHVURJKSA-N 1 2 372.513 2.202 20 70 FEIDLO CSc1nc2ncnc(N3CCC[C@@H]3C[NH+]3CCOCC3)c2s1 ZINC000160391489 326964017 /nfs/dbraw/zinc/96/40/17/326964017.db2.gz IGIDENSXBKJJFW-LLVKDONJSA-N 1 2 351.501 2.109 20 70 FEIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000160401051 326964522 /nfs/dbraw/zinc/96/45/22/326964522.db2.gz NHZDLALXLIUENU-VHSXEESVSA-N 1 2 352.236 2.495 20 70 FEIDLO Cc1onc(-c2ccccn2)c1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000160846709 326979363 /nfs/dbraw/zinc/97/93/63/326979363.db2.gz GFGVQWUIWAKITN-LBPRGKRZSA-N 1 2 371.466 2.294 20 70 FEIDLO C[C@H](Oc1cccc(CO)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000161257348 326993447 /nfs/dbraw/zinc/99/34/47/326993447.db2.gz ZRDWTXDCOZRYIM-HNNXBMFYSA-N 1 2 355.438 2.258 20 70 FEIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159371454 545947870 /nfs/dbraw/zinc/94/78/70/545947870.db2.gz ORNOESXUAXEYMA-MRXNPFEDSA-N 1 2 370.457 2.237 20 70 FEIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)c2ccsc2)CC1 ZINC000159419133 545951933 /nfs/dbraw/zinc/95/19/33/545951933.db2.gz HANCISWXTSZREX-CYBMUJFWSA-N 1 2 363.508 2.445 20 70 FEIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000159455385 545955229 /nfs/dbraw/zinc/95/52/29/545955229.db2.gz ALAYVASWDKRJGG-LBPRGKRZSA-N 1 2 350.406 2.398 20 70 FEIDLO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000159455385 545955233 /nfs/dbraw/zinc/95/52/33/545955233.db2.gz ALAYVASWDKRJGG-LBPRGKRZSA-N 1 2 350.406 2.398 20 70 FEIDLO CN(C)C(=O)c1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159451454 545955472 /nfs/dbraw/zinc/95/54/72/545955472.db2.gz LUOFPXLYIFXMFA-ROUUACIJSA-N 1 2 358.438 2.306 20 70 FEIDLO CN(C)C(=O)c1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159451454 545955475 /nfs/dbraw/zinc/95/54/75/545955475.db2.gz LUOFPXLYIFXMFA-ROUUACIJSA-N 1 2 358.438 2.306 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H](CO)CC(C)(C)C ZINC000159502420 545959379 /nfs/dbraw/zinc/95/93/79/545959379.db2.gz LWKBTVZAYNASLV-AWEZNQCLSA-N 1 2 350.463 2.145 20 70 FEIDLO COc1ccccc1[C@H](C)NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159826576 545983883 /nfs/dbraw/zinc/98/38/83/545983883.db2.gz XNOSSDPEZANQHT-LSDHHAIUSA-N 1 2 352.500 2.326 20 70 FEIDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+](C)Cc1cccnc1 ZINC000160116853 546008693 /nfs/dbraw/zinc/00/86/93/546008693.db2.gz YXEIWHTYIDRNMI-INIZCTEOSA-N 1 2 354.454 2.274 20 70 FEIDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC000160116853 546008700 /nfs/dbraw/zinc/00/87/00/546008700.db2.gz YXEIWHTYIDRNMI-INIZCTEOSA-N 1 2 354.454 2.274 20 70 FEIDLO CC[N@@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1=CCCOC1 ZINC000160229049 546018739 /nfs/dbraw/zinc/01/87/39/546018739.db2.gz IKTNNMOVRCBZLZ-UHFFFAOYSA-N 1 2 359.426 2.109 20 70 FEIDLO CC[N@H+](Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)CC1=CCCOC1 ZINC000160229049 546018743 /nfs/dbraw/zinc/01/87/43/546018743.db2.gz IKTNNMOVRCBZLZ-UHFFFAOYSA-N 1 2 359.426 2.109 20 70 FEIDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000160384307 546035287 /nfs/dbraw/zinc/03/52/87/546035287.db2.gz SOXMVFUUDNNLNL-QZTJIDSGSA-N 1 2 353.422 2.473 20 70 FEIDLO CC[C@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160399885 546037442 /nfs/dbraw/zinc/03/74/42/546037442.db2.gz FOPKTKBGNPFHIV-CVEARBPZSA-N 1 2 354.516 2.447 20 70 FEIDLO Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000160513775 546047898 /nfs/dbraw/zinc/04/78/98/546047898.db2.gz PKHFURIHEFBUKK-UHFFFAOYSA-N 1 2 362.861 2.238 20 70 FEIDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(N2CCCC2=O)cc1 ZINC000160745517 546067809 /nfs/dbraw/zinc/06/78/09/546067809.db2.gz MNBKZMRGBOMEIW-HOCLYGCPSA-N 1 2 352.438 2.450 20 70 FEIDLO O=C(N[C@@H]1CCOC2(CCCC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160814235 546075616 /nfs/dbraw/zinc/07/56/16/546075616.db2.gz UCZMQLFQKPMANX-QGZVFWFLSA-N 1 2 358.486 2.401 20 70 FEIDLO Cc1nc2ccccn2c1C[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000160873553 546079771 /nfs/dbraw/zinc/07/97/71/546079771.db2.gz SSVUOIMGYOKSEF-UHFFFAOYSA-N 1 2 372.494 2.361 20 70 FEIDLO Cc1nc2ccccn2c1C[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000160873553 546079773 /nfs/dbraw/zinc/07/97/73/546079773.db2.gz SSVUOIMGYOKSEF-UHFFFAOYSA-N 1 2 372.494 2.361 20 70 FEIDLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000160884158 546081659 /nfs/dbraw/zinc/08/16/59/546081659.db2.gz WDLXEPWNGFHAJW-HNNXBMFYSA-N 1 2 368.481 2.210 20 70 FEIDLO CN(C)C(=O)Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160890687 546082288 /nfs/dbraw/zinc/08/22/88/546082288.db2.gz AVULALZHWIHVTB-KRWDZBQOSA-N 1 2 367.453 2.113 20 70 FEIDLO C[C@H](CNC(=O)NCCNc1ccc2ccccc2[nH+]1)Cn1cccn1 ZINC000161162617 546106008 /nfs/dbraw/zinc/10/60/08/546106008.db2.gz GVFDRRGHHMCKHO-OAHLLOKOSA-N 1 2 352.442 2.479 20 70 FEIDLO C[C@H](C(=O)NCc1ccc(F)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161226827 546111490 /nfs/dbraw/zinc/11/14/90/546111490.db2.gz BZPZLLNKAGEBMR-MRXNPFEDSA-N 1 2 356.445 2.043 20 70 FEIDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161226827 546111493 /nfs/dbraw/zinc/11/14/93/546111493.db2.gz BZPZLLNKAGEBMR-MRXNPFEDSA-N 1 2 356.445 2.043 20 70 FEIDLO COc1ccccc1CN(C)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161236177 546112768 /nfs/dbraw/zinc/11/27/68/546112768.db2.gz LTIIPNJMHSJTQA-QGZVFWFLSA-N 1 2 374.403 2.289 20 70 FEIDLO COCc1cccc(CNC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161254288 546114278 /nfs/dbraw/zinc/11/42/78/546114278.db2.gz HUCLRAKRQAMYOH-KRWDZBQOSA-N 1 2 374.403 2.084 20 70 FEIDLO O=C(COC[C@H]1CCOC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161383444 546125509 /nfs/dbraw/zinc/12/55/09/546125509.db2.gz JFDRVQMGVNWKLI-HNNXBMFYSA-N 1 2 352.862 2.037 20 70 FEIDLO COc1cc[nH+]cc1NC(=O)C(=O)NCC1(c2ccc(F)cc2)CCC1 ZINC000159388477 326929810 /nfs/dbraw/zinc/92/98/10/326929810.db2.gz QSYYZVBMBSILAJ-UHFFFAOYSA-N 1 2 357.385 2.406 20 70 FEIDLO Cc1cc(C)cc(OCCN(C)C(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160024782 326950937 /nfs/dbraw/zinc/95/09/37/326950937.db2.gz GMZSBNXANVQFGC-UHFFFAOYSA-N 1 2 366.527 2.206 20 70 FEIDLO CCN(CC)c1ccc(CNC(=O)N2CCCN(CC(F)F)CC2)c[nH+]1 ZINC000160222324 326958028 /nfs/dbraw/zinc/95/80/28/326958028.db2.gz JOCLMULVEVKDQM-UHFFFAOYSA-N 1 2 369.460 2.410 20 70 FEIDLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160594369 326970647 /nfs/dbraw/zinc/97/06/47/326970647.db2.gz GRCLZCFCPHPMSA-ZDUSSCGKSA-N 1 2 367.877 2.385 20 70 FEIDLO COc1ccc(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1O ZINC000160608180 326971277 /nfs/dbraw/zinc/97/12/77/326971277.db2.gz QIPDVLOQDPAQGE-UHFFFAOYSA-N 1 2 374.412 2.263 20 70 FEIDLO CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000160620369 326971752 /nfs/dbraw/zinc/97/17/52/326971752.db2.gz IFIPXZHZSUREFC-GDBMZVCRSA-N 1 2 359.401 2.395 20 70 FEIDLO COCC[NH+]1CCN(C(=O)c2cnn(-c3cc(C)ccc3C)c2C)CC1 ZINC000161185764 326991051 /nfs/dbraw/zinc/99/10/51/326991051.db2.gz DKNVTSIRMDGFCU-UHFFFAOYSA-N 1 2 356.470 2.202 20 70 FEIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC000161460649 327000208 /nfs/dbraw/zinc/00/02/08/327000208.db2.gz GGAAWUPZDABWND-UHFFFAOYSA-N 1 2 366.531 2.283 20 70 FEIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc(C(C)C)s2)CC1 ZINC000161460649 327000210 /nfs/dbraw/zinc/00/02/10/327000210.db2.gz GGAAWUPZDABWND-UHFFFAOYSA-N 1 2 366.531 2.283 20 70 FEIDLO CC(C)[C@@H](CNC(=O)c1csc([C@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161462396 327000229 /nfs/dbraw/zinc/00/02/29/327000229.db2.gz WMYVDWMTVMOTDA-HUUCEWRRSA-N 1 2 353.488 2.081 20 70 FEIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000159361976 545946599 /nfs/dbraw/zinc/94/65/99/545946599.db2.gz FUYFNKJFWCXLPS-OPAMFIHVSA-N 1 2 369.509 2.092 20 70 FEIDLO CCC[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)CC(=O)N(C)C ZINC000159499046 545958153 /nfs/dbraw/zinc/95/81/53/545958153.db2.gz VJJZGOMFOJHYDM-UHFFFAOYSA-N 1 2 363.506 2.202 20 70 FEIDLO CCC[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)CC(=O)N(C)C ZINC000159499046 545958156 /nfs/dbraw/zinc/95/81/56/545958156.db2.gz VJJZGOMFOJHYDM-UHFFFAOYSA-N 1 2 363.506 2.202 20 70 FEIDLO Cc1cc(N2CC[C@@H]([N@@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n(C)n1 ZINC000159632945 545968770 /nfs/dbraw/zinc/96/87/70/545968770.db2.gz BZMBCNJAJWCQKS-WIYYLYMNSA-N 1 2 366.465 2.008 20 70 FEIDLO Cc1cc(N2CC[C@@H]([N@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n(C)n1 ZINC000159632945 545968777 /nfs/dbraw/zinc/96/87/77/545968777.db2.gz BZMBCNJAJWCQKS-WIYYLYMNSA-N 1 2 366.465 2.008 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cn1 ZINC000159984588 545996910 /nfs/dbraw/zinc/99/69/10/545996910.db2.gz DCAHSHLHJFYLNF-UHFFFAOYSA-N 1 2 367.453 2.276 20 70 FEIDLO O=C(NCCc1nnc(-c2ccccc2)o1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000160013208 545998986 /nfs/dbraw/zinc/99/89/86/545998986.db2.gz SMEKNMASHYGIGJ-INIZCTEOSA-N 1 2 366.425 2.350 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000160091074 546007111 /nfs/dbraw/zinc/00/71/11/546007111.db2.gz BPXBZSZYJBWXHE-MRXNPFEDSA-N 1 2 362.474 2.202 20 70 FEIDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160585399 546053290 /nfs/dbraw/zinc/05/32/90/546053290.db2.gz HQUMKQPOCQXXBS-QUCCMNQESA-N 1 2 373.497 2.480 20 70 FEIDLO O=S(=O)(Cc1c(F)cccc1F)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160648283 546058719 /nfs/dbraw/zinc/05/87/19/546058719.db2.gz ZFZDYQLIKGXOLT-UHFFFAOYSA-N 1 2 367.421 2.448 20 70 FEIDLO CCC(=O)N1CCC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000160650589 546060626 /nfs/dbraw/zinc/06/06/26/546060626.db2.gz SCWOEXAYSTTYQF-UHFFFAOYSA-N 1 2 371.437 2.082 20 70 FEIDLO CCC(=O)N1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000160650589 546060628 /nfs/dbraw/zinc/06/06/28/546060628.db2.gz SCWOEXAYSTTYQF-UHFFFAOYSA-N 1 2 371.437 2.082 20 70 FEIDLO Cc1nc([C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160870955 546080132 /nfs/dbraw/zinc/08/01/32/546080132.db2.gz NHQOUONTMZWBDE-IAQYHMDHSA-N 1 2 358.377 2.191 20 70 FEIDLO Cc1ccc(C(=O)CC[N@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000161150395 546104793 /nfs/dbraw/zinc/10/47/93/546104793.db2.gz CJRRPUQSZUDBSQ-QZTJIDSGSA-N 1 2 365.495 2.236 20 70 FEIDLO Cc1ccc(C(=O)CC[N@@H+](C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000161150395 546104797 /nfs/dbraw/zinc/10/47/97/546104797.db2.gz CJRRPUQSZUDBSQ-QZTJIDSGSA-N 1 2 365.495 2.236 20 70 FEIDLO CCc1c(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[nH]c(C)c1C(N)=O ZINC000161200201 546109268 /nfs/dbraw/zinc/10/92/68/546109268.db2.gz GTCMDJPSFWWIQM-UHFFFAOYSA-N 1 2 365.437 2.159 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161201534 546109931 /nfs/dbraw/zinc/10/99/31/546109931.db2.gz APCAYXIQYDEZOW-QGZVFWFLSA-N 1 2 350.422 2.439 20 70 FEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000159954828 326948521 /nfs/dbraw/zinc/94/85/21/326948521.db2.gz BMCQTXHUKTUJJU-GDBMZVCRSA-N 1 2 350.484 2.080 20 70 FEIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCCN(CC(F)F)CC1 ZINC000160221054 326957582 /nfs/dbraw/zinc/95/75/82/326957582.db2.gz IYZJUIWYQOFGAH-UHFFFAOYSA-N 1 2 367.444 2.164 20 70 FEIDLO COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160396224 326964333 /nfs/dbraw/zinc/96/43/33/326964333.db2.gz QGAUVLMVIYJLNT-DOTOQJQBSA-N 1 2 373.840 2.270 20 70 FEIDLO CC(C)(CNC(=O)N1CCC[C@@H](Nc2ccccc2)C1)[NH+]1CCOCC1 ZINC000160709773 326974448 /nfs/dbraw/zinc/97/44/48/326974448.db2.gz UOTOJTXCLMTOSA-GOSISDBHSA-N 1 2 360.502 2.383 20 70 FEIDLO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160904037 326981570 /nfs/dbraw/zinc/98/15/70/326981570.db2.gz QDKLHZPUKYYPOY-AWEZNQCLSA-N 1 2 357.458 2.317 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(NC(=O)C2CC2)cc1 ZINC000161201391 326991539 /nfs/dbraw/zinc/99/15/39/326991539.db2.gz APCAYXIQYDEZOW-KRWDZBQOSA-N 1 2 350.422 2.439 20 70 FEIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1nc2ccccc2s1 ZINC000161409639 326998692 /nfs/dbraw/zinc/99/86/92/326998692.db2.gz ZFZFPNFGOSPCBQ-UHFFFAOYSA-N 1 2 354.435 2.458 20 70 FEIDLO CC1=C(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CCCO1 ZINC000161429299 326999335 /nfs/dbraw/zinc/99/93/35/326999335.db2.gz FKOLFIOOIUEWAN-UHFFFAOYSA-N 1 2 357.454 2.290 20 70 FEIDLO Cc1nc(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c(=O)[nH]c1C ZINC000159423825 545952854 /nfs/dbraw/zinc/95/28/54/545952854.db2.gz MMNMSIVEHZLEDH-SNVBAGLBSA-N 1 2 361.471 2.327 20 70 FEIDLO Cc1nc(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c(=O)[nH]c1C ZINC000159423825 545952859 /nfs/dbraw/zinc/95/28/59/545952859.db2.gz MMNMSIVEHZLEDH-SNVBAGLBSA-N 1 2 361.471 2.327 20 70 FEIDLO CSc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159484699 545957444 /nfs/dbraw/zinc/95/74/44/545957444.db2.gz OGLDWLKJHRXHGL-UHFFFAOYSA-N 1 2 372.556 2.387 20 70 FEIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCc2cccnc2)CC1 ZINC000159489135 545958806 /nfs/dbraw/zinc/95/88/06/545958806.db2.gz GBVPEDQEYACIPY-MRXNPFEDSA-N 1 2 356.445 2.216 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)cn1 ZINC000159987334 545998518 /nfs/dbraw/zinc/99/85/18/545998518.db2.gz VRAPJZBTORCBPH-UHFFFAOYSA-N 1 2 367.453 2.420 20 70 FEIDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC000160116738 546008774 /nfs/dbraw/zinc/00/87/74/546008774.db2.gz YXEIWHTYIDRNMI-MRXNPFEDSA-N 1 2 354.454 2.274 20 70 FEIDLO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC000160116738 546008778 /nfs/dbraw/zinc/00/87/78/546008778.db2.gz YXEIWHTYIDRNMI-MRXNPFEDSA-N 1 2 354.454 2.274 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000160279959 546025673 /nfs/dbraw/zinc/02/56/73/546025673.db2.gz XLVCPGUVGQUEBZ-SJPCQFCGSA-N 1 2 350.503 2.199 20 70 FEIDLO CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000160293530 546027476 /nfs/dbraw/zinc/02/74/76/546027476.db2.gz CLANPMUNJGVZNO-UHFFFAOYSA-N 1 2 361.364 2.059 20 70 FEIDLO CC[NH+](CC)[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)c1ccsc1 ZINC000160362445 546033934 /nfs/dbraw/zinc/03/39/34/546033934.db2.gz HBPOSCMYXRCRKZ-CQSZACIVSA-N 1 2 360.545 2.461 20 70 FEIDLO O=C(NCc1ccc(N2CCCCC2=O)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160383757 546035187 /nfs/dbraw/zinc/03/51/87/546035187.db2.gz CHLPEGXLSRAYMC-MRXNPFEDSA-N 1 2 352.438 2.279 20 70 FEIDLO CC(=O)N1CCc2cc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000160414257 546039068 /nfs/dbraw/zinc/03/90/68/546039068.db2.gz HNBFIQIMCREFKV-KRWDZBQOSA-N 1 2 365.437 2.391 20 70 FEIDLO Cc1[nH+]c2ccccn2c1CN1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000160545595 546050524 /nfs/dbraw/zinc/05/05/24/546050524.db2.gz IBQOHCVGGWIFFJ-UHFFFAOYSA-N 1 2 356.451 2.243 20 70 FEIDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000160582933 546054009 /nfs/dbraw/zinc/05/40/09/546054009.db2.gz MQWYNLSJOFERQN-ZWKOTPCHSA-N 1 2 353.422 2.473 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000160746460 546068298 /nfs/dbraw/zinc/06/82/98/546068298.db2.gz LOMJBQGSTRYKHC-CHWSQXEVSA-N 1 2 364.515 2.354 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000160746460 546068304 /nfs/dbraw/zinc/06/83/04/546068304.db2.gz LOMJBQGSTRYKHC-CHWSQXEVSA-N 1 2 364.515 2.354 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)n1 ZINC000160751214 546069199 /nfs/dbraw/zinc/06/91/99/546069199.db2.gz QHVKOPGCEHBNRP-UHFFFAOYSA-N 1 2 354.454 2.401 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCCN(C(=O)c3cccc(C)c3)CC2)n1 ZINC000160751214 546069208 /nfs/dbraw/zinc/06/92/08/546069208.db2.gz QHVKOPGCEHBNRP-UHFFFAOYSA-N 1 2 354.454 2.401 20 70 FEIDLO C[C@@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000160824886 546075630 /nfs/dbraw/zinc/07/56/30/546075630.db2.gz PUOHQPXZNYCTRD-DGCLKSJQSA-N 1 2 370.379 2.428 20 70 FEIDLO Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CCc3[nH]nc(C(F)(F)F)c3C1)C2 ZINC000161101059 546099995 /nfs/dbraw/zinc/09/99/95/546099995.db2.gz MVUCOYZMDLRMTL-QWRGUYRKSA-N 1 2 367.375 2.170 20 70 FEIDLO CCN(Cc1cccc(F)c1)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161203679 546109101 /nfs/dbraw/zinc/10/91/01/546109101.db2.gz IIPUEKPSTUHNJJ-UHFFFAOYSA-N 1 2 370.472 2.387 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1cccc(Cl)c1 ZINC000161207117 546109563 /nfs/dbraw/zinc/10/95/63/546109563.db2.gz BHJBFFWXXBIEMF-UHFFFAOYSA-N 1 2 358.873 2.169 20 70 FEIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(I)ccc1O ZINC000218125951 548685519 /nfs/dbraw/zinc/68/55/19/548685519.db2.gz HTYJCKJPNCQMRH-VIFPVBQESA-N 1 2 371.178 2.012 20 70 FEIDLO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000159473249 326932827 /nfs/dbraw/zinc/93/28/27/326932827.db2.gz GWZQSXCLBUEXEQ-CQSZACIVSA-N 1 2 364.465 2.129 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160293410 326960657 /nfs/dbraw/zinc/96/06/57/326960657.db2.gz DDNFUZUVQPRGCK-UHFFFAOYSA-N 1 2 371.372 2.125 20 70 FEIDLO COC(=O)c1csc(NC(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000161080474 326987164 /nfs/dbraw/zinc/98/71/64/326987164.db2.gz JEXYXIHBPFSGPN-UHFFFAOYSA-N 1 2 357.395 2.437 20 70 FEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)C[C@@H]3CCCCO3)CC2)s1 ZINC000159582603 545963904 /nfs/dbraw/zinc/96/39/04/545963904.db2.gz LNYVVRMJNOEDJJ-HNNXBMFYSA-N 1 2 372.556 2.327 20 70 FEIDLO Cn1cnc2cc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)cnc21 ZINC000159658830 545970626 /nfs/dbraw/zinc/97/06/26/545970626.db2.gz UURBQMDZDNBBLZ-UHFFFAOYSA-N 1 2 351.410 2.053 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159694097 545972963 /nfs/dbraw/zinc/97/29/63/545972963.db2.gz SFKPABXWIQATOT-IEBWSBKVSA-N 1 2 371.437 2.025 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159694097 545972965 /nfs/dbraw/zinc/97/29/65/545972965.db2.gz SFKPABXWIQATOT-IEBWSBKVSA-N 1 2 371.437 2.025 20 70 FEIDLO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CCNC(=O)C1 ZINC000159749472 545977472 /nfs/dbraw/zinc/97/74/72/545977472.db2.gz NWFMUSMZEJQYIO-CQSZACIVSA-N 1 2 370.478 2.166 20 70 FEIDLO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CCNC(=O)C1 ZINC000159749472 545977473 /nfs/dbraw/zinc/97/74/73/545977473.db2.gz NWFMUSMZEJQYIO-CQSZACIVSA-N 1 2 370.478 2.166 20 70 FEIDLO CCc1c(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[nH]c(C)c1C(N)=O ZINC000159759281 545978519 /nfs/dbraw/zinc/97/85/19/545978519.db2.gz VRUFMNQIMNDOAZ-UHFFFAOYSA-N 1 2 370.453 2.069 20 70 FEIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000159797873 545981557 /nfs/dbraw/zinc/98/15/57/545981557.db2.gz WTIUQBIRIYGCOO-PBHICJAKSA-N 1 2 367.877 2.223 20 70 FEIDLO COc1ccccc1N1CCC[C@@H](SCC[NH+]2CCOCC2)C1=O ZINC000160065980 546004854 /nfs/dbraw/zinc/00/48/54/546004854.db2.gz VKOZJRZRBPEKBN-QGZVFWFLSA-N 1 2 350.484 2.256 20 70 FEIDLO O=C1C[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCN1 ZINC000160483720 546045886 /nfs/dbraw/zinc/04/58/86/546045886.db2.gz SSUYFFKWQBTEAB-GFCCVEGCSA-N 1 2 356.266 2.490 20 70 FEIDLO O=C1C[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCN1 ZINC000160483720 546045888 /nfs/dbraw/zinc/04/58/88/546045888.db2.gz SSUYFFKWQBTEAB-GFCCVEGCSA-N 1 2 356.266 2.490 20 70 FEIDLO COc1ccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1O ZINC000160567838 546052409 /nfs/dbraw/zinc/05/24/09/546052409.db2.gz RNPOMSDIORBVIM-OAHLLOKOSA-N 1 2 356.426 2.264 20 70 FEIDLO CCCC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160768688 546070129 /nfs/dbraw/zinc/07/01/29/546070129.db2.gz HKQZHEVMWFPMHY-QGZVFWFLSA-N 1 2 351.516 2.471 20 70 FEIDLO CCCC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160768688 546070133 /nfs/dbraw/zinc/07/01/33/546070133.db2.gz HKQZHEVMWFPMHY-QGZVFWFLSA-N 1 2 351.516 2.471 20 70 FEIDLO Cc1nc([C@H](NC(=O)NCCCn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160869619 546080496 /nfs/dbraw/zinc/08/04/96/546080496.db2.gz RQFQKUVMMKEEAT-OAHLLOKOSA-N 1 2 358.377 2.193 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000160989704 546091405 /nfs/dbraw/zinc/09/14/05/546091405.db2.gz UPKFEIJAJALEBK-YOEHRIQHSA-N 1 2 374.485 2.202 20 70 FEIDLO CC1(C)C[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000161032981 546095270 /nfs/dbraw/zinc/09/52/70/546095270.db2.gz GSSBSOANOLINPH-CABCVRRESA-N 1 2 367.515 2.378 20 70 FEIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccnn1C ZINC000161125369 546102050 /nfs/dbraw/zinc/10/20/50/546102050.db2.gz ZVOKWQIFALFUMY-MRXNPFEDSA-N 1 2 359.426 2.100 20 70 FEIDLO COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccnn1C ZINC000161125369 546102053 /nfs/dbraw/zinc/10/20/53/546102053.db2.gz ZVOKWQIFALFUMY-MRXNPFEDSA-N 1 2 359.426 2.100 20 70 FEIDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161140919 546104263 /nfs/dbraw/zinc/10/42/63/546104263.db2.gz QWFHSIHRGVNUFS-XJKSGUPXSA-N 1 2 371.416 2.007 20 70 FEIDLO COc1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1C ZINC000159572311 326935783 /nfs/dbraw/zinc/93/57/83/326935783.db2.gz IMWPMHBEZAMSSV-UHFFFAOYSA-N 1 2 354.454 2.426 20 70 FEIDLO CCCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159742882 326940652 /nfs/dbraw/zinc/94/06/52/326940652.db2.gz KCUXSXINGPRAOV-CQSZACIVSA-N 1 2 362.474 2.250 20 70 FEIDLO CCc1nc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000159962532 326948734 /nfs/dbraw/zinc/94/87/34/326948734.db2.gz XJCXWJCTQIEQHR-UHFFFAOYSA-N 1 2 359.499 2.170 20 70 FEIDLO C[C@H](CCc1cccn1C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160412049 326964885 /nfs/dbraw/zinc/96/48/85/326964885.db2.gz HHQSBSSHTMDSLA-QGZVFWFLSA-N 1 2 355.486 2.269 20 70 FEIDLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000160540926 326969029 /nfs/dbraw/zinc/96/90/29/326969029.db2.gz XEDWCQYKOHWNPR-QGZVFWFLSA-N 1 2 358.442 2.198 20 70 FEIDLO C[C@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000160824752 326978748 /nfs/dbraw/zinc/97/87/48/326978748.db2.gz PUOHQPXZNYCTRD-AAEUAGOBSA-N 1 2 370.379 2.428 20 70 FEIDLO O=C(Nc1ccccc1Cn1cncn1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161166153 326990209 /nfs/dbraw/zinc/99/02/09/326990209.db2.gz ZVBHPZISXKFBGA-MRXNPFEDSA-N 1 2 363.425 2.122 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000161460027 326999986 /nfs/dbraw/zinc/99/99/86/326999986.db2.gz DVIKFDMNEIZOQE-DOTOQJQBSA-N 1 2 369.469 2.168 20 70 FEIDLO O=C(NCC[NH+]1CCOCC1)N[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000161506794 327001255 /nfs/dbraw/zinc/00/12/55/327001255.db2.gz NIJVIJNAOFESHT-ZDUSSCGKSA-N 1 2 367.318 2.200 20 70 FEIDLO COc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c(OC)c1 ZINC000159449344 545954501 /nfs/dbraw/zinc/95/45/01/545954501.db2.gz JRQPNVWPKOTYDR-UHFFFAOYSA-N 1 2 370.453 2.126 20 70 FEIDLO Cc1ccc(F)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159461030 545954888 /nfs/dbraw/zinc/95/48/88/545954888.db2.gz FSAORXNQVKJXTR-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C(N)=O)cc2)CC1 ZINC000159548530 545962763 /nfs/dbraw/zinc/96/27/63/545962763.db2.gz OIDGZAHXBHKSTA-CQSZACIVSA-N 1 2 372.494 2.435 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000159842428 545984793 /nfs/dbraw/zinc/98/47/93/545984793.db2.gz QPNGCZJOCOAIDC-UHFFFAOYSA-N 1 2 358.482 2.175 20 70 FEIDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cn(C)nc2C)c2nccn2C)c1 ZINC000159865589 545987684 /nfs/dbraw/zinc/98/76/84/545987684.db2.gz HXYXHAVHCXUOQE-GOSISDBHSA-N 1 2 355.442 2.358 20 70 FEIDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@H]1[C@H]1CCCCC1=O ZINC000160384427 546035059 /nfs/dbraw/zinc/03/50/59/546035059.db2.gz SOXMVFUUDNNLNL-MSOLQXFVSA-N 1 2 353.422 2.473 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)C[NH+]1CCOCC1 ZINC000160385478 546036516 /nfs/dbraw/zinc/03/65/16/546036516.db2.gz BLLVMPWOZUHLJE-LLVKDONJSA-N 1 2 367.298 2.240 20 70 FEIDLO COC(=O)[C@@H](C)[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000160420864 546040123 /nfs/dbraw/zinc/04/01/23/546040123.db2.gz LCNRDFUYFMAGNC-CQSZACIVSA-N 1 2 362.451 2.481 20 70 FEIDLO COC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000160420864 546040126 /nfs/dbraw/zinc/04/01/26/546040126.db2.gz LCNRDFUYFMAGNC-CQSZACIVSA-N 1 2 362.451 2.481 20 70 FEIDLO O=C([C@@H]1CCCCO1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000160460748 546042900 /nfs/dbraw/zinc/04/29/00/546042900.db2.gz QAXHNTCLNVYMLI-KRWDZBQOSA-N 1 2 352.862 2.432 20 70 FEIDLO CC(C)[C@H]1OCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160598931 546056050 /nfs/dbraw/zinc/05/60/50/546056050.db2.gz LPNCMYLFUZENFC-IEBWSBKVSA-N 1 2 360.502 2.360 20 70 FEIDLO COc1ccc(CN(C)C(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000161222931 546110835 /nfs/dbraw/zinc/11/08/35/546110835.db2.gz SXLSEKAYMDUWJK-KRWDZBQOSA-N 1 2 374.403 2.289 20 70 FEIDLO CCc1[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(C)c1C(=O)OC ZINC000161222681 546110946 /nfs/dbraw/zinc/11/09/46/546110946.db2.gz QWBOUQQHYDRIGW-CYBMUJFWSA-N 1 2 356.426 2.076 20 70 FEIDLO COc1ccc2c(c1)C=C(C(=O)N[C@H]1CCN(c3cccc[nH+]3)C1)CO2 ZINC000161276410 546115885 /nfs/dbraw/zinc/11/58/85/546115885.db2.gz NYIKMLSEAGECNK-INIZCTEOSA-N 1 2 351.406 2.261 20 70 FEIDLO CCCNC(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161288276 546117187 /nfs/dbraw/zinc/11/71/87/546117187.db2.gz STLOWAFTBRLWNV-QGZVFWFLSA-N 1 2 352.438 2.230 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC000161296288 546117932 /nfs/dbraw/zinc/11/79/32/546117932.db2.gz OVWWVOKHABUVKR-HOCLYGCPSA-N 1 2 374.485 2.108 20 70 FEIDLO O=C(CCC(=O)N1CCC[C@H]2CCC[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000161319276 546120044 /nfs/dbraw/zinc/12/00/44/546120044.db2.gz GHMDSFXRNKDTHJ-QZTJIDSGSA-N 1 2 370.497 2.302 20 70 FEIDLO COC(=O)C[C@H]1CSCC[N@@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161351147 546122053 /nfs/dbraw/zinc/12/20/53/546122053.db2.gz POOPXXCCECJDPJ-XJKSGUPXSA-N 1 2 366.458 2.302 20 70 FEIDLO COC(=O)C[C@H]1CSCC[N@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161351147 546122056 /nfs/dbraw/zinc/12/20/56/546122056.db2.gz POOPXXCCECJDPJ-XJKSGUPXSA-N 1 2 366.458 2.302 20 70 FEIDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c3ccsc3)CC1)CC2 ZINC000159626392 326937379 /nfs/dbraw/zinc/93/73/79/326937379.db2.gz WCKXJYVHCOVMLF-CJNGLKHVSA-N 1 2 374.514 2.051 20 70 FEIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@H]1CCO[C@H](C2CC2)C1 ZINC000160400770 326964277 /nfs/dbraw/zinc/96/42/77/326964277.db2.gz NHZDLALXLIUENU-UWVGGRQHSA-N 1 2 352.236 2.495 20 70 FEIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nc(C(C)(C)C)no1 ZINC000160489550 326967665 /nfs/dbraw/zinc/96/76/65/326967665.db2.gz LONILXZKJBHVQJ-AWEZNQCLSA-N 1 2 372.473 2.351 20 70 FEIDLO O=C(NCc1nc(C2CC2)cs1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160789777 326977329 /nfs/dbraw/zinc/97/73/29/326977329.db2.gz GYIMUCSHPNODLT-UHFFFAOYSA-N 1 2 357.483 2.443 20 70 FEIDLO Cc1nc([C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c2ccccc2F)no1 ZINC000160870812 326980178 /nfs/dbraw/zinc/98/01/78/326980178.db2.gz NHQOUONTMZWBDE-NHYWBVRUSA-N 1 2 358.377 2.191 20 70 FEIDLO Cc1csc([C@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000161239234 326992743 /nfs/dbraw/zinc/99/27/43/326992743.db2.gz YEMJSWKYGBHNEP-CQSZACIVSA-N 1 2 359.499 2.477 20 70 FEIDLO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000161251458 326993181 /nfs/dbraw/zinc/99/31/81/326993181.db2.gz JXHJDYGUUFOLOY-CQSZACIVSA-N 1 2 356.426 2.212 20 70 FEIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000159423634 545952212 /nfs/dbraw/zinc/95/22/12/545952212.db2.gz NIHGDTOVJDDFEA-GFCCVEGCSA-N 1 2 350.406 2.398 20 70 FEIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)c(F)c1 ZINC000159423634 545952217 /nfs/dbraw/zinc/95/22/17/545952217.db2.gz NIHGDTOVJDDFEA-GFCCVEGCSA-N 1 2 350.406 2.398 20 70 FEIDLO CSCCCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000159459145 545955054 /nfs/dbraw/zinc/95/50/54/545955054.db2.gz GATVFBCHROZIKX-MRXNPFEDSA-N 1 2 355.548 2.065 20 70 FEIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)NC(=O)NC1CCCCC1 ZINC000159454497 545955628 /nfs/dbraw/zinc/95/56/28/545955628.db2.gz FDARZYBGRVKCQZ-OAQYLSRUSA-N 1 2 371.481 2.319 20 70 FEIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)NC(=O)NC1CCCCC1 ZINC000159454497 545955630 /nfs/dbraw/zinc/95/56/30/545955630.db2.gz FDARZYBGRVKCQZ-OAQYLSRUSA-N 1 2 371.481 2.319 20 70 FEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)N3CCCCC3)CC2)s1 ZINC000159583487 545964561 /nfs/dbraw/zinc/96/45/61/545964561.db2.gz CMKQDPGGRULKRE-UHFFFAOYSA-N 1 2 357.545 2.159 20 70 FEIDLO CNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159612211 545967032 /nfs/dbraw/zinc/96/70/32/545967032.db2.gz KGTPBIONVBNZGY-JTQLQIEISA-N 1 2 351.248 2.283 20 70 FEIDLO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccc(Br)cc3[nH]2)C1 ZINC000159612211 545967037 /nfs/dbraw/zinc/96/70/37/545967037.db2.gz KGTPBIONVBNZGY-JTQLQIEISA-N 1 2 351.248 2.283 20 70 FEIDLO O=C(CCc1cc2ccccc2[nH]c1=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000159717353 545975623 /nfs/dbraw/zinc/97/56/23/545975623.db2.gz PNIOVHLQUIYZHO-UHFFFAOYSA-N 1 2 364.449 2.352 20 70 FEIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2cnn(CC)c2)CC1 ZINC000159739374 545976594 /nfs/dbraw/zinc/97/65/94/545976594.db2.gz DHLCWJPQKFMNKK-AWEZNQCLSA-N 1 2 350.463 2.285 20 70 FEIDLO COc1ccccc1[C@@H](C)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159779129 545979916 /nfs/dbraw/zinc/97/99/16/545979916.db2.gz QTXDYCRAUIDMCE-OAHLLOKOSA-N 1 2 352.500 2.280 20 70 FEIDLO Cc1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000160065427 546004845 /nfs/dbraw/zinc/00/48/45/546004845.db2.gz JBDFQXWGEHFRTI-CYBMUJFWSA-N 1 2 351.453 2.243 20 70 FEIDLO Cc1ccc(S(=O)(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)s1 ZINC000160121515 546009295 /nfs/dbraw/zinc/00/92/95/546009295.db2.gz XQHSOEFZOBFBIL-AWEZNQCLSA-N 1 2 370.496 2.159 20 70 FEIDLO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000160157413 546012054 /nfs/dbraw/zinc/01/20/54/546012054.db2.gz PUGVOXJVKDECEZ-ZIAGYGMSSA-N 1 2 368.319 2.305 20 70 FEIDLO CCCOc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1OC ZINC000161015701 546092833 /nfs/dbraw/zinc/09/28/33/546092833.db2.gz PPJZTBLHVCZEJR-SFHVURJKSA-N 1 2 362.470 2.307 20 70 FEIDLO CC[N@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccn1 ZINC000161044241 546095382 /nfs/dbraw/zinc/09/53/82/546095382.db2.gz XZTLKFNMVNYKOF-UHFFFAOYSA-N 1 2 358.467 2.191 20 70 FEIDLO CC[N@@H+](CC(=O)Nc1sc2c(c1C(N)=O)CCC2)Cc1ccccn1 ZINC000161044241 546095385 /nfs/dbraw/zinc/09/53/85/546095385.db2.gz XZTLKFNMVNYKOF-UHFFFAOYSA-N 1 2 358.467 2.191 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000161117626 546101723 /nfs/dbraw/zinc/10/17/23/546101723.db2.gz RTCINDPFFHBWAW-GJZGRUSLSA-N 1 2 362.474 2.209 20 70 FEIDLO CC(C)[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccncc2)no1 ZINC000161136514 546103117 /nfs/dbraw/zinc/10/31/17/546103117.db2.gz UCUIRKDWJWTCAC-ZBFHGGJFSA-N 1 2 366.425 2.404 20 70 FEIDLO Cc1nn(C)c(=O)c(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000161256909 546113910 /nfs/dbraw/zinc/11/39/10/546113910.db2.gz ZVOMRSIBUMHGCQ-UHFFFAOYSA-N 1 2 374.872 2.009 20 70 FEIDLO COc1cccc(NC(=O)[C@@H]([NH2+][C@H]2CCN(C)C2=O)c2ccccc2)c1 ZINC000161273406 546115599 /nfs/dbraw/zinc/11/55/99/546115599.db2.gz VBXIKIVXBQKVEY-ROUUACIJSA-N 1 2 353.422 2.195 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC000161296375 546118139 /nfs/dbraw/zinc/11/81/39/546118139.db2.gz OVWWVOKHABUVKR-GDBMZVCRSA-N 1 2 374.485 2.108 20 70 FEIDLO O=C(CCC(=O)N1CCC[C@@H]2CCC[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000161319164 546119962 /nfs/dbraw/zinc/11/99/62/546119962.db2.gz GHMDSFXRNKDTHJ-ROUUACIJSA-N 1 2 370.497 2.302 20 70 FEIDLO CCOc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000218103157 548684636 /nfs/dbraw/zinc/68/46/36/548684636.db2.gz WCWOOCAQTNAJQJ-OAHLLOKOSA-N 1 2 361.467 2.346 20 70 FEIDLO CCC(CC)(CC)CNC(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000159757427 326940932 /nfs/dbraw/zinc/94/09/32/326940932.db2.gz PTZHAIZDZVMNJY-OAHLLOKOSA-N 1 2 352.523 2.197 20 70 FEIDLO COc1cc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000160005742 326950361 /nfs/dbraw/zinc/95/03/61/326950361.db2.gz XMWQIHGFDKUQFJ-STQMWFEESA-N 1 2 359.426 2.349 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(N2CCCC2=O)ccc1F ZINC000160041140 326951364 /nfs/dbraw/zinc/95/13/64/326951364.db2.gz NRDOGSXZKUCBTM-UHFFFAOYSA-N 1 2 370.428 2.458 20 70 FEIDLO CCCOc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160063419 326951920 /nfs/dbraw/zinc/95/19/20/326951920.db2.gz BYNAPJSLIBOGGO-UHFFFAOYSA-N 1 2 352.500 2.157 20 70 FEIDLO Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1C ZINC000160407626 326964555 /nfs/dbraw/zinc/96/45/55/326964555.db2.gz OZUVKMHLDLAUAO-ZDUSSCGKSA-N 1 2 354.516 2.167 20 70 FEIDLO O=C(NCCOc1ccc(Br)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160861288 326979971 /nfs/dbraw/zinc/97/99/71/326979971.db2.gz GOEGFGUVHDXPLJ-LBPRGKRZSA-N 1 2 364.243 2.403 20 70 FEIDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161212917 326991940 /nfs/dbraw/zinc/99/19/40/326991940.db2.gz KWROQKSDTQFUNX-IAQYHMDHSA-N 1 2 362.367 2.466 20 70 FEIDLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000159362213 545946884 /nfs/dbraw/zinc/94/68/84/545946884.db2.gz FUYFNKJFWCXLPS-ZHRRBRCNSA-N 1 2 369.509 2.092 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H](CO)CC(C)(C)C ZINC000159502560 545959651 /nfs/dbraw/zinc/95/96/51/545959651.db2.gz LWKBTVZAYNASLV-CQSZACIVSA-N 1 2 350.463 2.145 20 70 FEIDLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCC[C@@H]1O ZINC000159619995 545967095 /nfs/dbraw/zinc/96/70/95/545967095.db2.gz ZSGXJDHCDOTVGX-RISCZKNCSA-N 1 2 366.263 2.018 20 70 FEIDLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@H]1CCC[C@@H]1O ZINC000159619995 545967097 /nfs/dbraw/zinc/96/70/97/545967097.db2.gz ZSGXJDHCDOTVGX-RISCZKNCSA-N 1 2 366.263 2.018 20 70 FEIDLO Cc1cc(N2CC[C@H]([N@@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n(C)n1 ZINC000159632782 545968298 /nfs/dbraw/zinc/96/82/98/545968298.db2.gz BZMBCNJAJWCQKS-GHTZIAJQSA-N 1 2 366.465 2.008 20 70 FEIDLO Cc1cc(N2CC[C@H]([N@H+]3CCO[C@]4(CCc5ccccc54)C3)C2=O)n(C)n1 ZINC000159632782 545968301 /nfs/dbraw/zinc/96/83/01/545968301.db2.gz BZMBCNJAJWCQKS-GHTZIAJQSA-N 1 2 366.465 2.008 20 70 FEIDLO COCCS(=O)(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000159623411 545968342 /nfs/dbraw/zinc/96/83/42/545968342.db2.gz IBXIQPNUILGHOZ-UHFFFAOYSA-N 1 2 372.490 2.350 20 70 FEIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C1 ZINC000159693047 545973192 /nfs/dbraw/zinc/97/31/92/545973192.db2.gz SQUJPDOZEXVGIN-CVEARBPZSA-N 1 2 372.473 2.140 20 70 FEIDLO O=S(=O)(c1cccnc1)N1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000159880811 545988397 /nfs/dbraw/zinc/98/83/97/545988397.db2.gz IQUFJYQEAYVQIH-UHFFFAOYSA-N 1 2 368.462 2.136 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCC1CCCCC1 ZINC000160119277 546009168 /nfs/dbraw/zinc/00/91/68/546009168.db2.gz ADKUDDFKOHRYEX-UHFFFAOYSA-N 1 2 374.485 2.252 20 70 FEIDLO CCn1nccc1C[N@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000160222416 546018699 /nfs/dbraw/zinc/01/86/99/546018699.db2.gz XDWXJSKJDOQOBV-UHFFFAOYSA-N 1 2 371.485 2.200 20 70 FEIDLO CCn1nccc1C[N@@H+](CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000160222416 546018703 /nfs/dbraw/zinc/01/87/03/546018703.db2.gz XDWXJSKJDOQOBV-UHFFFAOYSA-N 1 2 371.485 2.200 20 70 FEIDLO Cc1[nH+]c2ccccc2n1CCCNC(=O)CS(=O)(=O)C(C)(C)C ZINC000160397348 546035969 /nfs/dbraw/zinc/03/59/69/546035969.db2.gz RNVRSAZOQIBCTB-UHFFFAOYSA-N 1 2 351.472 2.064 20 70 FEIDLO CCc1noc(CC)c1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160664141 546061305 /nfs/dbraw/zinc/06/13/05/546061305.db2.gz LRNJTLFWDYNYJE-UHFFFAOYSA-N 1 2 357.458 2.222 20 70 FEIDLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCN(CC(F)F)CC1 ZINC000160905671 546083126 /nfs/dbraw/zinc/08/31/26/546083126.db2.gz HUCXYNIYSFZRKJ-UHFFFAOYSA-N 1 2 363.412 2.355 20 70 FEIDLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)NCc1ccccc1CO ZINC000161123923 546102123 /nfs/dbraw/zinc/10/21/23/546102123.db2.gz ITBJDFHTYASKRG-UHFFFAOYSA-N 1 2 364.449 2.466 20 70 FEIDLO O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161140805 546104344 /nfs/dbraw/zinc/10/43/44/546104344.db2.gz QWFHSIHRGVNUFS-CJNGLKHVSA-N 1 2 371.416 2.007 20 70 FEIDLO COc1ccc(Cl)cc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161152315 546104852 /nfs/dbraw/zinc/10/48/52/546104852.db2.gz HULOUFURRZGLKH-UHFFFAOYSA-N 1 2 374.872 2.500 20 70 FEIDLO O=C(Nc1cccc(N2CCOCC2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161150119 546104883 /nfs/dbraw/zinc/10/48/83/546104883.db2.gz CHFDBDTZXRUHCZ-KRWDZBQOSA-N 1 2 367.453 2.319 20 70 FEIDLO CC(=O)c1cccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161159987 546105633 /nfs/dbraw/zinc/10/56/33/546105633.db2.gz ZYEACCBLPWHYSJ-MRXNPFEDSA-N 1 2 366.465 2.429 20 70 FEIDLO CC(C)[NH+](CCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)C(C)C ZINC000161185637 546107950 /nfs/dbraw/zinc/10/79/50/546107950.db2.gz JPXPQVSFCBSLHQ-UHFFFAOYSA-N 1 2 365.503 2.245 20 70 FEIDLO C[C@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161209679 546110652 /nfs/dbraw/zinc/11/06/52/546110652.db2.gz APBLEZBUEPKQCK-MRXNPFEDSA-N 1 2 358.511 2.008 20 70 FEIDLO C[C@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161209679 546110656 /nfs/dbraw/zinc/11/06/56/546110656.db2.gz APBLEZBUEPKQCK-MRXNPFEDSA-N 1 2 358.511 2.008 20 70 FEIDLO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161221528 546110738 /nfs/dbraw/zinc/11/07/38/546110738.db2.gz UTOXVBLWDZPJCF-INIZCTEOSA-N 1 2 354.454 2.235 20 70 FEIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCc1cc(F)cc(F)c1 ZINC000161324144 546120231 /nfs/dbraw/zinc/12/02/31/546120231.db2.gz DKBIXNDMWZRHKI-HNNXBMFYSA-N 1 2 366.330 2.216 20 70 FEIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](CCSc2ccccc2F)CC1 ZINC000159453173 326932073 /nfs/dbraw/zinc/93/20/73/326932073.db2.gz KUCHGZGGPABZKZ-UHFFFAOYSA-N 1 2 361.442 2.064 20 70 FEIDLO C[NH+](C)Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1 ZINC000159766436 326941418 /nfs/dbraw/zinc/94/14/18/326941418.db2.gz GHTJDFQKSOKYGS-UHFFFAOYSA-N 1 2 374.466 2.174 20 70 FEIDLO CC(C)OCc1ccccc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000159990941 326949827 /nfs/dbraw/zinc/94/98/27/326949827.db2.gz VYEFIIXNIVLMDB-UHFFFAOYSA-N 1 2 366.527 2.293 20 70 FEIDLO COCc1nc(C)c(C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000160004369 326950055 /nfs/dbraw/zinc/95/00/55/326950055.db2.gz YKVOMIDSQWAUIJ-UMVBOHGHSA-N 1 2 367.515 2.312 20 70 FEIDLO CN(CC[NH+]1CCOCC1)C(=O)CSc1cccc(Br)c1 ZINC000160515044 326968088 /nfs/dbraw/zinc/96/80/88/326968088.db2.gz DYTNEGCXLQVJCR-UHFFFAOYSA-N 1 2 373.316 2.332 20 70 FEIDLO CCn1nc(C)c(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)c1C ZINC000160605389 326971315 /nfs/dbraw/zinc/97/13/15/326971315.db2.gz GJXNLPAMCWQHTA-UHFFFAOYSA-N 1 2 374.460 2.382 20 70 FEIDLO Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1CCc3[nH]nc(C(F)(F)F)c3C1)C2 ZINC000161100945 326988105 /nfs/dbraw/zinc/98/81/05/326988105.db2.gz MVUCOYZMDLRMTL-GHMZBOCLSA-N 1 2 367.375 2.170 20 70 FEIDLO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161416293 326998603 /nfs/dbraw/zinc/99/86/03/326998603.db2.gz XHMFCVIAERYJBN-CJNGLKHVSA-N 1 2 358.404 2.369 20 70 FEIDLO CC(C)(C)[C@@H](CCO)NC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161505362 327001299 /nfs/dbraw/zinc/00/12/99/327001299.db2.gz XINAKFIWDHUIGJ-QZTJIDSGSA-N 1 2 363.502 2.156 20 70 FEIDLO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCc2cccnc2)CC1 ZINC000159489029 545958593 /nfs/dbraw/zinc/95/85/93/545958593.db2.gz GBVPEDQEYACIPY-INIZCTEOSA-N 1 2 356.445 2.216 20 70 FEIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000159685502 545972948 /nfs/dbraw/zinc/97/29/48/545972948.db2.gz SMIWKKZXUHEEFT-LJQANCHMSA-N 1 2 359.514 2.124 20 70 FEIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000159685502 545972950 /nfs/dbraw/zinc/97/29/50/545972950.db2.gz SMIWKKZXUHEEFT-LJQANCHMSA-N 1 2 359.514 2.124 20 70 FEIDLO CCc1c(C(=O)NCCn2c(C)[nH+]c3ccccc32)[nH]c(C)c1C(N)=O ZINC000159822518 545983781 /nfs/dbraw/zinc/98/37/81/545983781.db2.gz MHSXDQJBIRNONJ-UHFFFAOYSA-N 1 2 353.426 2.073 20 70 FEIDLO CC[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000159910151 545991871 /nfs/dbraw/zinc/99/18/71/545991871.db2.gz UNQPKIJCLCQCLM-GOSISDBHSA-N 1 2 360.433 2.487 20 70 FEIDLO NC(=O)C[C@H]1CCCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159927839 545992423 /nfs/dbraw/zinc/99/24/23/545992423.db2.gz YOAUERJYIDFNNT-OAHLLOKOSA-N 1 2 371.441 2.081 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000160249982 546022523 /nfs/dbraw/zinc/02/25/23/546022523.db2.gz XKZHQNMLLYOWDM-KRWDZBQOSA-N 1 2 356.426 2.136 20 70 FEIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N1CCN(c2cccc[nH+]2)CC1 ZINC000160584290 546053686 /nfs/dbraw/zinc/05/36/86/546053686.db2.gz SLPWWTJVVGJKKJ-UHFFFAOYSA-N 1 2 354.336 2.195 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)C[C@H]3CCCCO3)nc(N)c21 ZINC000160667347 546061293 /nfs/dbraw/zinc/06/12/93/546061293.db2.gz ZYCHUDMJLSTTLW-GFCCVEGCSA-N 1 2 362.430 2.291 20 70 FEIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)C[C@H]3CCCCO3)nc(N)c21 ZINC000160667347 546061295 /nfs/dbraw/zinc/06/12/95/546061295.db2.gz ZYCHUDMJLSTTLW-GFCCVEGCSA-N 1 2 362.430 2.291 20 70 FEIDLO CCCCCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161060138 546097434 /nfs/dbraw/zinc/09/74/34/546097434.db2.gz WLMQZXHOFHHBKS-IAGOWNOFSA-N 1 2 360.502 2.381 20 70 FEIDLO C[C@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161180441 546107103 /nfs/dbraw/zinc/10/71/03/546107103.db2.gz UWOAQBIGBATTLX-QGZVFWFLSA-N 1 2 350.466 2.177 20 70 FEIDLO Cc1csc([C@@H](C)CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000161239117 546112513 /nfs/dbraw/zinc/11/25/13/546112513.db2.gz YEMJSWKYGBHNEP-AWEZNQCLSA-N 1 2 359.499 2.477 20 70 FEIDLO COc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(OC)c1OC ZINC000218097039 548685573 /nfs/dbraw/zinc/68/55/73/548685573.db2.gz SNSQRRIOSIDTRX-ZDUSSCGKSA-N 1 2 357.410 2.116 20 70 FEIDLO CC[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)c1ccc(F)cc1 ZINC000159909979 326946484 /nfs/dbraw/zinc/94/64/84/326946484.db2.gz UNQPKIJCLCQCLM-SFHVURJKSA-N 1 2 360.433 2.487 20 70 FEIDLO COC[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000159978949 326949309 /nfs/dbraw/zinc/94/93/09/326949309.db2.gz NOYPITIVUMDHND-LJQANCHMSA-N 1 2 354.454 2.297 20 70 FEIDLO c1coc(Cn2c(SCCn3cc[nH+]c3)nnc2-c2cnccn2)c1 ZINC000160185452 326956402 /nfs/dbraw/zinc/95/64/02/326956402.db2.gz OZPHCQFBUFTLOL-UHFFFAOYSA-N 1 2 353.411 2.365 20 70 FEIDLO C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CCOCC1 ZINC000160394546 326964274 /nfs/dbraw/zinc/96/42/74/326964274.db2.gz RDLICJTYTAYPNC-GDBMZVCRSA-N 1 2 352.500 2.300 20 70 FEIDLO Cc1ccc2[nH+]c(COc3ccc(C(=O)NC4(CO)CC4)cc3)cn2c1 ZINC000160438816 326965788 /nfs/dbraw/zinc/96/57/88/326965788.db2.gz SOEWDTILYPDPFP-UHFFFAOYSA-N 1 2 351.406 2.476 20 70 FEIDLO O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160446379 326965988 /nfs/dbraw/zinc/96/59/88/326965988.db2.gz NOZMFAUGXBPSGC-KRWDZBQOSA-N 1 2 365.437 2.374 20 70 FEIDLO CCc1cnc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000160455381 326966212 /nfs/dbraw/zinc/96/62/12/326966212.db2.gz YEVWRTQLQQRRLT-UHFFFAOYSA-N 1 2 359.499 2.170 20 70 FEIDLO Cc1cccc(N(C)C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000161241154 326993090 /nfs/dbraw/zinc/99/30/90/326993090.db2.gz YIKHPIDWJILVOA-UHFFFAOYSA-N 1 2 366.465 2.482 20 70 FEIDLO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161416526 326998684 /nfs/dbraw/zinc/99/86/84/326998684.db2.gz XHMFCVIAERYJBN-CZUORRHYSA-N 1 2 358.404 2.369 20 70 FEIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N[C@H]1CCOc2ccccc21 ZINC000161465045 327000006 /nfs/dbraw/zinc/00/00/06/327000006.db2.gz XXSFXYXOGXMPKU-WMLDXEAASA-N 1 2 372.387 2.262 20 70 FEIDLO COc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC(F)F ZINC000159792590 545980594 /nfs/dbraw/zinc/98/05/94/545980594.db2.gz HSAVFROAVABCDX-LBPRGKRZSA-N 1 2 351.353 2.372 20 70 FEIDLO Cc1ccc(CNC(=O)c2nnc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)s2)cc1 ZINC000159824891 545984155 /nfs/dbraw/zinc/98/41/55/545984155.db2.gz NNNJSOMSIVBXND-HOTGVXAUSA-N 1 2 374.510 2.369 20 70 FEIDLO Cc1ccc(CNC(=O)c2nnc(C[N@@H+](C)C[C@@H]3CCC[C@@H]3O)s2)cc1 ZINC000159824891 545984158 /nfs/dbraw/zinc/98/41/58/545984158.db2.gz NNNJSOMSIVBXND-HOTGVXAUSA-N 1 2 374.510 2.369 20 70 FEIDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2c(c1)ncn2C)c1ccc(F)cc1 ZINC000160048292 546003088 /nfs/dbraw/zinc/00/30/88/546003088.db2.gz TUAILBYRCAMSKF-MRXNPFEDSA-N 1 2 364.384 2.360 20 70 FEIDLO Cc1ccc(C(=O)CC[NH+]2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1 ZINC000160123908 546009755 /nfs/dbraw/zinc/00/97/55/546009755.db2.gz HOQNPUIQTHAWDK-GOSISDBHSA-N 1 2 357.498 2.196 20 70 FEIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000160202340 546016681 /nfs/dbraw/zinc/01/66/81/546016681.db2.gz WLBCZJQDPWGUJS-UHFFFAOYSA-N 1 2 363.464 2.240 20 70 FEIDLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Oc1ccccc1 ZINC000160209098 546017702 /nfs/dbraw/zinc/01/77/02/546017702.db2.gz MTMUACUMAQUXLO-KRWDZBQOSA-N 1 2 354.454 2.376 20 70 FEIDLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160391156 546035999 /nfs/dbraw/zinc/03/59/99/546035999.db2.gz GACQJDWFCAGPNJ-HNNXBMFYSA-N 1 2 359.470 2.264 20 70 FEIDLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160391156 546036004 /nfs/dbraw/zinc/03/60/04/546036004.db2.gz GACQJDWFCAGPNJ-HNNXBMFYSA-N 1 2 359.470 2.264 20 70 FEIDLO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160411223 546038687 /nfs/dbraw/zinc/03/86/87/546038687.db2.gz YYKIXCZRBFHTQU-MRXNPFEDSA-N 1 2 350.846 2.282 20 70 FEIDLO O=C(CCC(=O)c1ccc(Cl)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160411223 546038692 /nfs/dbraw/zinc/03/86/92/546038692.db2.gz YYKIXCZRBFHTQU-MRXNPFEDSA-N 1 2 350.846 2.282 20 70 FEIDLO C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(N2CCOC2=O)c1 ZINC000160746317 546067664 /nfs/dbraw/zinc/06/76/64/546067664.db2.gz UJFICTHSJKQSRH-ZFWWWQNUSA-N 1 2 354.410 2.280 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000160746323 546067685 /nfs/dbraw/zinc/06/76/85/546067685.db2.gz LOMJBQGSTRYKHC-STQMWFEESA-N 1 2 364.515 2.354 20 70 FEIDLO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000160746323 546067689 /nfs/dbraw/zinc/06/76/89/546067689.db2.gz LOMJBQGSTRYKHC-STQMWFEESA-N 1 2 364.515 2.354 20 70 FEIDLO CC[C@@H](C)NC(=O)CCNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000161163121 546106144 /nfs/dbraw/zinc/10/61/44/546106144.db2.gz FRBZGYNFKRZMBQ-CQSZACIVSA-N 1 2 357.458 2.251 20 70 FEIDLO Cn1ncc2c1nc[nH+]c2N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000161318601 546119428 /nfs/dbraw/zinc/11/94/28/546119428.db2.gz CSKZMPIHHZUUIA-INIZCTEOSA-N 1 2 350.426 2.009 20 70 FEIDLO COc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218104452 548685456 /nfs/dbraw/zinc/68/54/56/548685456.db2.gz QBISQLJLJYYXIO-ZDUSSCGKSA-N 1 2 367.858 2.301 20 70 FEIDLO Cc1ccccc1CS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159462114 326932452 /nfs/dbraw/zinc/93/24/52/326932452.db2.gz LPLVBEAKULOTSL-UHFFFAOYSA-N 1 2 354.516 2.115 20 70 FEIDLO Cc1cccn2cc(CNC(=O)c3cc(N4CCNC4=O)ccc3F)[nH+]c12 ZINC000159472943 326932829 /nfs/dbraw/zinc/93/28/29/326932829.db2.gz VWIJXXPAJONORS-UHFFFAOYSA-N 1 2 367.384 2.241 20 70 FEIDLO Cc1nc2n(n1)C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c3ccsc3)CC1)CC2 ZINC000159626134 326937205 /nfs/dbraw/zinc/93/72/05/326937205.db2.gz WCKXJYVHCOVMLF-BBRMVZONSA-N 1 2 374.514 2.051 20 70 FEIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1OC(F)F ZINC000159774565 326941440 /nfs/dbraw/zinc/94/14/40/326941440.db2.gz ISNUENXRTNVOIS-HNNXBMFYSA-N 1 2 372.437 2.459 20 70 FEIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000160470611 326966821 /nfs/dbraw/zinc/96/68/21/326966821.db2.gz JCKWRXNXAVJGPF-OAHLLOKOSA-N 1 2 350.426 2.096 20 70 FEIDLO CN(CCC(=O)OC(C)(C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160675749 326973331 /nfs/dbraw/zinc/97/33/31/326973331.db2.gz JMZPXGZCCNTTMN-UHFFFAOYSA-N 1 2 362.474 2.424 20 70 FEIDLO CCO[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C12CCC2 ZINC000160710018 326974634 /nfs/dbraw/zinc/97/46/34/326974634.db2.gz NFDYEABWCGOMOT-HOTGVXAUSA-N 1 2 353.507 2.086 20 70 FEIDLO CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000160775945 326976775 /nfs/dbraw/zinc/97/67/75/326976775.db2.gz YSWAZKSDBATUKP-UHFFFAOYSA-N 1 2 367.515 2.292 20 70 FEIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000161088578 326987400 /nfs/dbraw/zinc/98/74/00/326987400.db2.gz XLOALUCOCMYVSS-QGZVFWFLSA-N 1 2 374.462 2.098 20 70 FEIDLO COCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(-c3ccncc3)n1)CC2 ZINC000161334281 326996181 /nfs/dbraw/zinc/99/61/81/326996181.db2.gz QDATXGLNMNOKOQ-CQSZACIVSA-N 1 2 351.414 2.012 20 70 FEIDLO CC(C)[C@@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161462123 327000177 /nfs/dbraw/zinc/00/01/77/327000177.db2.gz WMYVDWMTVMOTDA-CABCVRRESA-N 1 2 353.488 2.081 20 70 FEIDLO C[NH+]1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Br)CC1 ZINC000159457073 545954809 /nfs/dbraw/zinc/95/48/09/545954809.db2.gz SZQMHECQJVLACN-UHFFFAOYSA-N 1 2 371.659 2.178 20 70 FEIDLO CC(C)CCOCCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159504035 545959232 /nfs/dbraw/zinc/95/92/32/545959232.db2.gz ZCTFQUVDGSEHMD-NRFANRHFSA-N 1 2 360.498 2.339 20 70 FEIDLO CC(C)CCOCCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159504035 545959238 /nfs/dbraw/zinc/95/92/38/545959238.db2.gz ZCTFQUVDGSEHMD-NRFANRHFSA-N 1 2 360.498 2.339 20 70 FEIDLO CCCOc1ncccc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159667596 545971616 /nfs/dbraw/zinc/97/16/16/545971616.db2.gz HIKKFWQIWNTGID-UHFFFAOYSA-N 1 2 369.469 2.293 20 70 FEIDLO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000159662020 545971629 /nfs/dbraw/zinc/97/16/29/545971629.db2.gz IUXBLDXORIIJFA-KZNAEPCWSA-N 1 2 355.523 2.380 20 70 FEIDLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000159685645 545973536 /nfs/dbraw/zinc/97/35/36/545973536.db2.gz SMIWKKZXUHEEFT-IBGZPJMESA-N 1 2 359.514 2.124 20 70 FEIDLO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000159685645 545973540 /nfs/dbraw/zinc/97/35/40/545973540.db2.gz SMIWKKZXUHEEFT-IBGZPJMESA-N 1 2 359.514 2.124 20 70 FEIDLO CCc1ccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)cc1 ZINC000159920942 545991701 /nfs/dbraw/zinc/99/17/01/545991701.db2.gz HBYWMXSWDJJONN-GOSISDBHSA-N 1 2 371.525 2.337 20 70 FEIDLO CC[NH+](CC)[C@@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000160109274 546007909 /nfs/dbraw/zinc/00/79/09/546007909.db2.gz XOJCFXJJMUPEBL-MRXNPFEDSA-N 1 2 352.500 2.105 20 70 FEIDLO Cc1c(CNC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)cnn1C ZINC000160162780 546013868 /nfs/dbraw/zinc/01/38/68/546013868.db2.gz CCOKIEKXFUHPTM-UHFFFAOYSA-N 1 2 356.474 2.359 20 70 FEIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cc(F)ccc3OC)CC2)n1 ZINC000160554392 546051552 /nfs/dbraw/zinc/05/15/52/546051552.db2.gz KHQQHGJRCUYGMB-UHFFFAOYSA-N 1 2 360.433 2.210 20 70 FEIDLO Cc1c([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)nnn1-c1ccc(F)cc1 ZINC000160580098 546053997 /nfs/dbraw/zinc/05/39/97/546053997.db2.gz QMJHEDQGAZMHMN-SECBINFHSA-N 1 2 359.327 2.044 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)nn2)c1 ZINC000160748063 546069035 /nfs/dbraw/zinc/06/90/35/546069035.db2.gz DQHWTXHSADPIOC-UHFFFAOYSA-N 1 2 354.439 2.272 20 70 FEIDLO Cc1cccc(-n2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)nn2)c1 ZINC000160748063 546069041 /nfs/dbraw/zinc/06/90/41/546069041.db2.gz DQHWTXHSADPIOC-UHFFFAOYSA-N 1 2 354.439 2.272 20 70 FEIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160957891 546088194 /nfs/dbraw/zinc/08/81/94/546088194.db2.gz CQLSMUAJSFTMNQ-OTWHNJEPSA-N 1 2 370.497 2.257 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000161000481 546091393 /nfs/dbraw/zinc/09/13/93/546091393.db2.gz LCMQONFIUZMJGB-KRWDZBQOSA-N 1 2 358.417 2.039 20 70 FEIDLO CC[C@@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1nccs1 ZINC000161179862 546107536 /nfs/dbraw/zinc/10/75/36/546107536.db2.gz LZPOLRAOOUTVGE-GFCCVEGCSA-N 1 2 354.439 2.279 20 70 FEIDLO C[C@@H](c1ccccc1)N(C)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161201878 546108938 /nfs/dbraw/zinc/10/89/38/546108938.db2.gz MBNCCQVNHSXFIC-SFHVURJKSA-N 1 2 352.482 2.419 20 70 FEIDLO C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161201878 546108942 /nfs/dbraw/zinc/10/89/42/546108942.db2.gz MBNCCQVNHSXFIC-SFHVURJKSA-N 1 2 352.482 2.419 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(N2CCOC2=O)c1 ZINC000161269102 546114991 /nfs/dbraw/zinc/11/49/91/546114991.db2.gz SVTLKYYGOVMGHE-HNNXBMFYSA-N 1 2 352.394 2.047 20 70 FEIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCc1cc(F)cc(F)c1 ZINC000161324259 546119751 /nfs/dbraw/zinc/11/97/51/546119751.db2.gz DKBIXNDMWZRHKI-OAHLLOKOSA-N 1 2 366.330 2.216 20 70 FEIDLO CSc1nc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c2ccccn21 ZINC000161429467 546129410 /nfs/dbraw/zinc/12/94/10/546129410.db2.gz LILFQYXHYJMDQB-ZDUSSCGKSA-N 1 2 353.451 2.460 20 70 FEIDLO COc1ccc(CN(C)C(=O)[C@@H](C)SCC[NH+]2CCOCC2)cc1F ZINC000160019417 326950652 /nfs/dbraw/zinc/95/06/52/326950652.db2.gz WVQITWIRRCFWNE-CQSZACIVSA-N 1 2 370.490 2.247 20 70 FEIDLO C[C@@H]1CN(c2ccc(CNC(=O)NC[C@]3(C)CCCS3)c[nH+]2)CCO1 ZINC000160078138 326952616 /nfs/dbraw/zinc/95/26/16/326952616.db2.gz ZNTKMJMOAWWXOX-KDOFPFPSSA-N 1 2 364.515 2.392 20 70 FEIDLO CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)c1ccsc1 ZINC000160214879 326957565 /nfs/dbraw/zinc/95/75/65/326957565.db2.gz LNEJMXSQJGZZGI-LSDHHAIUSA-N 1 2 373.544 2.007 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000160250105 326959132 /nfs/dbraw/zinc/95/91/32/326959132.db2.gz XKZHQNMLLYOWDM-QGZVFWFLSA-N 1 2 356.426 2.136 20 70 FEIDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccn(CC(F)(F)F)n1 ZINC000160505910 326967767 /nfs/dbraw/zinc/96/77/67/326967767.db2.gz AQTGOYGSLAHLFL-UHFFFAOYSA-N 1 2 352.320 2.457 20 70 FEIDLO O=C(NC[C@H]1[C@@H]2c3ccccc3C[C@H]12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160811275 326978285 /nfs/dbraw/zinc/97/82/85/326978285.db2.gz FLRSTIUXIHWCAZ-NJDAHSKKSA-N 1 2 362.477 2.495 20 70 FEIDLO CC(C)[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(-c2ccncc2)no1 ZINC000161136638 326989246 /nfs/dbraw/zinc/98/92/46/326989246.db2.gz UCUIRKDWJWTCAC-GDBMZVCRSA-N 1 2 366.425 2.404 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000161459924 327000003 /nfs/dbraw/zinc/00/00/03/327000003.db2.gz DVIKFDMNEIZOQE-NVXWUHKLSA-N 1 2 369.469 2.168 20 70 FEIDLO CC(C)CCOCCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159503870 545959724 /nfs/dbraw/zinc/95/97/24/545959724.db2.gz ZCTFQUVDGSEHMD-OAQYLSRUSA-N 1 2 360.498 2.339 20 70 FEIDLO CC(C)CCOCCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159503870 545959730 /nfs/dbraw/zinc/95/97/30/545959730.db2.gz ZCTFQUVDGSEHMD-OAQYLSRUSA-N 1 2 360.498 2.339 20 70 FEIDLO CCCOc1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000160105467 546008330 /nfs/dbraw/zinc/00/83/30/546008330.db2.gz XDTCNGYIJPLNPZ-UHFFFAOYSA-N 1 2 369.469 2.293 20 70 FEIDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C(N)=O)cs1 ZINC000160218536 546017757 /nfs/dbraw/zinc/01/77/57/546017757.db2.gz QTSRMCUQGGFOPP-UHFFFAOYSA-N 1 2 374.466 2.266 20 70 FEIDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(C(N)=O)cs1 ZINC000160218536 546017761 /nfs/dbraw/zinc/01/77/61/546017761.db2.gz QTSRMCUQGGFOPP-UHFFFAOYSA-N 1 2 374.466 2.266 20 70 FEIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000160506867 546046264 /nfs/dbraw/zinc/04/62/64/546046264.db2.gz NDXHOGPXVZCUPX-UHFFFAOYSA-N 1 2 366.425 2.035 20 70 FEIDLO CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160598794 546056241 /nfs/dbraw/zinc/05/62/41/546056241.db2.gz LPNCMYLFUZENFC-HKUYNNGSSA-N 1 2 360.502 2.360 20 70 FEIDLO CCC(=O)N[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)C1 ZINC000160756823 546069369 /nfs/dbraw/zinc/06/93/69/546069369.db2.gz CZTFMJQKRHXMJJ-AWEZNQCLSA-N 1 2 371.437 2.128 20 70 FEIDLO CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)C1 ZINC000160756823 546069373 /nfs/dbraw/zinc/06/93/73/546069373.db2.gz CZTFMJQKRHXMJJ-AWEZNQCLSA-N 1 2 371.437 2.128 20 70 FEIDLO Cc1c(NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160890878 546082713 /nfs/dbraw/zinc/08/27/13/546082713.db2.gz XVRSIEUHDXBIOV-RBUKOAKNSA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1c(NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cnn1-c1cc(C)ccc1C ZINC000160890878 546082714 /nfs/dbraw/zinc/08/27/14/546082714.db2.gz XVRSIEUHDXBIOV-RBUKOAKNSA-N 1 2 369.469 2.344 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1 ZINC000160909043 546084365 /nfs/dbraw/zinc/08/43/65/546084365.db2.gz ZQWOQQGXZHFZLE-CQSZACIVSA-N 1 2 355.442 2.299 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1 ZINC000160909043 546084369 /nfs/dbraw/zinc/08/43/69/546084369.db2.gz ZQWOQQGXZHFZLE-CQSZACIVSA-N 1 2 355.442 2.299 20 70 FEIDLO CCN(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161152944 546105234 /nfs/dbraw/zinc/10/52/34/546105234.db2.gz OCKXBVZRRQWPII-UHFFFAOYSA-N 1 2 352.482 2.248 20 70 FEIDLO CCN(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161152944 546105238 /nfs/dbraw/zinc/10/52/38/546105238.db2.gz OCKXBVZRRQWPII-UHFFFAOYSA-N 1 2 352.482 2.248 20 70 FEIDLO O=C1[C@@H]([N@@H+]2CCOC3(CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161438437 546129183 /nfs/dbraw/zinc/12/91/83/546129183.db2.gz GAGCREZZKNSOEN-INIZCTEOSA-N 1 2 368.836 2.466 20 70 FEIDLO O=C1[C@@H]([N@H+]2CCOC3(CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161438437 546129189 /nfs/dbraw/zinc/12/91/89/546129189.db2.gz GAGCREZZKNSOEN-INIZCTEOSA-N 1 2 368.836 2.466 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000161432352 546129666 /nfs/dbraw/zinc/12/96/66/546129666.db2.gz XPIUEPHADODSMN-CYBMUJFWSA-N 1 2 350.378 2.039 20 70 FEIDLO COCc1ccc(CNC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000161446016 546130700 /nfs/dbraw/zinc/13/07/00/546130700.db2.gz VGKYJTXIHOXNHN-QGZVFWFLSA-N 1 2 374.403 2.084 20 70 FEIDLO CCc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)s1 ZINC000159440932 326931758 /nfs/dbraw/zinc/93/17/58/326931758.db2.gz FRAPYHDLTVWASU-UHFFFAOYSA-N 1 2 360.545 2.289 20 70 FEIDLO CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)CC1 ZINC000160315575 326961514 /nfs/dbraw/zinc/96/15/14/326961514.db2.gz DNLNQOAVFQPJNZ-UHFFFAOYSA-N 1 2 370.478 2.335 20 70 FEIDLO CCCCn1cc[nH+]c1-c1cccc(NC(=O)NCC2(CO)COC2)c1 ZINC000160472285 326966943 /nfs/dbraw/zinc/96/69/43/326966943.db2.gz RUEJCLIFZMERLT-UHFFFAOYSA-N 1 2 358.442 2.481 20 70 FEIDLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1O ZINC000160673652 326973506 /nfs/dbraw/zinc/97/35/06/326973506.db2.gz SMQVZTDZMIKLKA-UHFFFAOYSA-N 1 2 356.422 2.367 20 70 FEIDLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000160723556 326975079 /nfs/dbraw/zinc/97/50/79/326975079.db2.gz CBZGMZHXSRKUFM-LBPRGKRZSA-N 1 2 351.813 2.254 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCCc2ccccc21 ZINC000161141795 326989385 /nfs/dbraw/zinc/98/93/85/326989385.db2.gz FNSPAGXJTOAYAY-UHFFFAOYSA-N 1 2 350.466 2.179 20 70 FEIDLO CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161385663 326997876 /nfs/dbraw/zinc/99/78/76/326997876.db2.gz PBKZFCLWAPEXEP-GFCCVEGCSA-N 1 2 364.330 2.421 20 70 FEIDLO Cc1nc(COc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)no1 ZINC000161508609 327001434 /nfs/dbraw/zinc/00/14/34/327001434.db2.gz HNJFMEPOSCWUPZ-CYBMUJFWSA-N 1 2 353.382 2.355 20 70 FEIDLO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC(C)(CO)CO ZINC000159578368 545964030 /nfs/dbraw/zinc/96/40/30/545964030.db2.gz GHKVDULPNNLPGH-UHFFFAOYSA-N 1 2 373.478 2.074 20 70 FEIDLO C[N@@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)CC(C)(CO)CO ZINC000159578368 545964034 /nfs/dbraw/zinc/96/40/34/545964034.db2.gz GHKVDULPNNLPGH-UHFFFAOYSA-N 1 2 373.478 2.074 20 70 FEIDLO C[C@@H](O)CCN(C)C(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000159921945 545991455 /nfs/dbraw/zinc/99/14/55/545991455.db2.gz VWXNTIMYMHBZBB-CQSZACIVSA-N 1 2 357.454 2.386 20 70 FEIDLO CCS(=O)(=O)c1ccc2oc(CSCC[NH+]3CCOCC3)nc2c1 ZINC000160073431 546005975 /nfs/dbraw/zinc/00/59/75/546005975.db2.gz NWFRXMOJODIHIE-UHFFFAOYSA-N 1 2 370.496 2.187 20 70 FEIDLO CC[NH+](CC)[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)c1ccsc1 ZINC000160362291 546034112 /nfs/dbraw/zinc/03/41/12/546034112.db2.gz HBPOSCMYXRCRKZ-AWEZNQCLSA-N 1 2 360.545 2.461 20 70 FEIDLO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)[N@@H+]1CCc2ccccc2C1 ZINC000160596818 546054594 /nfs/dbraw/zinc/05/45/94/546054594.db2.gz OWILUNDKHVQSMP-UXPWSPDFSA-N 1 2 370.493 2.420 20 70 FEIDLO C[C@H](C(=O)N1CCOC[C@H]1[C@@H]1CCCCC1=O)[N@H+]1CCc2ccccc2C1 ZINC000160596818 546054598 /nfs/dbraw/zinc/05/45/98/546054598.db2.gz OWILUNDKHVQSMP-UXPWSPDFSA-N 1 2 370.493 2.420 20 70 FEIDLO COc1cccc(COCCNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000160609711 546056543 /nfs/dbraw/zinc/05/65/43/546056543.db2.gz LGZCQAZLOYTMOA-UHFFFAOYSA-N 1 2 358.442 2.455 20 70 FEIDLO O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160811408 546074739 /nfs/dbraw/zinc/07/47/39/546074739.db2.gz FLRSTIUXIHWCAZ-HBMCJLEFSA-N 1 2 362.477 2.495 20 70 FEIDLO C[C@@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000160824619 546075299 /nfs/dbraw/zinc/07/52/99/546075299.db2.gz PUOHQPXZNYCTRD-YPMHNXCESA-N 1 2 370.379 2.428 20 70 FEIDLO CC[C@@H](O)CCNC(=O)C1CCN(c2ccc3cccc(O)c3[nH+]2)CC1 ZINC000160901831 546083552 /nfs/dbraw/zinc/08/35/52/546083552.db2.gz LQQJOQMHJDAMCP-MRXNPFEDSA-N 1 2 357.454 2.434 20 70 FEIDLO Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000160970903 546089126 /nfs/dbraw/zinc/08/91/26/546089126.db2.gz GIXCXWPEIKRAHW-IBGZPJMESA-N 1 2 354.454 2.004 20 70 FEIDLO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000160997204 546091558 /nfs/dbraw/zinc/09/15/58/546091558.db2.gz XMLFINPIMDLWMJ-SFHVURJKSA-N 1 2 354.454 2.208 20 70 FEIDLO CCOCCC1(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161112927 546101220 /nfs/dbraw/zinc/10/12/20/546101220.db2.gz VXBQPLRHQOSACO-IRXDYDNUSA-N 1 2 355.523 2.382 20 70 FEIDLO C[C@@H](C(=O)NCCc1cccs1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161209546 546110074 /nfs/dbraw/zinc/11/00/74/546110074.db2.gz APBLEZBUEPKQCK-INIZCTEOSA-N 1 2 358.511 2.008 20 70 FEIDLO C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161209546 546110081 /nfs/dbraw/zinc/11/00/81/546110081.db2.gz APBLEZBUEPKQCK-INIZCTEOSA-N 1 2 358.511 2.008 20 70 FEIDLO Cc1ccc(CNC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161227824 546111957 /nfs/dbraw/zinc/11/19/57/546111957.db2.gz VRSQWAUNUDEISE-SFHVURJKSA-N 1 2 352.482 2.213 20 70 FEIDLO Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161227824 546111962 /nfs/dbraw/zinc/11/19/62/546111962.db2.gz VRSQWAUNUDEISE-SFHVURJKSA-N 1 2 352.482 2.213 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000161226370 546112067 /nfs/dbraw/zinc/11/20/67/546112067.db2.gz YLQVWFPQRNKGEB-CYBMUJFWSA-N 1 2 352.369 2.071 20 70 FEIDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161276053 546115658 /nfs/dbraw/zinc/11/56/58/546115658.db2.gz KGUPNTIUUDIEBX-ABAIWWIYSA-N 1 2 362.367 2.466 20 70 FEIDLO COCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(-c3cccnc3)n1)CC2 ZINC000161344867 546121999 /nfs/dbraw/zinc/12/19/99/546121999.db2.gz JUPNNZUUWIFNBU-CQSZACIVSA-N 1 2 351.414 2.012 20 70 FEIDLO COC(=O)CSCc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161389872 546125973 /nfs/dbraw/zinc/12/59/73/546125973.db2.gz YIUATRFQXJJLPS-AWEZNQCLSA-N 1 2 359.451 2.490 20 70 FEIDLO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](c3cccc(F)c3)C2)[nH+]cn1 ZINC000217125329 548680076 /nfs/dbraw/zinc/68/00/76/548680076.db2.gz YCCIQXVZXZOUED-IAGOWNOFSA-N 1 2 358.417 2.155 20 70 FEIDLO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](c3cccc(F)c3)C2)nc[nH+]1 ZINC000217125329 548680080 /nfs/dbraw/zinc/68/00/80/548680080.db2.gz YCCIQXVZXZOUED-IAGOWNOFSA-N 1 2 358.417 2.155 20 70 FEIDLO CCOc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159484370 326933127 /nfs/dbraw/zinc/93/31/27/326933127.db2.gz DISCAUOKEYOWLH-UHFFFAOYSA-N 1 2 370.515 2.064 20 70 FEIDLO COc1ccccc1[C@H](NC(=O)N[C@@H]1CCC[C@@H]1OC)c1[nH+]ccn1C ZINC000159519216 326934222 /nfs/dbraw/zinc/93/42/22/326934222.db2.gz KRDNYLNCKVOKPA-PVAVHDDUSA-N 1 2 358.442 2.385 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H](C)CCC(C)C ZINC000159746081 326940724 /nfs/dbraw/zinc/94/07/24/326940724.db2.gz VJUFMUBLMBPIOX-AWEZNQCLSA-N 1 2 362.474 2.106 20 70 FEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000159784387 326941854 /nfs/dbraw/zinc/94/18/54/326941854.db2.gz YXINDIMTLDATDV-GOSISDBHSA-N 1 2 370.453 2.251 20 70 FEIDLO CC[NH+](CC)[C@H](C(=O)N1CCS(=O)(=O)C(C)(C)C1)c1ccccc1 ZINC000160109141 326953454 /nfs/dbraw/zinc/95/34/54/326953454.db2.gz XOJCFXJJMUPEBL-INIZCTEOSA-N 1 2 352.500 2.105 20 70 FEIDLO CC(C)Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160368497 326963001 /nfs/dbraw/zinc/96/30/01/326963001.db2.gz ZHOILHQEDCABEX-MRXNPFEDSA-N 1 2 354.516 2.132 20 70 FEIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COc2ccccc21 ZINC000160959368 326983447 /nfs/dbraw/zinc/98/34/47/326983447.db2.gz UZSJAACEFNDBSY-LPHOPBHVSA-N 1 2 366.465 2.474 20 70 FEIDLO C[C@@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000161240450 326993035 /nfs/dbraw/zinc/99/30/35/326993035.db2.gz JWJDOUYNLJMOPM-MRXNPFEDSA-N 1 2 356.445 2.216 20 70 FEIDLO O=C(CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)Nc1ccc(F)cc1 ZINC000161333514 326996147 /nfs/dbraw/zinc/99/61/47/326996147.db2.gz GNHSETYSFNBHSY-INIZCTEOSA-N 1 2 371.416 2.127 20 70 FEIDLO Cn1cnc(-c2cccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)c2)n1 ZINC000161485166 327000762 /nfs/dbraw/zinc/00/07/62/327000762.db2.gz FNJNUEJJSNLQDJ-UHFFFAOYSA-N 1 2 365.441 2.379 20 70 FEIDLO NC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000161499880 327001151 /nfs/dbraw/zinc/00/11/51/327001151.db2.gz GMWFMKIVCQKVHF-UHFFFAOYSA-N 1 2 357.841 2.397 20 70 FEIDLO COc1ccc([C@@H](NC(=O)N(C[C@@H](C)O)C(C)C)c2[nH+]ccn2C)cc1 ZINC000159532706 545961568 /nfs/dbraw/zinc/96/15/68/545961568.db2.gz QLNNUCWZYTYKKD-RHSMWYFYSA-N 1 2 360.458 2.319 20 70 FEIDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3=CCCC3)c2)CC1 ZINC000159672032 545972238 /nfs/dbraw/zinc/97/22/38/545972238.db2.gz FRFLXQHXPLLEBE-UHFFFAOYSA-N 1 2 363.483 2.062 20 70 FEIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000159691869 545973109 /nfs/dbraw/zinc/97/31/09/545973109.db2.gz PPAOLVZCLPPXHN-OAHLLOKOSA-N 1 2 350.426 2.096 20 70 FEIDLO C[C@@](O)(CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000160330684 546031016 /nfs/dbraw/zinc/03/10/16/546031016.db2.gz ZJIORVFNMXHUOA-HXUWFJFHSA-N 1 2 372.444 2.396 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[NH+]1CCOCC1 ZINC000160406009 546037767 /nfs/dbraw/zinc/03/77/67/546037767.db2.gz HJPYWDKSJKBLQM-OAHLLOKOSA-N 1 2 354.516 2.231 20 70 FEIDLO CCc1c(C(=O)NCc2ccccc2-n2cc[nH+]c2)[nH]c(C)c1C(N)=O ZINC000160418495 546038969 /nfs/dbraw/zinc/03/89/69/546038969.db2.gz KDIQKJGYERCCRW-UHFFFAOYSA-N 1 2 351.410 2.100 20 70 FEIDLO CCOc1ccc(CN2CC[NH+](CCCS(=O)(=O)C(C)C)CC2)cc1 ZINC000160606429 546056223 /nfs/dbraw/zinc/05/62/23/546056223.db2.gz OVEUGVGSQXPHFY-UHFFFAOYSA-N 1 2 368.543 2.416 20 70 FEIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705384 546065217 /nfs/dbraw/zinc/06/52/17/546065217.db2.gz BBFAWVJDYOVSST-JCURWCKSSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705384 546065221 /nfs/dbraw/zinc/06/52/21/546065221.db2.gz BBFAWVJDYOVSST-JCURWCKSSA-N 1 2 363.412 2.294 20 70 FEIDLO C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160705384 546065224 /nfs/dbraw/zinc/06/52/24/546065224.db2.gz BBFAWVJDYOVSST-JCURWCKSSA-N 1 2 363.412 2.294 20 70 FEIDLO CC(C)CSCCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160719690 546066134 /nfs/dbraw/zinc/06/61/34/546066134.db2.gz PYUBQZHOKZDRED-UHFFFAOYSA-N 1 2 350.532 2.099 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000160989836 546091836 /nfs/dbraw/zinc/09/18/36/546091836.db2.gz UPKFEIJAJALEBK-RHSMWYFYSA-N 1 2 374.485 2.202 20 70 FEIDLO O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000161140719 546103982 /nfs/dbraw/zinc/10/39/82/546103982.db2.gz QWFHSIHRGVNUFS-CZUORRHYSA-N 1 2 371.416 2.007 20 70 FEIDLO Cc1ccccc1CN(C)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161240967 546112690 /nfs/dbraw/zinc/11/26/90/546112690.db2.gz RSGUALRYKCYWQY-UHFFFAOYSA-N 1 2 352.482 2.166 20 70 FEIDLO Cc1ccccc1CN(C)C(=O)C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161240967 546112695 /nfs/dbraw/zinc/11/26/95/546112695.db2.gz RSGUALRYKCYWQY-UHFFFAOYSA-N 1 2 352.482 2.166 20 70 FEIDLO Cc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+]([C@H](C)c3ccsc3)CC1)CC2 ZINC000159626252 326937265 /nfs/dbraw/zinc/93/72/65/326937265.db2.gz WCKXJYVHCOVMLF-CZUORRHYSA-N 1 2 374.514 2.051 20 70 FEIDLO C[C@H](SCC[NH+]1CCOCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000160052142 326951726 /nfs/dbraw/zinc/95/17/26/326951726.db2.gz XZNWVOHMFSDZDC-ZDUSSCGKSA-N 1 2 360.487 2.324 20 70 FEIDLO CN(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc2c(c1)OCO2 ZINC000160311488 326961206 /nfs/dbraw/zinc/96/12/06/326961206.db2.gz GYEGJBRKXMKIFM-UHFFFAOYSA-N 1 2 356.426 2.024 20 70 FEIDLO CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160370390 326963202 /nfs/dbraw/zinc/96/32/02/326963202.db2.gz IVMOLMPLIXQSBJ-RDJZCZTQSA-N 1 2 374.485 2.250 20 70 FEIDLO O=C(COc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000160600332 326971081 /nfs/dbraw/zinc/97/10/81/326971081.db2.gz ZKLNACZAPPGKAN-UHFFFAOYSA-N 1 2 368.412 2.425 20 70 FEIDLO Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc4c(c3)C[N@H+](C)C4)[nH]c21 ZINC000159367892 545947578 /nfs/dbraw/zinc/94/75/78/545947578.db2.gz TULUCBYXYOEKQZ-UHFFFAOYSA-N 1 2 363.421 2.072 20 70 FEIDLO Cc1cccc2nc(CNC(=O)C(=O)Nc3ccc4c(c3)C[N@@H+](C)C4)[nH]c21 ZINC000159367892 545947580 /nfs/dbraw/zinc/94/75/80/545947580.db2.gz TULUCBYXYOEKQZ-UHFFFAOYSA-N 1 2 363.421 2.072 20 70 FEIDLO CN(C)C(=O)Nc1cccc(C(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000159386793 545949018 /nfs/dbraw/zinc/94/90/18/545949018.db2.gz DGSUJHDRUBKZSI-UHFFFAOYSA-N 1 2 367.453 2.133 20 70 FEIDLO Cc1ccc(C)c(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159449687 545954534 /nfs/dbraw/zinc/95/45/34/545954534.db2.gz WYIWTWWYXDRUGO-UHFFFAOYSA-N 1 2 354.516 2.282 20 70 FEIDLO CCC(=O)N1CC[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000159597494 545965444 /nfs/dbraw/zinc/96/54/44/545965444.db2.gz BPIMHPMZCXRUQE-CYBMUJFWSA-N 1 2 350.488 2.326 20 70 FEIDLO COCCOCCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159648714 545970333 /nfs/dbraw/zinc/97/03/33/545970333.db2.gz XCCUYTMWDDGTNC-HNNXBMFYSA-N 1 2 355.504 2.189 20 70 FEIDLO CC(C)c1nc(N(C)C[C@H](O)COCc2ccccc2)nc(N(C)C)[nH+]1 ZINC000159708535 545974383 /nfs/dbraw/zinc/97/43/83/545974383.db2.gz HUZJADTZSPUNMA-INIZCTEOSA-N 1 2 359.474 2.075 20 70 FEIDLO CC(C)c1nc(N(C)C)nc(N(C)C[C@H](O)COCc2ccccc2)[nH+]1 ZINC000159708535 545974386 /nfs/dbraw/zinc/97/43/86/545974386.db2.gz HUZJADTZSPUNMA-INIZCTEOSA-N 1 2 359.474 2.075 20 70 FEIDLO Cc1ccsc1CCCC(=O)N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000159740710 545976741 /nfs/dbraw/zinc/97/67/41/545976741.db2.gz LFQYBKDIFOWPBY-UHFFFAOYSA-N 1 2 363.527 2.146 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000159787271 545980275 /nfs/dbraw/zinc/98/02/75/545980275.db2.gz CNNMFUGDTZDYHO-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000159787271 545980279 /nfs/dbraw/zinc/98/02/79/545980279.db2.gz CNNMFUGDTZDYHO-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO COc1ccc([C@H](NC(=O)CSCC[NH+]2CCOCC2)C2CC2)cc1 ZINC000159917979 545991883 /nfs/dbraw/zinc/99/18/83/545991883.db2.gz MREUFOLTJFNXTM-LJQANCHMSA-N 1 2 364.511 2.328 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)C[NH+]1CCOCC1 ZINC000160385358 546036462 /nfs/dbraw/zinc/03/64/62/546036462.db2.gz BLLVMPWOZUHLJE-NSHDSACASA-N 1 2 367.298 2.240 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C1CCC(C)CC1 ZINC000160421011 546039865 /nfs/dbraw/zinc/03/98/65/546039865.db2.gz NHODTVGAYRSRKQ-UHFFFAOYSA-N 1 2 374.485 2.202 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000160481837 546045691 /nfs/dbraw/zinc/04/56/91/546045691.db2.gz WYPTUJUSJASBHU-UHFFFAOYSA-N 1 2 356.401 2.344 20 70 FEIDLO CC(C)(CNC(=O)N1CCC[C@H](Nc2ccccc2)C1)[NH+]1CCOCC1 ZINC000160709633 546064660 /nfs/dbraw/zinc/06/46/60/546064660.db2.gz UOTOJTXCLMTOSA-SFHVURJKSA-N 1 2 360.502 2.383 20 70 FEIDLO O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160873571 546079901 /nfs/dbraw/zinc/07/99/01/546079901.db2.gz WGJOBUCSPTXPMX-VAMGGRTRSA-N 1 2 373.497 2.413 20 70 FEIDLO CCCOc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC ZINC000161017778 546092347 /nfs/dbraw/zinc/09/23/47/546092347.db2.gz FYLNDNQHVRAFPO-GOSISDBHSA-N 1 2 362.470 2.307 20 70 FEIDLO COc1cccc(NC(=O)[C@H]([NH2+][C@@H]2CCN(C)C2=O)c2ccccc2)c1 ZINC000161273777 546116189 /nfs/dbraw/zinc/11/61/89/546116189.db2.gz VBXIKIVXBQKVEY-QZTJIDSGSA-N 1 2 353.422 2.195 20 70 FEIDLO O=C1[C@H]([N@@H+]2CCOC3(CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161438544 546129742 /nfs/dbraw/zinc/12/97/42/546129742.db2.gz GAGCREZZKNSOEN-MRXNPFEDSA-N 1 2 368.836 2.466 20 70 FEIDLO O=C1[C@H]([N@H+]2CCOC3(CCOCC3)C2)CCN1c1ccc(Cl)c(F)c1 ZINC000161438544 546129744 /nfs/dbraw/zinc/12/97/44/546129744.db2.gz GAGCREZZKNSOEN-MRXNPFEDSA-N 1 2 368.836 2.466 20 70 FEIDLO Cc1cc(F)ccc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159459619 326932480 /nfs/dbraw/zinc/93/24/80/326932480.db2.gz AYMWQOMGCHZBAI-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO Cc1cc(NC(=O)CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)n(C)n1 ZINC000159478763 326932769 /nfs/dbraw/zinc/93/27/69/326932769.db2.gz LBNTZYQDGODVIQ-HNNXBMFYSA-N 1 2 359.449 2.185 20 70 FEIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cccc(-n3ccnn3)c2)C1 ZINC000159691729 326939109 /nfs/dbraw/zinc/93/91/09/326939109.db2.gz PPAOLVZCLPPXHN-HNNXBMFYSA-N 1 2 350.426 2.096 20 70 FEIDLO CCCCC[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159743019 326940778 /nfs/dbraw/zinc/94/07/78/326940778.db2.gz KCUXSXINGPRAOV-AWEZNQCLSA-N 1 2 362.474 2.250 20 70 FEIDLO CC(C)OCc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159949384 326948016 /nfs/dbraw/zinc/94/80/16/326948016.db2.gz CDXZZZOMZOLGHL-UHFFFAOYSA-N 1 2 366.527 2.293 20 70 FEIDLO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCCN(CC(F)(F)F)C1=O)C2 ZINC000160036420 326951136 /nfs/dbraw/zinc/95/11/36/326951136.db2.gz YNXUAZWORUUXKP-AWEZNQCLSA-N 1 2 358.408 2.455 20 70 FEIDLO O=C(N[C@H]1CCc2c1cccc2O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160400002 326964329 /nfs/dbraw/zinc/96/43/29/326964329.db2.gz QRVKVQMLWXAQTG-SFHVURJKSA-N 1 2 352.438 2.302 20 70 FEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000160977638 326983940 /nfs/dbraw/zinc/98/39/40/326983940.db2.gz MHYHCVGQNUFILG-MRXNPFEDSA-N 1 2 354.397 2.154 20 70 FEIDLO C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161185742 326991085 /nfs/dbraw/zinc/99/10/85/326991085.db2.gz ZGIKUMSLGTXJTF-AWEZNQCLSA-N 1 2 359.861 2.275 20 70 FEIDLO CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161309972 326995343 /nfs/dbraw/zinc/99/53/43/326995343.db2.gz SYDLAJFAIVINTF-MRXNPFEDSA-N 1 2 373.375 2.219 20 70 FEIDLO COc1ccc([C@@H](NC(=O)C(F)(F)C2(O)CCC2)c2[nH+]ccn2C)cc1 ZINC000161378965 326997605 /nfs/dbraw/zinc/99/76/05/326997605.db2.gz LCVOJDIRTMEZCP-CQSZACIVSA-N 1 2 365.380 2.185 20 70 FEIDLO Cc1nc(COc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)no1 ZINC000161508723 327001414 /nfs/dbraw/zinc/00/14/14/327001414.db2.gz HNJFMEPOSCWUPZ-ZDUSSCGKSA-N 1 2 353.382 2.355 20 70 FEIDLO Cc1nn(C)c(C)c1NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159472240 545956253 /nfs/dbraw/zinc/95/62/53/545956253.db2.gz WPXPOLFUTUBGIJ-OAHLLOKOSA-N 1 2 373.476 2.493 20 70 FEIDLO CCN(CC)c1ccc(CNC(=O)c2cccc3c2oc(=O)n3C)c[nH+]1 ZINC000159775537 545979245 /nfs/dbraw/zinc/97/92/45/545979245.db2.gz INJMIKGPKNPBOA-UHFFFAOYSA-N 1 2 354.410 2.303 20 70 FEIDLO COCc1nc(C)c(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160004124 545999693 /nfs/dbraw/zinc/99/96/93/545999693.db2.gz YKVOMIDSQWAUIJ-VNHYZAJKSA-N 1 2 367.515 2.312 20 70 FEIDLO COCc1nc(C)c(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160004124 545999697 /nfs/dbraw/zinc/99/96/97/545999697.db2.gz YKVOMIDSQWAUIJ-VNHYZAJKSA-N 1 2 367.515 2.312 20 70 FEIDLO CC(C)c1ccc(S(=O)(=O)N2CC[NH+](CC3=CCCOC3)CC2)cc1 ZINC000160303922 546028377 /nfs/dbraw/zinc/02/83/77/546028377.db2.gz OQOSQHLLMZNMEY-UHFFFAOYSA-N 1 2 364.511 2.463 20 70 FEIDLO COc1cc(OC)cc([C@@H](NC(=O)[C@H]2CCCCO2)c2[nH+]ccn2C)c1 ZINC000160335053 546031501 /nfs/dbraw/zinc/03/15/01/546031501.db2.gz NHKIGVKYLLOLSO-IAGOWNOFSA-N 1 2 359.426 2.212 20 70 FEIDLO CN(CCC(=O)OC(C)(C)C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000160733629 546066744 /nfs/dbraw/zinc/06/67/44/546066744.db2.gz CHWHAVIAPJGZCJ-UHFFFAOYSA-N 1 2 350.463 2.135 20 70 FEIDLO O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160873699 546079695 /nfs/dbraw/zinc/07/96/95/546079695.db2.gz WGJOBUCSPTXPMX-ZCNNSNEGSA-N 1 2 373.497 2.413 20 70 FEIDLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160915585 546084603 /nfs/dbraw/zinc/08/46/03/546084603.db2.gz IIRYKDCCOLUYSW-ZDUSSCGKSA-N 1 2 373.844 2.495 20 70 FEIDLO CC(C)C[C@@H](CO)NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000160994814 546091195 /nfs/dbraw/zinc/09/11/95/546091195.db2.gz WQRVQJVHDNBTPV-KRWDZBQOSA-N 1 2 358.442 2.049 20 70 FEIDLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000161052246 546096066 /nfs/dbraw/zinc/09/60/66/546096066.db2.gz XEHZCCIDOUQDHX-INIZCTEOSA-N 1 2 354.458 2.152 20 70 FEIDLO CCOc1ccc(C[NH+]2CCN(CC(=O)NC(C)C)CC2)cc1OCC ZINC000161138017 546103998 /nfs/dbraw/zinc/10/39/98/546103998.db2.gz MDZYBYBEVRSLBB-UHFFFAOYSA-N 1 2 363.502 2.126 20 70 FEIDLO CCOc1ccc(CN2CC[NH+](CC(=O)NC(C)C)CC2)cc1OCC ZINC000161138017 546104002 /nfs/dbraw/zinc/10/40/02/546104002.db2.gz MDZYBYBEVRSLBB-UHFFFAOYSA-N 1 2 363.502 2.126 20 70 FEIDLO COc1ccc(C[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000161440425 546129146 /nfs/dbraw/zinc/12/91/46/546129146.db2.gz JPMHHRKATZLUGP-AWEZNQCLSA-N 1 2 358.891 2.349 20 70 FEIDLO COc1ccc(C[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)cc1Cl ZINC000161440425 546129152 /nfs/dbraw/zinc/12/91/52/546129152.db2.gz JPMHHRKATZLUGP-AWEZNQCLSA-N 1 2 358.891 2.349 20 70 FEIDLO CC1(C)C[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CCO1 ZINC000161435676 546129552 /nfs/dbraw/zinc/12/95/52/546129552.db2.gz AANNAIBYLUPRSH-MSOLQXFVSA-N 1 2 361.486 2.317 20 70 FEIDLO Cc1noc(Cl)c1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000159596642 326936275 /nfs/dbraw/zinc/93/62/75/326936275.db2.gz KUTHXZIRDMSOBO-INIZCTEOSA-N 1 2 363.845 2.369 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC1CCCCCC1 ZINC000159744266 326940687 /nfs/dbraw/zinc/94/06/87/326940687.db2.gz ZCCQBUQXRGCEKI-UHFFFAOYSA-N 1 2 360.458 2.004 20 70 FEIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2sccc2C)CC1 ZINC000160132045 326954268 /nfs/dbraw/zinc/95/42/68/326954268.db2.gz UXXNREKKJIGWQY-HZPDHXFCSA-N 1 2 363.527 2.173 20 70 FEIDLO O=C(NCc1cn2cc(Br)ccc2n1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160273161 326959890 /nfs/dbraw/zinc/95/98/90/326959890.db2.gz NHRIMGZRBLFMTF-NSHDSACASA-N 1 2 374.242 2.172 20 70 FEIDLO CNC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160915478 326981867 /nfs/dbraw/zinc/98/18/67/326981867.db2.gz IIRYKDCCOLUYSW-CYBMUJFWSA-N 1 2 373.844 2.495 20 70 FEIDLO O=C(Nc1ccc(F)cc1)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161139330 326989510 /nfs/dbraw/zinc/98/95/10/326989510.db2.gz HHAJQRJWGJBUOM-HNNXBMFYSA-N 1 2 370.428 2.462 20 70 FEIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159371291 545948023 /nfs/dbraw/zinc/94/80/23/545948023.db2.gz ORNOESXUAXEYMA-INIZCTEOSA-N 1 2 370.457 2.237 20 70 FEIDLO Cc1occc1C(=O)NCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159416830 545952312 /nfs/dbraw/zinc/95/23/12/545952312.db2.gz IRJGJAZZJHYHIL-CYBMUJFWSA-N 1 2 361.467 2.285 20 70 FEIDLO CCC[C@@](C)(O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000159496885 545958690 /nfs/dbraw/zinc/95/86/90/545958690.db2.gz ZACXVBCSKSPGEK-GOSISDBHSA-N 1 2 353.894 2.129 20 70 FEIDLO O=C(CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1)NC1CCCC1 ZINC000159506191 545959534 /nfs/dbraw/zinc/95/95/34/545959534.db2.gz DRLNWBLOKNPAAC-UHFFFAOYSA-N 1 2 373.497 2.049 20 70 FEIDLO C[N@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)CC(C)(CO)CO ZINC000159539017 545961215 /nfs/dbraw/zinc/96/12/15/545961215.db2.gz BUDZABBOMSIMAK-UHFFFAOYSA-N 1 2 373.478 2.074 20 70 FEIDLO C[N@@H+](Cc1nc(=O)c2cc(-c3ccccc3)sc2[nH]1)CC(C)(CO)CO ZINC000159539017 545961217 /nfs/dbraw/zinc/96/12/17/545961217.db2.gz BUDZABBOMSIMAK-UHFFFAOYSA-N 1 2 373.478 2.074 20 70 FEIDLO C[C@@](O)(CNC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000159554315 545962244 /nfs/dbraw/zinc/96/22/44/545962244.db2.gz JTQRSWGZZYKUOC-LJQANCHMSA-N 1 2 369.400 2.113 20 70 FEIDLO CCc1c(C(=O)N2CC[NH+](Cc3cccs3)CC2)[nH]c(C)c1C(N)=O ZINC000159743241 545976581 /nfs/dbraw/zinc/97/65/81/545976581.db2.gz JMUVSFHYEUWRPB-UHFFFAOYSA-N 1 2 360.483 2.004 20 70 FEIDLO NC(=O)c1ccc(-c2nc(CSCC[NH+]3CCOCC3)cs2)cc1 ZINC000159855588 545986112 /nfs/dbraw/zinc/98/61/12/545986112.db2.gz HJKVKXNHXYHGOY-UHFFFAOYSA-N 1 2 363.508 2.474 20 70 FEIDLO O=S(=O)(c1cccnc1)N1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000159913543 545991415 /nfs/dbraw/zinc/99/14/15/545991415.db2.gz ICAAYQUDAYNTIY-UHFFFAOYSA-N 1 2 356.451 2.069 20 70 FEIDLO COc1cc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1OC ZINC000160005851 545999369 /nfs/dbraw/zinc/99/93/69/545999369.db2.gz XMWQIHGFDKUQFJ-OLZOCXBDSA-N 1 2 359.426 2.349 20 70 FEIDLO O=C(CNC(=O)CC1CCCC1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160514070 546048037 /nfs/dbraw/zinc/04/80/37/546048037.db2.gz HAPJDKALBAESGN-UHFFFAOYSA-N 1 2 358.486 2.385 20 70 FEIDLO COc1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)ccc1OC(C)C ZINC000160971163 546089058 /nfs/dbraw/zinc/08/90/58/546089058.db2.gz ANWRPAHQPTYAAU-SFHVURJKSA-N 1 2 362.470 2.306 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000161016064 546092933 /nfs/dbraw/zinc/09/29/33/546092933.db2.gz POJRFNPQGFYZDM-ZBFHGGJFSA-N 1 2 374.485 2.202 20 70 FEIDLO O=C(NC[C@@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161142510 546103701 /nfs/dbraw/zinc/10/37/01/546103701.db2.gz BYHCRCREMOEOKR-MLGOLLRUSA-N 1 2 353.344 2.012 20 70 FEIDLO CCc1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cn1 ZINC000161138329 546103957 /nfs/dbraw/zinc/10/39/57/546103957.db2.gz WCIULJGGQXLBKR-MSOLQXFVSA-N 1 2 367.453 2.156 20 70 FEIDLO CCc1ncc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cn1 ZINC000161138329 546103961 /nfs/dbraw/zinc/10/39/61/546103961.db2.gz WCIULJGGQXLBKR-MSOLQXFVSA-N 1 2 367.453 2.156 20 70 FEIDLO O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000161142634 546104132 /nfs/dbraw/zinc/10/41/32/546104132.db2.gz BYHCRCREMOEOKR-LRDDRELGSA-N 1 2 353.344 2.012 20 70 FEIDLO COc1ccccc1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161187867 546108588 /nfs/dbraw/zinc/10/85/88/546108588.db2.gz XIVBWRXPAGLQHR-INIZCTEOSA-N 1 2 354.454 2.235 20 70 FEIDLO CSc1cc(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)ccc1F ZINC000161212711 546110379 /nfs/dbraw/zinc/11/03/79/546110379.db2.gz IAGDJAYYICMHMK-UHFFFAOYSA-N 1 2 364.446 2.329 20 70 FEIDLO CC(C)(C)c1cc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)on1 ZINC000161212590 546110705 /nfs/dbraw/zinc/11/07/05/546110705.db2.gz XCKBWPACWFFETI-UHFFFAOYSA-N 1 2 357.458 2.123 20 70 FEIDLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161212570 546110983 /nfs/dbraw/zinc/11/09/83/546110983.db2.gz KWROQKSDTQFUNX-NHYWBVRUSA-N 1 2 362.367 2.466 20 70 FEIDLO COCc1cccc(CNC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161254414 546114125 /nfs/dbraw/zinc/11/41/25/546114125.db2.gz HUCLRAKRQAMYOH-QGZVFWFLSA-N 1 2 374.403 2.084 20 70 FEIDLO CCn1cnnc1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000218224496 548685984 /nfs/dbraw/zinc/68/59/84/548685984.db2.gz QOOYWRHPKBJELW-UHFFFAOYSA-N 1 2 355.236 2.368 20 70 FEIDLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-n2ccnn2)c1 ZINC000159669105 326938683 /nfs/dbraw/zinc/93/86/83/326938683.db2.gz XYKCOJNUAHCUTJ-UHFFFAOYSA-N 1 2 363.421 2.352 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[NH+]1CCOCC1 ZINC000160405867 326964653 /nfs/dbraw/zinc/96/46/53/326964653.db2.gz HJPYWDKSJKBLQM-HNNXBMFYSA-N 1 2 354.516 2.231 20 70 FEIDLO CNS(=O)(=O)c1ccc2c(c1)N(Cc1c(C)[nH+]c3ccccn31)CC2 ZINC000160613117 326971518 /nfs/dbraw/zinc/97/15/18/326971518.db2.gz OMNBBPPYOXNTNM-UHFFFAOYSA-N 1 2 356.451 2.114 20 70 FEIDLO C[C@H](CC(=O)NCC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160747887 326975678 /nfs/dbraw/zinc/97/56/78/326975678.db2.gz JFYHKEJWSMSKCD-CYBMUJFWSA-N 1 2 355.276 2.391 20 70 FEIDLO Cn1c(=O)[nH]c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)cc21 ZINC000161154609 326990001 /nfs/dbraw/zinc/99/00/01/326990001.db2.gz FBZLTUOPDUMYKI-UHFFFAOYSA-N 1 2 365.368 2.121 20 70 FEIDLO Cc1[nH+]c2ccccc2n1CCNC(=O)CCCNC(=O)c1cccnc1 ZINC000161167787 326990380 /nfs/dbraw/zinc/99/03/80/326990380.db2.gz GKSQTWWEBHQMJB-UHFFFAOYSA-N 1 2 365.437 2.066 20 70 FEIDLO O=C(CCNC(=O)C1CCCCC1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159651141 545970340 /nfs/dbraw/zinc/97/03/40/545970340.db2.gz QUNYWOLSNZFKSM-UHFFFAOYSA-N 1 2 358.486 2.385 20 70 FEIDLO O=C(NCCc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000160013064 545999768 /nfs/dbraw/zinc/99/97/68/545999768.db2.gz SMEKNMASHYGIGJ-MRXNPFEDSA-N 1 2 366.425 2.350 20 70 FEIDLO CC[N@H+](Cc1ccn(C)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160227121 546019196 /nfs/dbraw/zinc/01/91/96/546019196.db2.gz CDSYYLCCAROQPJ-UHFFFAOYSA-N 1 2 356.426 2.301 20 70 FEIDLO CC[N@@H+](Cc1ccn(C)c1)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000160227121 546019200 /nfs/dbraw/zinc/01/92/00/546019200.db2.gz CDSYYLCCAROQPJ-UHFFFAOYSA-N 1 2 356.426 2.301 20 70 FEIDLO COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395852 546036250 /nfs/dbraw/zinc/03/62/50/546036250.db2.gz QGAUVLMVIYJLNT-WBVHZDCISA-N 1 2 373.840 2.270 20 70 FEIDLO COCCOc1cccc(CC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000160687739 546063145 /nfs/dbraw/zinc/06/31/45/546063145.db2.gz LTTDOZNBYDHEEK-UHFFFAOYSA-N 1 2 353.422 2.261 20 70 FEIDLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160821749 546075704 /nfs/dbraw/zinc/07/57/04/546075704.db2.gz ZVWKCCRDPRUTEO-INIZCTEOSA-N 1 2 367.453 2.492 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1 ZINC000160908907 546083672 /nfs/dbraw/zinc/08/36/72/546083672.db2.gz ZQWOQQGXZHFZLE-AWEZNQCLSA-N 1 2 355.442 2.299 20 70 FEIDLO CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1 ZINC000160908907 546083678 /nfs/dbraw/zinc/08/36/78/546083678.db2.gz ZQWOQQGXZHFZLE-AWEZNQCLSA-N 1 2 355.442 2.299 20 70 FEIDLO C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161175362 546106811 /nfs/dbraw/zinc/10/68/11/546106811.db2.gz FNAXRIDJKSYHGV-GOSISDBHSA-N 1 2 364.493 2.173 20 70 FEIDLO C[C@H](C(=O)N1CCc2ccccc2C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161175362 546106814 /nfs/dbraw/zinc/10/68/14/546106814.db2.gz FNAXRIDJKSYHGV-GOSISDBHSA-N 1 2 364.493 2.173 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCCc1ccc(Cl)cc1 ZINC000161207250 546109151 /nfs/dbraw/zinc/10/91/51/546109151.db2.gz GFZXPRNKLWOSDE-UHFFFAOYSA-N 1 2 372.900 2.212 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000161226239 546111817 /nfs/dbraw/zinc/11/18/17/546111817.db2.gz YLQVWFPQRNKGEB-ZDUSSCGKSA-N 1 2 352.369 2.071 20 70 FEIDLO CC(C)COC[C@@H](O)C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161432129 546129484 /nfs/dbraw/zinc/12/94/84/546129484.db2.gz JHVJURPVOCPERC-KRWDZBQOSA-N 1 2 354.878 2.018 20 70 FEIDLO CC(C)COC[C@@H](O)C[N@H+]1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000161432129 546129487 /nfs/dbraw/zinc/12/94/87/546129487.db2.gz JHVJURPVOCPERC-KRWDZBQOSA-N 1 2 354.878 2.018 20 70 FEIDLO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3cccc(F)c3)C2)[nH+]cn1 ZINC000217125320 548679889 /nfs/dbraw/zinc/67/98/89/548679889.db2.gz YCCIQXVZXZOUED-DLBZAZTESA-N 1 2 358.417 2.155 20 70 FEIDLO OC[C@@H]1CCCN1c1cc(N2CCO[C@@H](c3cccc(F)c3)C2)nc[nH+]1 ZINC000217125320 548679893 /nfs/dbraw/zinc/67/98/93/548679893.db2.gz YCCIQXVZXZOUED-DLBZAZTESA-N 1 2 358.417 2.155 20 70 FEIDLO C[C@H]1CN(c2ccnc(C(=O)NCc3cn4ccccc4[nH+]3)c2)C[C@H](C)O1 ZINC000216975713 548680590 /nfs/dbraw/zinc/68/05/90/548680590.db2.gz XKQNZXWEQSSMGO-GJZGRUSLSA-N 1 2 365.437 2.273 20 70 FEIDLO CCOc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000218103231 548684822 /nfs/dbraw/zinc/68/48/22/548684822.db2.gz WCWOOCAQTNAJQJ-HNNXBMFYSA-N 1 2 361.467 2.346 20 70 FEIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNC(=O)c2ccsc2)CC1 ZINC000159418959 326931079 /nfs/dbraw/zinc/93/10/79/326931079.db2.gz HANCISWXTSZREX-ZDUSSCGKSA-N 1 2 363.508 2.445 20 70 FEIDLO COc1ccc([C@H](NC(=O)N(C[C@H](C)O)C(C)C)c2[nH+]ccn2C)cc1 ZINC000159532563 326934411 /nfs/dbraw/zinc/93/44/11/326934411.db2.gz QLNNUCWZYTYKKD-YOEHRIQHSA-N 1 2 360.458 2.319 20 70 FEIDLO C[NH+](C)[C@@H](CNC(=O)c1csc(S(C)(=O)=O)c1)c1ccc(F)cc1 ZINC000159537279 326934556 /nfs/dbraw/zinc/93/45/56/326934556.db2.gz ZHTCOKVGVBAVAT-AWEZNQCLSA-N 1 2 370.471 2.323 20 70 FEIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccnn2C[C@H]2CCOC2)C1 ZINC000159693185 326939456 /nfs/dbraw/zinc/93/94/56/326939456.db2.gz SQUJPDOZEXVGIN-JKSUJKDBSA-N 1 2 372.473 2.140 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)cn1 ZINC000159889824 326945978 /nfs/dbraw/zinc/94/59/78/326945978.db2.gz NLTJUMQECQTVDM-INIZCTEOSA-N 1 2 367.384 2.107 20 70 FEIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159982866 326949504 /nfs/dbraw/zinc/94/95/04/326949504.db2.gz RAOALDHSNQLUFE-KXBFYZLASA-N 1 2 361.461 2.069 20 70 FEIDLO O=C(N[C@H]1CCCC[C@H]1n1cccn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160533730 326968790 /nfs/dbraw/zinc/96/87/90/326968790.db2.gz NANVZGCTLNTEBN-RBUKOAKNSA-N 1 2 368.485 2.289 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1 ZINC000160973435 326983748 /nfs/dbraw/zinc/98/37/48/326983748.db2.gz BWHMEAKOXYMBEW-UHFFFAOYSA-N 1 2 355.442 2.299 20 70 FEIDLO CC(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161224994 326992233 /nfs/dbraw/zinc/99/22/33/326992233.db2.gz NUXBOSCBQJOTMN-MRXNPFEDSA-N 1 2 373.478 2.272 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCC1CCC(C)CC1 ZINC000161298458 326995063 /nfs/dbraw/zinc/99/50/63/326995063.db2.gz WVZSZIFVMIBWIH-UHFFFAOYSA-N 1 2 374.485 2.108 20 70 FEIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)N1CCC(c2ccccc2)=N1 ZINC000161468178 327000274 /nfs/dbraw/zinc/00/02/74/327000274.db2.gz CNAMDHWYWAJGMC-QGZVFWFLSA-N 1 2 369.387 2.258 20 70 FEIDLO O=C(CCc1nc(-c2ccoc2)no1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159384551 545949266 /nfs/dbraw/zinc/94/92/66/545949266.db2.gz KTYCCILEAUSXRL-UHFFFAOYSA-N 1 2 367.409 2.002 20 70 FEIDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000159407730 545951246 /nfs/dbraw/zinc/95/12/46/545951246.db2.gz KRRDSBWNHAQYMG-UHFFFAOYSA-N 1 2 362.455 2.142 20 70 FEIDLO C[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159642213 545969523 /nfs/dbraw/zinc/96/95/23/545969523.db2.gz BGRWGXGTSFVJFT-FZMZJTMJSA-N 1 2 355.364 2.274 20 70 FEIDLO C[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159642213 545969526 /nfs/dbraw/zinc/96/95/26/545969526.db2.gz BGRWGXGTSFVJFT-FZMZJTMJSA-N 1 2 355.364 2.274 20 70 FEIDLO Cc1cc(C)n(CCCNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000159753078 545977522 /nfs/dbraw/zinc/97/75/22/545977522.db2.gz WMEBPEQTCIWPKI-QGZVFWFLSA-N 1 2 356.474 2.253 20 70 FEIDLO CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1)c1ccccc1 ZINC000159774370 545979577 /nfs/dbraw/zinc/97/95/77/545979577.db2.gz KMUGKWGNYIAJMT-QUCCMNQESA-N 1 2 366.465 2.130 20 70 FEIDLO CNC(=O)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)n1)c1ccccc1 ZINC000159774370 545979580 /nfs/dbraw/zinc/97/95/80/545979580.db2.gz KMUGKWGNYIAJMT-QUCCMNQESA-N 1 2 366.465 2.130 20 70 FEIDLO CCN(CC)C(=O)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159800859 545981563 /nfs/dbraw/zinc/98/15/63/545981563.db2.gz IUXXWXGUISQZQA-KRWDZBQOSA-N 1 2 354.454 2.244 20 70 FEIDLO Cc1cncc(/C=C/C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000159894467 545989007 /nfs/dbraw/zinc/98/90/07/545989007.db2.gz HRHRNXRUAKDBAZ-AQKVLALTSA-N 1 2 351.450 2.420 20 70 FEIDLO Cc1cncc(/C=C/C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000159894467 545989012 /nfs/dbraw/zinc/98/90/12/545989012.db2.gz HRHRNXRUAKDBAZ-AQKVLALTSA-N 1 2 351.450 2.420 20 70 FEIDLO CC[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159947320 545994160 /nfs/dbraw/zinc/99/41/60/545994160.db2.gz NFFGEVSKJFFXCA-KRWDZBQOSA-N 1 2 366.527 2.153 20 70 FEIDLO CC[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159947320 545994162 /nfs/dbraw/zinc/99/41/62/545994162.db2.gz NFFGEVSKJFFXCA-KRWDZBQOSA-N 1 2 366.527 2.153 20 70 FEIDLO CCc1nc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)sc1C ZINC000159950990 545994847 /nfs/dbraw/zinc/99/48/47/545994847.db2.gz QMLNLXLNLPWHTQ-UHFFFAOYSA-N 1 2 373.526 2.479 20 70 FEIDLO COc1cccc([C@H]2CN(C(=O)NCc3ccc[nH+]c3N(C)C)CCO2)c1 ZINC000160244482 546021703 /nfs/dbraw/zinc/02/17/03/546021703.db2.gz YWWWRCUBPRHMOX-GOSISDBHSA-N 1 2 370.453 2.439 20 70 FEIDLO O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160446508 546042254 /nfs/dbraw/zinc/04/22/54/546042254.db2.gz NOZMFAUGXBPSGC-QGZVFWFLSA-N 1 2 365.437 2.374 20 70 FEIDLO Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)n1 ZINC000160753366 546069402 /nfs/dbraw/zinc/06/94/02/546069402.db2.gz DEEXXISXTAAJEO-ZBFHGGJFSA-N 1 2 363.849 2.267 20 70 FEIDLO Cn1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)n1 ZINC000160753366 546069405 /nfs/dbraw/zinc/06/94/05/546069405.db2.gz DEEXXISXTAAJEO-ZBFHGGJFSA-N 1 2 363.849 2.267 20 70 FEIDLO CC(C)C(=O)NCCN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000160881047 546081068 /nfs/dbraw/zinc/08/10/68/546081068.db2.gz QUFRJBXKDQRATG-UHFFFAOYSA-N 1 2 373.457 2.198 20 70 FEIDLO COc1ccc(CCNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(Cl)c1 ZINC000161117455 546101519 /nfs/dbraw/zinc/10/15/19/546101519.db2.gz CAIIKVISBTWAEO-KBPBESRZSA-N 1 2 369.893 2.300 20 70 FEIDLO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000161136592 546103005 /nfs/dbraw/zinc/10/30/05/546103005.db2.gz ZELFBQHCVZNLOQ-QUCCMNQESA-N 1 2 369.465 2.465 20 70 FEIDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 ZINC000161159792 546106173 /nfs/dbraw/zinc/10/61/73/546106173.db2.gz TVEZVXJNVRLUCO-OWCLPIDISA-N 1 2 372.387 2.108 20 70 FEIDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 ZINC000161159792 546106175 /nfs/dbraw/zinc/10/61/75/546106175.db2.gz TVEZVXJNVRLUCO-OWCLPIDISA-N 1 2 372.387 2.108 20 70 FEIDLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161212681 546110262 /nfs/dbraw/zinc/11/02/62/546110262.db2.gz KWROQKSDTQFUNX-ABAIWWIYSA-N 1 2 362.367 2.466 20 70 FEIDLO COC(=O)c1cccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1 ZINC000161223339 546111722 /nfs/dbraw/zinc/11/17/22/546111722.db2.gz WFQVRCRJHQOZQK-OAHLLOKOSA-N 1 2 356.426 2.084 20 70 FEIDLO COC(=O)c1cccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1 ZINC000161223339 546111724 /nfs/dbraw/zinc/11/17/24/546111724.db2.gz WFQVRCRJHQOZQK-OAHLLOKOSA-N 1 2 356.426 2.084 20 70 FEIDLO Cc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161227723 546112029 /nfs/dbraw/zinc/11/20/29/546112029.db2.gz VRSQWAUNUDEISE-GOSISDBHSA-N 1 2 352.482 2.213 20 70 FEIDLO Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161227723 546112036 /nfs/dbraw/zinc/11/20/36/546112036.db2.gz VRSQWAUNUDEISE-GOSISDBHSA-N 1 2 352.482 2.213 20 70 FEIDLO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161238861 546112673 /nfs/dbraw/zinc/11/26/73/546112673.db2.gz TWTYYGPUUKHADK-LLVKDONJSA-N 1 2 367.331 2.189 20 70 FEIDLO CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161361980 546123794 /nfs/dbraw/zinc/12/37/94/546123794.db2.gz ADAAOXGIKTXZGB-INIZCTEOSA-N 1 2 362.367 2.419 20 70 FEIDLO COC(=O)[C@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000160116663 326953678 /nfs/dbraw/zinc/95/36/78/326953678.db2.gz DKULDYUGROCJJI-WFASDCNBSA-N 1 2 369.412 2.162 20 70 FEIDLO C[C@H](O)C1CCN(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC1 ZINC000160117440 326953719 /nfs/dbraw/zinc/95/37/19/326953719.db2.gz ZHRYUFOMIKQHGQ-BLLLJJGKSA-N 1 2 355.429 2.370 20 70 FEIDLO CCc1ccc([C@@H](CO)NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160270398 326959915 /nfs/dbraw/zinc/95/99/15/326959915.db2.gz NXYFBWBHRUPFMQ-QZTJIDSGSA-N 1 2 354.454 2.256 20 70 FEIDLO CC(C)[C@H]1OCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160598670 326970942 /nfs/dbraw/zinc/97/09/42/326970942.db2.gz LPNCMYLFUZENFC-PKOBYXMFSA-N 1 2 360.502 2.360 20 70 FEIDLO CC(C)S(=O)(=O)Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161056917 326986468 /nfs/dbraw/zinc/98/64/68/326986468.db2.gz RBOPFENJWLUXNL-HNNXBMFYSA-N 1 2 361.467 2.407 20 70 FEIDLO COc1cc(F)cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000161082806 326987560 /nfs/dbraw/zinc/98/75/60/326987560.db2.gz ALXSGMOUPPSHMR-UHFFFAOYSA-N 1 2 358.417 2.257 20 70 FEIDLO COc1ccc([C@H](NC(=O)C(F)(F)C2(O)CCC2)c2[nH+]ccn2C)cc1 ZINC000161379092 326997404 /nfs/dbraw/zinc/99/74/04/326997404.db2.gz LCVOJDIRTMEZCP-AWEZNQCLSA-N 1 2 365.380 2.185 20 70 FEIDLO COC(=O)c1cccc(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000159515765 545959331 /nfs/dbraw/zinc/95/93/31/545959331.db2.gz VWOHURXBDZLCSU-UHFFFAOYSA-N 1 2 368.433 2.487 20 70 FEIDLO Cn1cc[nH+]c1[C@H](NC(=O)c1cnc2c(c1)ncn2C)c1cccc(F)c1 ZINC000159643266 545969760 /nfs/dbraw/zinc/96/97/60/545969760.db2.gz RDTLGHCZEWLZFA-MRXNPFEDSA-N 1 2 364.384 2.360 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159694520 545973005 /nfs/dbraw/zinc/97/30/05/545973005.db2.gz SFKPABXWIQATOT-HKUYNNGSSA-N 1 2 371.437 2.025 20 70 FEIDLO Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159694520 545973008 /nfs/dbraw/zinc/97/30/08/545973008.db2.gz SFKPABXWIQATOT-HKUYNNGSSA-N 1 2 371.437 2.025 20 70 FEIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C1 ZINC000159692921 545973381 /nfs/dbraw/zinc/97/33/81/545973381.db2.gz SQUJPDOZEXVGIN-HOTGVXAUSA-N 1 2 372.473 2.140 20 70 FEIDLO CC(C)NC(=O)c1ccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000159716881 545975220 /nfs/dbraw/zinc/97/52/20/545975220.db2.gz HQPMDSYDDYPNKU-UHFFFAOYSA-N 1 2 354.454 2.330 20 70 FEIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159983079 545996758 /nfs/dbraw/zinc/99/67/58/545996758.db2.gz RAOALDHSNQLUFE-HNAYVOBHSA-N 1 2 361.461 2.069 20 70 FEIDLO CC(C)(C(N)=O)c1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000160033203 546002027 /nfs/dbraw/zinc/00/20/27/546002027.db2.gz SESKTDOAXDMVLB-UHFFFAOYSA-N 1 2 369.469 2.347 20 70 FEIDLO Cc1nn(C)c(C)c1C[NH2+][C@H](C(N)=O)c1ccc(Br)cc1F ZINC000160098860 546007353 /nfs/dbraw/zinc/00/73/53/546007353.db2.gz OGLQGRFSDKVEBM-AWEZNQCLSA-N 1 2 369.238 2.255 20 70 FEIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2sccc2C)CC1 ZINC000160131919 546010621 /nfs/dbraw/zinc/01/06/21/546010621.db2.gz UXXNREKKJIGWQY-HOTGVXAUSA-N 1 2 363.527 2.173 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCOCC1 ZINC000160366011 546034182 /nfs/dbraw/zinc/03/41/82/546034182.db2.gz MWAPFLNBJZJVDQ-NSHDSACASA-N 1 2 367.298 2.240 20 70 FEIDLO C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1)C1CCOCC1 ZINC000160394409 546036636 /nfs/dbraw/zinc/03/66/36/546036636.db2.gz RDLICJTYTAYPNC-GOEBONIOSA-N 1 2 352.500 2.300 20 70 FEIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ncn(-c3ccccc3)n2)C1 ZINC000160470507 546044529 /nfs/dbraw/zinc/04/45/29/546044529.db2.gz JCKWRXNXAVJGPF-HNNXBMFYSA-N 1 2 350.426 2.096 20 70 FEIDLO COCCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160533877 546049784 /nfs/dbraw/zinc/04/97/84/546049784.db2.gz CICZJJUUHAZCEV-QGZVFWFLSA-N 1 2 353.484 2.093 20 70 FEIDLO COCCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160533877 546049786 /nfs/dbraw/zinc/04/97/86/546049786.db2.gz CICZJJUUHAZCEV-QGZVFWFLSA-N 1 2 353.484 2.093 20 70 FEIDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOC[C@@H]1[C@H]1CCCCC1=O ZINC000160583159 546053469 /nfs/dbraw/zinc/05/34/69/546053469.db2.gz MQWYNLSJOFERQN-QZTJIDSGSA-N 1 2 353.422 2.473 20 70 FEIDLO CCc1ncnc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)c1F ZINC000160714292 546065486 /nfs/dbraw/zinc/06/54/86/546065486.db2.gz ISYIFTPLAMQYLK-UHFFFAOYSA-N 1 2 359.449 2.302 20 70 FEIDLO O=C(N[C@H]1CCOC2(CCCC2)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160814294 546075200 /nfs/dbraw/zinc/07/52/00/546075200.db2.gz UCZMQLFQKPMANX-KRWDZBQOSA-N 1 2 358.486 2.401 20 70 FEIDLO C[C@H]1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)C[C@H]1n1cc[nH+]c1 ZINC000160825012 546075592 /nfs/dbraw/zinc/07/55/92/546075592.db2.gz PUOHQPXZNYCTRD-WCQYABFASA-N 1 2 370.379 2.428 20 70 FEIDLO Cc1c(/C=C/C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)cnn1C ZINC000161047445 546096332 /nfs/dbraw/zinc/09/63/32/546096332.db2.gz KYHRPGZMDFTBQP-BQYQJAHWSA-N 1 2 353.470 2.128 20 70 FEIDLO O=S(=O)(CC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161208391 546109358 /nfs/dbraw/zinc/10/93/58/546109358.db2.gz CJUZJMNUICIOBV-CQSZACIVSA-N 1 2 351.390 2.096 20 70 FEIDLO CN(C[C@H]1CCC[C@@H]1O)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000161294620 546117991 /nfs/dbraw/zinc/11/79/91/546117991.db2.gz SZBKGVPLXQIRTB-WQVCFCJDSA-N 1 2 355.429 2.370 20 70 FEIDLO CCc1noc(-c2ccc(CCNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)n1 ZINC000161317466 546119198 /nfs/dbraw/zinc/11/91/98/546119198.db2.gz SPGONNATXVRMQF-INIZCTEOSA-N 1 2 365.437 2.417 20 70 FEIDLO CCc1noc(-c2ccc(CCNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)n1 ZINC000161317355 546119227 /nfs/dbraw/zinc/11/92/27/546119227.db2.gz SPGONNATXVRMQF-MRXNPFEDSA-N 1 2 365.437 2.417 20 70 FEIDLO CCOC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000159381414 326929649 /nfs/dbraw/zinc/92/96/49/326929649.db2.gz VTFJCWLQMWTLHR-UHFFFAOYSA-N 1 2 370.247 2.058 20 70 FEIDLO C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159419087 326930863 /nfs/dbraw/zinc/93/08/63/326930863.db2.gz YGNIXYPFQTUPCM-CQSZACIVSA-N 1 2 355.442 2.211 20 70 FEIDLO Cn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1cccc(Cl)c1 ZINC000159742528 326940430 /nfs/dbraw/zinc/94/04/30/326940430.db2.gz NETPSYHRLDXFOF-UHFFFAOYSA-N 1 2 365.890 2.002 20 70 FEIDLO FC(F)(F)c1ccc(-n2nnnc2CSCC[NH+]2CCOCC2)cc1 ZINC000159995760 326949841 /nfs/dbraw/zinc/94/98/41/326949841.db2.gz NDYOVOPSPHJIEY-UHFFFAOYSA-N 1 2 373.404 2.247 20 70 FEIDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000160723691 326975003 /nfs/dbraw/zinc/97/50/03/326975003.db2.gz CBZGMZHXSRKUFM-GFCCVEGCSA-N 1 2 351.813 2.254 20 70 FEIDLO O=C(Nc1ccc(F)cc1)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161139196 326989430 /nfs/dbraw/zinc/98/94/30/326989430.db2.gz HHAJQRJWGJBUOM-OAHLLOKOSA-N 1 2 370.428 2.462 20 70 FEIDLO Cc1ccccc1-c1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)n(CCO)n1 ZINC000161213832 326991960 /nfs/dbraw/zinc/99/19/60/326991960.db2.gz SCTMBFUJBCFROT-HNNXBMFYSA-N 1 2 365.437 2.248 20 70 FEIDLO C[C@H](NC(=O)CN1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000161240325 326993023 /nfs/dbraw/zinc/99/30/23/326993023.db2.gz JWJDOUYNLJMOPM-INIZCTEOSA-N 1 2 356.445 2.216 20 70 FEIDLO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000161251582 326993102 /nfs/dbraw/zinc/99/31/02/326993102.db2.gz JXHJDYGUUFOLOY-AWEZNQCLSA-N 1 2 356.426 2.212 20 70 FEIDLO CCCNC(=O)CCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161297893 326995009 /nfs/dbraw/zinc/99/50/09/326995009.db2.gz LAFCLPOBRUFRSB-UHFFFAOYSA-N 1 2 351.878 2.291 20 70 FEIDLO O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161238713 518200905 /nfs/dbraw/zinc/20/09/05/518200905.db2.gz TWTYYGPUUKHADK-NSHDSACASA-N 1 2 367.331 2.189 20 70 FEIDLO CC[N@H+](CCc1nccs1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000159374095 545947317 /nfs/dbraw/zinc/94/73/17/545947317.db2.gz DQRHISKOXHHOKM-UHFFFAOYSA-N 1 2 350.469 2.030 20 70 FEIDLO CC[N@@H+](CCc1nccs1)CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000159374095 545947320 /nfs/dbraw/zinc/94/73/20/545947320.db2.gz DQRHISKOXHHOKM-UHFFFAOYSA-N 1 2 350.469 2.030 20 70 FEIDLO CCOC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380291 545948738 /nfs/dbraw/zinc/94/87/38/545948738.db2.gz DFQXKVNMMQVDQV-NSHDSACASA-N 1 2 370.247 2.058 20 70 FEIDLO CCOC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000159380291 545948740 /nfs/dbraw/zinc/94/87/40/545948740.db2.gz DFQXKVNMMQVDQV-NSHDSACASA-N 1 2 370.247 2.058 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)s1 ZINC000159448856 545954475 /nfs/dbraw/zinc/95/44/75/545954475.db2.gz PMWVTAPZXUVYOP-UHFFFAOYSA-N 1 2 366.936 2.380 20 70 FEIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1F ZINC000159455503 545955609 /nfs/dbraw/zinc/95/56/09/545955609.db2.gz ALAYVASWDKRJGG-GFCCVEGCSA-N 1 2 350.406 2.398 20 70 FEIDLO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1F ZINC000159455503 545955613 /nfs/dbraw/zinc/95/56/13/545955613.db2.gz ALAYVASWDKRJGG-GFCCVEGCSA-N 1 2 350.406 2.398 20 70 FEIDLO O=C(CCCc1nc(C2CC2)no1)NCc1cccnc1-n1cc[nH+]c1 ZINC000159477882 545957716 /nfs/dbraw/zinc/95/77/16/545957716.db2.gz UHAYJNBKKQZVPX-UHFFFAOYSA-N 1 2 352.398 2.167 20 70 FEIDLO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(C)(CO)CO ZINC000159599271 545966613 /nfs/dbraw/zinc/96/66/13/545966613.db2.gz FOUYAWHBHHQTJH-UHFFFAOYSA-N 1 2 368.783 2.220 20 70 FEIDLO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC(C)(CO)CO ZINC000159599271 545966615 /nfs/dbraw/zinc/96/66/15/545966615.db2.gz FOUYAWHBHHQTJH-UHFFFAOYSA-N 1 2 368.783 2.220 20 70 FEIDLO C[N@@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159642361 545969270 /nfs/dbraw/zinc/96/92/70/545969270.db2.gz BGRWGXGTSFVJFT-RISCZKNCSA-N 1 2 355.364 2.274 20 70 FEIDLO C[N@H+](Cc1nnnn1-c1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159642361 545969274 /nfs/dbraw/zinc/96/92/74/545969274.db2.gz BGRWGXGTSFVJFT-RISCZKNCSA-N 1 2 355.364 2.274 20 70 FEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000159783226 545979538 /nfs/dbraw/zinc/97/95/38/545979538.db2.gz YQABVLFNJHYXIU-HNNXBMFYSA-N 1 2 361.511 2.281 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000159842221 545985363 /nfs/dbraw/zinc/98/53/63/545985363.db2.gz GLAFVBSNHCRATM-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(-c2cccc(F)c2)s1 ZINC000159842221 545985366 /nfs/dbraw/zinc/98/53/66/545985366.db2.gz GLAFVBSNHCRATM-OAHLLOKOSA-N 1 2 362.426 2.418 20 70 FEIDLO CC(C)OCc1ccc(CNC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159899674 545990141 /nfs/dbraw/zinc/99/01/41/545990141.db2.gz FKVQTDWKJZTQLB-UHFFFAOYSA-N 1 2 366.527 2.293 20 70 FEIDLO Cc1ccsc1-c1nnc(NC(=O)CSCC[NH+]2CCOCC2)o1 ZINC000159997331 545998549 /nfs/dbraw/zinc/99/85/49/545998549.db2.gz PCSCICCUJLSQJC-UHFFFAOYSA-N 1 2 368.484 2.110 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c(C)[nH+]1 ZINC000160319539 546029165 /nfs/dbraw/zinc/02/91/65/546029165.db2.gz SSVQCFZMMACWFC-AWEZNQCLSA-N 1 2 368.441 2.039 20 70 FEIDLO CS(=O)(=O)c1ccc([C@@H](O)C[NH+]2CCN(c3cccs3)CC2)cc1 ZINC000160319104 546029945 /nfs/dbraw/zinc/02/99/45/546029945.db2.gz AFEQAZVKCCTWME-INIZCTEOSA-N 1 2 366.508 2.007 20 70 FEIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000160357215 546032772 /nfs/dbraw/zinc/03/27/72/546032772.db2.gz MZHVIGZGDZYBGH-UHFFFAOYSA-N 1 2 359.495 2.129 20 70 FEIDLO COc1cccc(C2(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CCCC2)c1 ZINC000160386129 546036671 /nfs/dbraw/zinc/03/66/71/546036671.db2.gz LVMVERDXRGABIZ-IBGZPJMESA-N 1 2 358.482 2.486 20 70 FEIDLO COc1cccc(C2(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CCCC2)c1 ZINC000160386129 546036673 /nfs/dbraw/zinc/03/66/73/546036673.db2.gz LVMVERDXRGABIZ-IBGZPJMESA-N 1 2 358.482 2.486 20 70 FEIDLO COC(=O)[C@H](C)[N@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000160420744 546039704 /nfs/dbraw/zinc/03/97/04/546039704.db2.gz LCNRDFUYFMAGNC-AWEZNQCLSA-N 1 2 362.451 2.481 20 70 FEIDLO COC(=O)[C@H](C)[N@@H+](C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000160420744 546039709 /nfs/dbraw/zinc/03/97/09/546039709.db2.gz LCNRDFUYFMAGNC-AWEZNQCLSA-N 1 2 362.451 2.481 20 70 FEIDLO COCCNc1nc(N(C)Cc2ccco2)[nH+]c(N(C)Cc2ccco2)n1 ZINC000160439685 546040683 /nfs/dbraw/zinc/04/06/83/546040683.db2.gz UHWKPYRNUCIHEC-UHFFFAOYSA-N 1 2 372.429 2.389 20 70 FEIDLO O=C(c1cnc(C(F)(F)F)nc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000160539983 546049655 /nfs/dbraw/zinc/04/96/55/546049655.db2.gz PZVVWLQLEJTWRW-UHFFFAOYSA-N 1 2 351.332 2.243 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000160576460 546053814 /nfs/dbraw/zinc/05/38/14/546053814.db2.gz MYGMTCDYTJISAC-CQSZACIVSA-N 1 2 370.453 2.217 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000160576460 546053820 /nfs/dbraw/zinc/05/38/20/546053820.db2.gz MYGMTCDYTJISAC-CQSZACIVSA-N 1 2 370.453 2.217 20 70 FEIDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160585514 546054967 /nfs/dbraw/zinc/05/49/67/546054967.db2.gz HQUMKQPOCQXXBS-ICSRJNTNSA-N 1 2 373.497 2.480 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000160746205 546067626 /nfs/dbraw/zinc/06/76/26/546067626.db2.gz LOMJBQGSTRYKHC-OLZOCXBDSA-N 1 2 364.515 2.354 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000160746205 546067629 /nfs/dbraw/zinc/06/76/29/546067629.db2.gz LOMJBQGSTRYKHC-OLZOCXBDSA-N 1 2 364.515 2.354 20 70 FEIDLO Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)n1 ZINC000160753258 546068832 /nfs/dbraw/zinc/06/88/32/546068832.db2.gz DEEXXISXTAAJEO-GOEBONIOSA-N 1 2 363.849 2.267 20 70 FEIDLO Cn1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000160753258 546068835 /nfs/dbraw/zinc/06/88/35/546068835.db2.gz DEEXXISXTAAJEO-GOEBONIOSA-N 1 2 363.849 2.267 20 70 FEIDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CNC(=O)c3cccnc3)n2)C1 ZINC000160834392 546076275 /nfs/dbraw/zinc/07/62/75/546076275.db2.gz VEUOJQUZODOSSW-ZDUSSCGKSA-N 1 2 373.482 2.139 20 70 FEIDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CNC(=O)c3cccnc3)n2)C1 ZINC000160834392 546076282 /nfs/dbraw/zinc/07/62/82/546076282.db2.gz VEUOJQUZODOSSW-ZDUSSCGKSA-N 1 2 373.482 2.139 20 70 FEIDLO Cc1onc(-c2ccncc2)c1C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000160843809 546077444 /nfs/dbraw/zinc/07/74/44/546077444.db2.gz YHGCORQZRUZWMV-GFCCVEGCSA-N 1 2 371.466 2.294 20 70 FEIDLO CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161158099 546105122 /nfs/dbraw/zinc/10/51/22/546105122.db2.gz LKCNYDMJGGZCMB-INIZCTEOSA-N 1 2 366.465 2.429 20 70 FEIDLO C[C@@H](NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000161181937 546108154 /nfs/dbraw/zinc/10/81/54/546108154.db2.gz KJEICUJBCZOYAC-MSOLQXFVSA-N 1 2 352.482 2.465 20 70 FEIDLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000161181937 546108159 /nfs/dbraw/zinc/10/81/59/546108159.db2.gz KJEICUJBCZOYAC-MSOLQXFVSA-N 1 2 352.482 2.465 20 70 FEIDLO O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161205567 546108988 /nfs/dbraw/zinc/10/89/88/546108988.db2.gz JETFTEOXFXREPI-HXUWFJFHSA-N 1 2 350.466 2.219 20 70 FEIDLO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161205567 546108994 /nfs/dbraw/zinc/10/89/94/546108994.db2.gz JETFTEOXFXREPI-HXUWFJFHSA-N 1 2 350.466 2.219 20 70 FEIDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161204644 546109083 /nfs/dbraw/zinc/10/90/83/546109083.db2.gz XVBPAIWJAKBUIS-QGZVFWFLSA-N 1 2 370.472 2.385 20 70 FEIDLO C[C@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161204644 546109087 /nfs/dbraw/zinc/10/90/87/546109087.db2.gz XVBPAIWJAKBUIS-QGZVFWFLSA-N 1 2 370.472 2.385 20 70 FEIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000161200696 546109188 /nfs/dbraw/zinc/10/91/88/546109188.db2.gz WYFAPVOODVMBPZ-GDBMZVCRSA-N 1 2 369.531 2.218 20 70 FEIDLO COc1ccc(-c2noc(CN3CC[NH+](Cc4ccncc4)CC3)n2)cc1 ZINC000161216812 546110435 /nfs/dbraw/zinc/11/04/35/546110435.db2.gz UIAQDZMWIAJFMF-UHFFFAOYSA-N 1 2 365.437 2.458 20 70 FEIDLO COC(=O)C[C@@H]1CSCC[N@@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161351032 546122607 /nfs/dbraw/zinc/12/26/07/546122607.db2.gz POOPXXCCECJDPJ-CZUORRHYSA-N 1 2 366.458 2.302 20 70 FEIDLO COC(=O)C[C@@H]1CSCC[N@H+]1[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000161351032 546122609 /nfs/dbraw/zinc/12/26/09/546122609.db2.gz POOPXXCCECJDPJ-CZUORRHYSA-N 1 2 366.458 2.302 20 70 FEIDLO COC(=O)CSCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161382857 546125884 /nfs/dbraw/zinc/12/58/84/546125884.db2.gz RZOWPSLUCLUASS-UHFFFAOYSA-N 1 2 370.902 2.281 20 70 FEIDLO CCN(CC)C(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N2CCCC2)[nH+]c1 ZINC000159377354 326929651 /nfs/dbraw/zinc/92/96/51/326929651.db2.gz PZURGCPXDCNHFG-QGZVFWFLSA-N 1 2 373.526 2.343 20 70 FEIDLO CCN(CC)C(=O)Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159669818 326938656 /nfs/dbraw/zinc/93/86/56/326938656.db2.gz MJAYEKQUPYJDBE-INIZCTEOSA-N 1 2 354.454 2.495 20 70 FEIDLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cnc2c(c1)ncn2C)c1ccc(F)cc1 ZINC000160048442 326951756 /nfs/dbraw/zinc/95/17/56/326951756.db2.gz TUAILBYRCAMSKF-INIZCTEOSA-N 1 2 364.384 2.360 20 70 FEIDLO CC(C)OC(=O)CCCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000160090950 326952984 /nfs/dbraw/zinc/95/29/84/326952984.db2.gz BPXBZSZYJBWXHE-INIZCTEOSA-N 1 2 362.474 2.202 20 70 FEIDLO COc1cc(OC)cc([C@H](NC(=O)[C@H]2CCCCO2)c2[nH+]ccn2C)c1 ZINC000160335167 326962120 /nfs/dbraw/zinc/96/21/20/326962120.db2.gz NHKIGVKYLLOLSO-SJORKVTESA-N 1 2 359.426 2.212 20 70 FEIDLO CC1(C)C[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCOCC2)CCO1 ZINC000161033123 326985703 /nfs/dbraw/zinc/98/57/03/326985703.db2.gz GSSBSOANOLINPH-GJZGRUSLSA-N 1 2 367.515 2.378 20 70 FEIDLO O=C(Nc1cccc(C(=O)N2CCSCC2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161041754 326986097 /nfs/dbraw/zinc/98/60/97/326986097.db2.gz BEOARLUZVLXHFE-AWEZNQCLSA-N 1 2 370.478 2.273 20 70 FEIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000161088444 326987539 /nfs/dbraw/zinc/98/75/39/326987539.db2.gz XLOALUCOCMYVSS-KRWDZBQOSA-N 1 2 374.462 2.098 20 70 FEIDLO CC(C)CCn1ccc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)n1 ZINC000161127216 326988967 /nfs/dbraw/zinc/98/89/67/326988967.db2.gz KEQMASURRZSUIH-UHFFFAOYSA-N 1 2 359.478 2.012 20 70 FEIDLO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161158219 326989999 /nfs/dbraw/zinc/98/99/99/326989999.db2.gz LKCNYDMJGGZCMB-MRXNPFEDSA-N 1 2 366.465 2.429 20 70 FEIDLO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161221650 326992173 /nfs/dbraw/zinc/99/21/73/326992173.db2.gz UTOXVBLWDZPJCF-MRXNPFEDSA-N 1 2 354.454 2.235 20 70 FEIDLO CCCC[C@@H](NC(=O)NCC)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000159478793 545957699 /nfs/dbraw/zinc/95/76/99/545957699.db2.gz ZOTDOXGAPXOMOK-HZPDHXFCSA-N 1 2 363.506 2.079 20 70 FEIDLO CN(C)c1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000159856827 545986265 /nfs/dbraw/zinc/98/62/65/545986265.db2.gz LCXZEGKYOAXYCD-UHFFFAOYSA-N 1 2 353.470 2.175 20 70 FEIDLO C[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160046845 546002962 /nfs/dbraw/zinc/00/29/62/546002962.db2.gz YHQJOKDHZVELCZ-SQGPQFPESA-N 1 2 357.498 2.319 20 70 FEIDLO Cc1cc2c(cc1NC(=O)N1CC[NH+](Cc3ccccn3)CC1)OCO2 ZINC000160052225 546003648 /nfs/dbraw/zinc/00/36/48/546003648.db2.gz MEOPDOZHJBRXRT-UHFFFAOYSA-N 1 2 354.410 2.468 20 70 FEIDLO COC(=O)c1ccc(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)o1 ZINC000160205961 546018159 /nfs/dbraw/zinc/01/81/59/546018159.db2.gz IMWKUCNWONHEKN-UHFFFAOYSA-N 1 2 357.410 2.066 20 70 FEIDLO O=C(Cc1ccc(Br)s1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160371175 546034149 /nfs/dbraw/zinc/03/41/49/546034149.db2.gz QBOOJNQBRXZWRM-NSHDSACASA-N 1 2 359.289 2.033 20 70 FEIDLO O=C(Cc1ccc(Br)s1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160371175 546034152 /nfs/dbraw/zinc/03/41/52/546034152.db2.gz QBOOJNQBRXZWRM-NSHDSACASA-N 1 2 359.289 2.033 20 70 FEIDLO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160510070 546048294 /nfs/dbraw/zinc/04/82/94/546048294.db2.gz MFAFLZWUUWAVRL-UHFFFAOYSA-N 1 2 368.363 2.190 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)n1 ZINC000160580199 546053245 /nfs/dbraw/zinc/05/32/45/546053245.db2.gz NYUTXAOCCCNGFW-UHFFFAOYSA-N 1 2 354.454 2.273 20 70 FEIDLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)sc2C1 ZINC000160610777 546057184 /nfs/dbraw/zinc/05/71/84/546057184.db2.gz HFTMUGQENCSGKH-UHFFFAOYSA-N 1 2 356.451 2.276 20 70 FEIDLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(=O)NC4CC4)cc3)sc2C1 ZINC000160610777 546057186 /nfs/dbraw/zinc/05/71/86/546057186.db2.gz HFTMUGQENCSGKH-UHFFFAOYSA-N 1 2 356.451 2.276 20 70 FEIDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1cccc(OC(F)(F)F)c1 ZINC000160642875 546058729 /nfs/dbraw/zinc/05/87/29/546058729.db2.gz AOIKDADRFPBKTQ-CQSZACIVSA-N 1 2 372.343 2.139 20 70 FEIDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1cccc(OC(F)(F)F)c1 ZINC000160642875 546058733 /nfs/dbraw/zinc/05/87/33/546058733.db2.gz AOIKDADRFPBKTQ-CQSZACIVSA-N 1 2 372.343 2.139 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1 ZINC000160890146 546081012 /nfs/dbraw/zinc/08/10/12/546081012.db2.gz QMTJUAGIHPHPPO-UHFFFAOYSA-N 1 2 372.444 2.412 20 70 FEIDLO O=C1[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)CCCN1CC(F)(F)F ZINC000161025631 546093991 /nfs/dbraw/zinc/09/39/91/546093991.db2.gz USEAONYSSVONGQ-HNNXBMFYSA-N 1 2 357.376 2.068 20 70 FEIDLO CC(C)c1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC2 ZINC000161440156 546129515 /nfs/dbraw/zinc/12/95/15/546129515.db2.gz JMNKRNSGMVWBOR-KGLIPLIRSA-N 1 2 357.462 2.376 20 70 FEIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1F ZINC000159373729 326929235 /nfs/dbraw/zinc/92/92/35/326929235.db2.gz GBJFKRQUCTTYBZ-GFCCVEGCSA-N 1 2 355.822 2.431 20 70 FEIDLO CN(CCOc1ccc(Cl)cc1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159922515 326947225 /nfs/dbraw/zinc/94/72/25/326947225.db2.gz ZBKRIAYEDNGKES-UHFFFAOYSA-N 1 2 372.918 2.243 20 70 FEIDLO COc1cc(CCNC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1C ZINC000160352458 326962553 /nfs/dbraw/zinc/96/25/53/326962553.db2.gz MUFSWLOOGHCPGV-UHFFFAOYSA-N 1 2 368.481 2.469 20 70 FEIDLO CNC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1C ZINC000160611319 326971226 /nfs/dbraw/zinc/97/12/26/326971226.db2.gz LVKXTKKMUVTRGN-AWEZNQCLSA-N 1 2 353.426 2.150 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CCCC1 ZINC000159417212 545952181 /nfs/dbraw/zinc/95/21/81/545952181.db2.gz YTWZOAYUWYGUMD-ZDUSSCGKSA-N 1 2 368.424 2.430 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@@H](C)Cc2c(F)cccc2F)CCCC1 ZINC000159417212 545952186 /nfs/dbraw/zinc/95/21/86/545952186.db2.gz YTWZOAYUWYGUMD-ZDUSSCGKSA-N 1 2 368.424 2.430 20 70 FEIDLO COc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC(F)F ZINC000159792457 545980587 /nfs/dbraw/zinc/98/05/87/545980587.db2.gz HSAVFROAVABCDX-GFCCVEGCSA-N 1 2 351.353 2.372 20 70 FEIDLO CC(C)(C)c1ccccc1S(=O)(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000160825528 546075095 /nfs/dbraw/zinc/07/50/95/546075095.db2.gz FALJTAPSWNFLAC-UHFFFAOYSA-N 1 2 354.516 2.061 20 70 FEIDLO Cc1onc(-c2ccncc2)c1C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000160843688 546077802 /nfs/dbraw/zinc/07/78/02/546077802.db2.gz YHGCORQZRUZWMV-LBPRGKRZSA-N 1 2 371.466 2.294 20 70 FEIDLO CC(C)n1nccc1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161197776 546109763 /nfs/dbraw/zinc/10/97/63/546109763.db2.gz IGNOQFREKXUDKO-MRXNPFEDSA-N 1 2 356.474 2.004 20 70 FEIDLO CN(Cc1ccccc1F)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161244531 546113301 /nfs/dbraw/zinc/11/33/01/546113301.db2.gz HHFQBKFKHOBEES-MRXNPFEDSA-N 1 2 362.367 2.419 20 70 FEIDLO C[NH+](C)[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)c1ccc(F)cc1 ZINC000161291092 546116766 /nfs/dbraw/zinc/11/67/66/546116766.db2.gz XOGVTQYXXHHBMO-AWEZNQCLSA-N 1 2 370.471 2.323 20 70 FEIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(-c3cccnc3)n1)CC2 ZINC000161344997 546122182 /nfs/dbraw/zinc/12/21/82/546122182.db2.gz JUPNNZUUWIFNBU-AWEZNQCLSA-N 1 2 351.414 2.012 20 70 FEIDLO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)[nH+]cn1 ZINC000217113129 548680526 /nfs/dbraw/zinc/68/05/26/548680526.db2.gz SWTASYLTIQEKJA-IAGOWNOFSA-N 1 2 358.417 2.155 20 70 FEIDLO OC[C@H]1CCCN1c1cc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc[nH+]1 ZINC000217113129 548680531 /nfs/dbraw/zinc/68/05/31/548680531.db2.gz SWTASYLTIQEKJA-IAGOWNOFSA-N 1 2 358.417 2.155 20 70 FEIDLO COc1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1OC ZINC000159437360 326931441 /nfs/dbraw/zinc/93/14/41/326931441.db2.gz YNHFMASRWBJISX-UHFFFAOYSA-N 1 2 370.453 2.126 20 70 FEIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000159482162 326933060 /nfs/dbraw/zinc/93/30/60/326933060.db2.gz YXUNFHINWGSPBO-MRXNPFEDSA-N 1 2 370.457 2.059 20 70 FEIDLO COc1ccc([C@H](NC(=O)N[C@H]2CCC[C@@H]2OC)c2[nH+]ccn2C)cc1 ZINC000159537912 326934755 /nfs/dbraw/zinc/93/47/55/326934755.db2.gz HYKJCUMKVXLFJX-ULQDDVLXSA-N 1 2 358.442 2.385 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)c1cccc(OCC(F)(F)F)n1 ZINC000159836621 326943800 /nfs/dbraw/zinc/94/38/00/326943800.db2.gz MJEOQJWTIDPEOR-UHFFFAOYSA-N 1 2 354.332 2.414 20 70 FEIDLO O=C(CCCc1nc(C2CC2)no1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000159886929 326945755 /nfs/dbraw/zinc/94/57/55/326945755.db2.gz HKMGDBFZVPHATE-UHFFFAOYSA-N 1 2 355.442 2.450 20 70 FEIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000159982979 326949333 /nfs/dbraw/zinc/94/93/33/326949333.db2.gz RAOALDHSNQLUFE-DNVCBOLYSA-N 1 2 361.461 2.069 20 70 FEIDLO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCOC[C@@H]1[C@@H]1CCCCC1=O ZINC000160384038 326963792 /nfs/dbraw/zinc/96/37/92/326963792.db2.gz SOXMVFUUDNNLNL-ZWKOTPCHSA-N 1 2 353.422 2.473 20 70 FEIDLO CCOC(=O)C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000160620596 326971784 /nfs/dbraw/zinc/97/17/84/326971784.db2.gz IFIPXZHZSUREFC-GOEBONIOSA-N 1 2 359.401 2.395 20 70 FEIDLO O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000160873445 326980090 /nfs/dbraw/zinc/98/00/90/326980090.db2.gz WGJOBUCSPTXPMX-AQNXPRMDSA-N 1 2 373.497 2.413 20 70 FEIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H]1COc2ccccc21 ZINC000160959621 326983432 /nfs/dbraw/zinc/98/34/32/326983432.db2.gz UZSJAACEFNDBSY-QFBILLFUSA-N 1 2 366.465 2.474 20 70 FEIDLO CN(CCCn1cc[nH+]c1)C(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000161103452 326988179 /nfs/dbraw/zinc/98/81/79/326988179.db2.gz AIJCRDROBHFOIJ-UHFFFAOYSA-N 1 2 363.421 2.432 20 70 FEIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1nc2ccccc2s1 ZINC000161154287 326989870 /nfs/dbraw/zinc/98/98/70/326989870.db2.gz OTXXFVBNEYTXEX-UHFFFAOYSA-N 1 2 367.478 2.448 20 70 FEIDLO CC[C@H]([NH2+]Cc1nnc2n1c1ccccc1c(=O)n2C)c1nccs1 ZINC000161179758 326990680 /nfs/dbraw/zinc/99/06/80/326990680.db2.gz LZPOLRAOOUTVGE-LBPRGKRZSA-N 1 2 354.439 2.279 20 70 FEIDLO CC(C)[C@H](CNC(=O)c1csc([C@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161462527 327000011 /nfs/dbraw/zinc/00/00/11/327000011.db2.gz WMYVDWMTVMOTDA-LSDHHAIUSA-N 1 2 353.488 2.081 20 70 FEIDLO CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000161459674 327000082 /nfs/dbraw/zinc/00/00/82/327000082.db2.gz DVIKFDMNEIZOQE-WBVHZDCISA-N 1 2 369.469 2.168 20 70 FEIDLO C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161465457 327000096 /nfs/dbraw/zinc/00/00/96/327000096.db2.gz FGZREBGUGNJZOC-FZMZJTMJSA-N 1 2 355.364 2.359 20 70 FEIDLO CC[N@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(OC)c1 ZINC000159423420 545952087 /nfs/dbraw/zinc/95/20/87/545952087.db2.gz WXJRORSRLNNSNX-UHFFFAOYSA-N 1 2 354.497 2.490 20 70 FEIDLO CC[N@@H+](CCc1nccs1)CCS(=O)(=O)c1cccc(OC)c1 ZINC000159423420 545952092 /nfs/dbraw/zinc/95/20/92/545952092.db2.gz WXJRORSRLNNSNX-UHFFFAOYSA-N 1 2 354.497 2.490 20 70 FEIDLO O=C(CCc1nc(-c2ccoc2)no1)NCCc1cn2c([nH+]1)CCCC2 ZINC000159551199 545962523 /nfs/dbraw/zinc/96/25/23/545962523.db2.gz SVRMCDQOVLNHNI-UHFFFAOYSA-N 1 2 355.398 2.154 20 70 FEIDLO C[N@@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159619857 545967775 /nfs/dbraw/zinc/96/77/75/545967775.db2.gz ZSGXJDHCDOTVGX-FZMZJTMJSA-N 1 2 366.263 2.018 20 70 FEIDLO C[N@H+](Cc1nnnn1-c1ccccc1Br)C[C@@H]1CCC[C@@H]1O ZINC000159619857 545967777 /nfs/dbraw/zinc/96/77/77/545967777.db2.gz ZSGXJDHCDOTVGX-FZMZJTMJSA-N 1 2 366.263 2.018 20 70 FEIDLO CC[C@H](NC(=O)c1[nH]nc2c1CCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159633612 545968625 /nfs/dbraw/zinc/96/86/25/545968625.db2.gz GKBNMZRQYBDIAV-HKUYNNGSSA-N 1 2 368.481 2.308 20 70 FEIDLO CC[C@H](NC(=O)c1[nH]nc2c1CCC2)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159633612 545968629 /nfs/dbraw/zinc/96/86/29/545968629.db2.gz GKBNMZRQYBDIAV-HKUYNNGSSA-N 1 2 368.481 2.308 20 70 FEIDLO C[C@@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)c1ccc(Br)cc1 ZINC000160157284 546012554 /nfs/dbraw/zinc/01/25/54/546012554.db2.gz PUGVOXJVKDECEZ-UONOGXRCSA-N 1 2 368.319 2.305 20 70 FEIDLO Cc1noc(C)c1C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160333724 546030995 /nfs/dbraw/zinc/03/09/95/546030995.db2.gz RHDJRLTVIJONHO-CQSZACIVSA-N 1 2 357.458 2.145 20 70 FEIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1nc(C(C)(C)C)no1 ZINC000160489670 546045361 /nfs/dbraw/zinc/04/53/61/546045361.db2.gz LONILXZKJBHVQJ-CQSZACIVSA-N 1 2 372.473 2.351 20 70 FEIDLO CO[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000160513074 546048367 /nfs/dbraw/zinc/04/83/67/546048367.db2.gz VRUHUEHJMLKPBQ-LJQANCHMSA-N 1 2 372.444 2.436 20 70 FEIDLO COC[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1ccc(C)o1 ZINC000160541048 546050487 /nfs/dbraw/zinc/05/04/87/546050487.db2.gz XEDWCQYKOHWNPR-KRWDZBQOSA-N 1 2 358.442 2.198 20 70 FEIDLO O=C(NCCc1cc(F)ccc1F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160555724 546051522 /nfs/dbraw/zinc/05/15/22/546051522.db2.gz KAHWSULNIDFPGT-UHFFFAOYSA-N 1 2 360.408 2.430 20 70 FEIDLO OC[C@H]1CCCN(c2cc(N3CCN(c4cccs4)CC3)nc[nH+]2)C1 ZINC000160667544 546061842 /nfs/dbraw/zinc/06/18/42/546061842.db2.gz PGFCAXSOVBTVIZ-HNNXBMFYSA-N 1 2 359.499 2.073 20 70 FEIDLO OC[C@H]1CCCN(c2cc(N3CCN(c4cccs4)CC3)[nH+]cn2)C1 ZINC000160667544 546061845 /nfs/dbraw/zinc/06/18/45/546061845.db2.gz PGFCAXSOVBTVIZ-HNNXBMFYSA-N 1 2 359.499 2.073 20 70 FEIDLO C[C@]1(O)CCCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)C1 ZINC000160771487 546071560 /nfs/dbraw/zinc/07/15/60/546071560.db2.gz JFSBCLUZWSAHFQ-HNNXBMFYSA-N 1 2 367.247 2.153 20 70 FEIDLO Cc1c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cnn1-c1cc(C)ccc1C ZINC000160891005 546082105 /nfs/dbraw/zinc/08/21/05/546082105.db2.gz XVRSIEUHDXBIOV-MOPGFXCFSA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1c(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cnn1-c1cc(C)ccc1C ZINC000160891005 546082106 /nfs/dbraw/zinc/08/21/06/546082106.db2.gz XVRSIEUHDXBIOV-MOPGFXCFSA-N 1 2 369.469 2.344 20 70 FEIDLO Cc1ccc(C(=O)NC2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)s1 ZINC000161053866 546096412 /nfs/dbraw/zinc/09/64/12/546096412.db2.gz OGYSBHQFMFLBIS-AWEZNQCLSA-N 1 2 372.494 2.236 20 70 FEIDLO COCc1ccccc1CNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161253221 546113584 /nfs/dbraw/zinc/11/35/84/546113584.db2.gz HBSSGLAWWCSOQB-KRWDZBQOSA-N 1 2 374.403 2.084 20 70 FEIDLO CCNc1nc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)cs1 ZINC000161408152 546128511 /nfs/dbraw/zinc/12/85/11/546128511.db2.gz QSCOSLNFHIIUHU-SJORKVTESA-N 1 2 372.494 2.300 20 70 FEIDLO CCNc1nc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cs1 ZINC000161408152 546128516 /nfs/dbraw/zinc/12/85/16/546128516.db2.gz QSCOSLNFHIIUHU-SJORKVTESA-N 1 2 372.494 2.300 20 70 FEIDLO CCc1ncsc1NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000159387843 326929976 /nfs/dbraw/zinc/92/99/76/326929976.db2.gz ZDFWQCQQEWCFGT-UHFFFAOYSA-N 1 2 367.496 2.293 20 70 FEIDLO C[C@](O)(CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000159603478 326936469 /nfs/dbraw/zinc/93/64/69/326936469.db2.gz QRPDVZWAVDLCHX-IBGZPJMESA-N 1 2 360.433 2.108 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000159758411 326940870 /nfs/dbraw/zinc/94/08/70/326940870.db2.gz IPESAHIWLFTBLF-DZKIICNBSA-N 1 2 374.485 2.106 20 70 FEIDLO Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160528296 326968585 /nfs/dbraw/zinc/96/85/85/326968585.db2.gz CRIWLXRZAYUSAS-HNNXBMFYSA-N 1 2 353.426 2.279 20 70 FEIDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOC[C@H]1[C@@H]1CCCCC1=O ZINC000160583059 326970304 /nfs/dbraw/zinc/97/03/04/326970304.db2.gz MQWYNLSJOFERQN-ROUUACIJSA-N 1 2 353.422 2.473 20 70 FEIDLO COc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1OC(F)F ZINC000161121219 326988573 /nfs/dbraw/zinc/98/85/73/326988573.db2.gz GGDVYWRKSBIKNH-ZDUSSCGKSA-N 1 2 365.380 2.414 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cn(-c2ccccc2Cl)nn1 ZINC000161312313 326995533 /nfs/dbraw/zinc/99/55/33/326995533.db2.gz FEKYDGAHTAOCPR-ZDUSSCGKSA-N 1 2 368.828 2.324 20 70 FEIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(-c3ccncc3)n1)CC2 ZINC000161334403 326996190 /nfs/dbraw/zinc/99/61/90/326996190.db2.gz QDATXGLNMNOKOQ-AWEZNQCLSA-N 1 2 351.414 2.012 20 70 FEIDLO CCc1cc(N[C@H]2CCc3nc(COC)nn3C2)nc(-c2ccncc2)[nH+]1 ZINC000161359791 326997073 /nfs/dbraw/zinc/99/70/73/326997073.db2.gz FHEXQNWPIMCAEM-HNNXBMFYSA-N 1 2 365.441 2.266 20 70 FEIDLO O=C(CCCc1nc(C2CC2)no1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159385618 545948941 /nfs/dbraw/zinc/94/89/41/545948941.db2.gz FRVXAVNWGWFOBV-UHFFFAOYSA-N 1 2 355.442 2.009 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000159464277 545956639 /nfs/dbraw/zinc/95/66/39/545956639.db2.gz FBXJSAYWNUBLEN-UHFFFAOYSA-N 1 2 360.907 2.319 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000159484528 545957579 /nfs/dbraw/zinc/95/75/79/545957579.db2.gz GFNFNJSYSFMXKF-UHFFFAOYSA-N 1 2 366.527 2.154 20 70 FEIDLO O=C(CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)N1CCc2ccccc21 ZINC000159480854 545957733 /nfs/dbraw/zinc/95/77/33/545957733.db2.gz BPWJPYDWDGLERL-MJGOQNOKSA-N 1 2 370.449 2.383 20 70 FEIDLO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)N1CCc2ccccc21 ZINC000159480854 545957736 /nfs/dbraw/zinc/95/77/36/545957736.db2.gz BPWJPYDWDGLERL-MJGOQNOKSA-N 1 2 370.449 2.383 20 70 FEIDLO COc1ccc(C[NH+]2CCN(C(=O)C3=CCCC3)CC2)c(OC)c1OC ZINC000159551173 545962645 /nfs/dbraw/zinc/96/26/45/545962645.db2.gz HAMSXOFPQYOCIE-UHFFFAOYSA-N 1 2 360.454 2.467 20 70 FEIDLO C[N@H+](CC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(CO)CO ZINC000159576654 545964012 /nfs/dbraw/zinc/96/40/12/545964012.db2.gz SNKQVIXIBBQALG-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO C[N@@H+](CC(=O)Nc1ccccc1Oc1ccccc1)CC(C)(CO)CO ZINC000159576654 545964016 /nfs/dbraw/zinc/96/40/16/545964016.db2.gz SNKQVIXIBBQALG-UHFFFAOYSA-N 1 2 358.438 2.340 20 70 FEIDLO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159582423 545964481 /nfs/dbraw/zinc/96/44/81/545964481.db2.gz LRJOKYMDWBOCRK-MRXNPFEDSA-N 1 2 354.454 2.246 20 70 FEIDLO C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)O1 ZINC000159635081 545969107 /nfs/dbraw/zinc/96/91/07/545969107.db2.gz GOTKOPMDURDSTK-ATZDWAIDSA-N 1 2 354.454 2.378 20 70 FEIDLO C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C[C@H](c2ccccc2)O1 ZINC000159635081 545969108 /nfs/dbraw/zinc/96/91/08/545969108.db2.gz GOTKOPMDURDSTK-ATZDWAIDSA-N 1 2 354.454 2.378 20 70 FEIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@@H]21 ZINC000159726565 545975929 /nfs/dbraw/zinc/97/59/29/545975929.db2.gz WZZDQZLELORHPX-CMPLNLGQSA-N 1 2 353.831 2.212 20 70 FEIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)C[C@@H]21 ZINC000159726565 545975933 /nfs/dbraw/zinc/97/59/33/545975933.db2.gz WZZDQZLELORHPX-CMPLNLGQSA-N 1 2 353.831 2.212 20 70 FEIDLO c1cn(CCSc2nc(CN3CCOCC3)nc3ccccc32)c[nH+]1 ZINC000159751650 545977632 /nfs/dbraw/zinc/97/76/32/545977632.db2.gz VGNQQBGLMDCMOY-UHFFFAOYSA-N 1 2 355.467 2.451 20 70 FEIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCN1c1ccccc1OC(F)F ZINC000159774675 545979900 /nfs/dbraw/zinc/97/99/00/545979900.db2.gz ISNUENXRTNVOIS-OAHLLOKOSA-N 1 2 372.437 2.459 20 70 FEIDLO COCCCn1c(C)cc(C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159926588 545992902 /nfs/dbraw/zinc/99/29/02/545992902.db2.gz APANOKQHAJHAAK-UHFFFAOYSA-N 1 2 354.516 2.390 20 70 FEIDLO COC(=O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000160031077 546001869 /nfs/dbraw/zinc/00/18/69/546001869.db2.gz OSCPSIIOKZVIBZ-UHFFFAOYSA-N 1 2 355.232 2.273 20 70 FEIDLO CN(C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160225736 546019059 /nfs/dbraw/zinc/01/90/59/546019059.db2.gz QZKLSLIXHCKEMI-MRXNPFEDSA-N 1 2 353.426 2.184 20 70 FEIDLO Cc1conc1NC(=O)C(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000160290512 546027307 /nfs/dbraw/zinc/02/73/07/546027307.db2.gz RPWFGGAGZCMDCQ-UHFFFAOYSA-N 1 2 370.453 2.389 20 70 FEIDLO COc1cc(OC)cc([C@@H](NC(=O)[C@@H]2CCCCO2)c2[nH+]ccn2C)c1 ZINC000160334779 546031969 /nfs/dbraw/zinc/03/19/69/546031969.db2.gz NHKIGVKYLLOLSO-DLBZAZTESA-N 1 2 359.426 2.212 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)C[NH+]1CCOCC1 ZINC000160367399 546033723 /nfs/dbraw/zinc/03/37/23/546033723.db2.gz YNOXAAJBFNRIEG-VIFPVBQESA-N 1 2 373.327 2.302 20 70 FEIDLO C[C@H](CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)C[NH+]1CCOCC1 ZINC000160366116 546034225 /nfs/dbraw/zinc/03/42/25/546034225.db2.gz MWAPFLNBJZJVDQ-LLVKDONJSA-N 1 2 367.298 2.240 20 70 FEIDLO CC[C@@H](C)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160399752 546037467 /nfs/dbraw/zinc/03/74/67/546037467.db2.gz FOPKTKBGNPFHIV-HZPDHXFCSA-N 1 2 354.516 2.447 20 70 FEIDLO Cc1ccc(C2(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)CCOCC2)cc1 ZINC000160402338 546037590 /nfs/dbraw/zinc/03/75/90/546037590.db2.gz SIOHVSSVJMAWKC-IBGZPJMESA-N 1 2 358.482 2.023 20 70 FEIDLO Cc1ccc(C2(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)CCOCC2)cc1 ZINC000160402338 546037592 /nfs/dbraw/zinc/03/75/92/546037592.db2.gz SIOHVSSVJMAWKC-IBGZPJMESA-N 1 2 358.482 2.023 20 70 FEIDLO O=C(NC1CCN(c2cccc[nH+]2)CC1)N1CCCN(CC(F)F)CC1 ZINC000160434200 546041141 /nfs/dbraw/zinc/04/11/41/546041141.db2.gz XJGCNNRJWIFILA-UHFFFAOYSA-N 1 2 367.444 2.033 20 70 FEIDLO Cc1[nH+]c2cc(NC(=O)C(=O)Nc3cnn(CC(C)C)c3)ccc2n1C ZINC000160492679 546045375 /nfs/dbraw/zinc/04/53/75/546045375.db2.gz ZXFDZIVIWJGQAE-UHFFFAOYSA-N 1 2 354.414 2.311 20 70 FEIDLO CCc1cc(=O)[nH]c(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000160595979 546055278 /nfs/dbraw/zinc/05/52/78/546055278.db2.gz SCYLYVDZEAWESM-UHFFFAOYSA-N 1 2 356.474 2.289 20 70 FEIDLO Cc1nc2ccccn2c1C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000160874262 546080294 /nfs/dbraw/zinc/08/02/94/546080294.db2.gz WZMNNNDXDDHAJB-KRWDZBQOSA-N 1 2 356.470 2.246 20 70 FEIDLO Cc1nc2ccccn2c1C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000160874262 546080296 /nfs/dbraw/zinc/08/02/96/546080296.db2.gz WZMNNNDXDDHAJB-KRWDZBQOSA-N 1 2 356.470 2.246 20 70 FEIDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161204545 546109507 /nfs/dbraw/zinc/10/95/07/546109507.db2.gz XVBPAIWJAKBUIS-KRWDZBQOSA-N 1 2 370.472 2.385 20 70 FEIDLO C[C@@H](C(=O)N(C)Cc1cccc(F)c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161204545 546109511 /nfs/dbraw/zinc/10/95/11/546109511.db2.gz XVBPAIWJAKBUIS-KRWDZBQOSA-N 1 2 370.472 2.385 20 70 FEIDLO CC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000161385641 546125796 /nfs/dbraw/zinc/12/57/96/546125796.db2.gz FIGCKSZSOPZMJJ-QGZVFWFLSA-N 1 2 363.889 2.243 20 70 FEIDLO O=S(=O)(Cc1cccc(Cl)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218102453 548684752 /nfs/dbraw/zinc/68/47/52/548684752.db2.gz ZJGHNLBGHAGBEF-OAHLLOKOSA-N 1 2 351.859 2.433 20 70 FEIDLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1C ZINC000159450415 326932152 /nfs/dbraw/zinc/93/21/52/326932152.db2.gz AYVPUDAVTJKHFK-UHFFFAOYSA-N 1 2 354.516 2.282 20 70 FEIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000159482025 326933016 /nfs/dbraw/zinc/93/30/16/326933016.db2.gz YXUNFHINWGSPBO-INIZCTEOSA-N 1 2 370.457 2.059 20 70 FEIDLO COc1ccc(C(C)(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1OC ZINC000159535210 326934326 /nfs/dbraw/zinc/93/43/26/326934326.db2.gz IDSVIBSDWRYMDE-UHFFFAOYSA-N 1 2 364.486 2.208 20 70 FEIDLO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000159765781 326941401 /nfs/dbraw/zinc/94/14/01/326941401.db2.gz XXEPUEHAENEOOE-QGZVFWFLSA-N 1 2 360.433 2.240 20 70 FEIDLO CCc1ccc([C@@H](CO)NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160270624 326959972 /nfs/dbraw/zinc/95/99/72/326959972.db2.gz NXYFBWBHRUPFMQ-ZWKOTPCHSA-N 1 2 354.454 2.256 20 70 FEIDLO CCO[C@@H]1C[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C12CCC2 ZINC000160709899 326974572 /nfs/dbraw/zinc/97/45/72/326974572.db2.gz NFDYEABWCGOMOT-JKSUJKDBSA-N 1 2 353.507 2.086 20 70 FEIDLO Cn1c(=O)oc2c1cccc2C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161101674 326988012 /nfs/dbraw/zinc/98/80/12/326988012.db2.gz CZMRZDIWQLQRIP-UHFFFAOYSA-N 1 2 366.352 2.386 20 70 FEIDLO CC(C)C[C@@H](CNC(=O)c1csc([C@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161500255 327001214 /nfs/dbraw/zinc/00/12/14/327001214.db2.gz WBOOSAUTOODBNM-GOEBONIOSA-N 1 2 367.515 2.471 20 70 FEIDLO COc1ccccc1[C@@H](NC(=O)N1CCC[C@@](C)(O)C1)c1[nH+]ccn1C ZINC000160047894 546003524 /nfs/dbraw/zinc/00/35/24/546003524.db2.gz IRPOFRVGZVWIEM-VQIMIIECSA-N 1 2 358.442 2.075 20 70 FEIDLO COc1cc(OC)cc([C@H](NC(=O)[C@@H]2CCCCO2)c2[nH+]ccn2C)c1 ZINC000160334922 546031519 /nfs/dbraw/zinc/03/15/19/546031519.db2.gz NHKIGVKYLLOLSO-IRXDYDNUSA-N 1 2 359.426 2.212 20 70 FEIDLO Cc1ccc(C2(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)CCOCC2)cc1 ZINC000160402205 546037389 /nfs/dbraw/zinc/03/73/89/546037389.db2.gz SIOHVSSVJMAWKC-LJQANCHMSA-N 1 2 358.482 2.023 20 70 FEIDLO Cc1ccc(C2(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)CCOCC2)cc1 ZINC000160402205 546037395 /nfs/dbraw/zinc/03/73/95/546037395.db2.gz SIOHVSSVJMAWKC-LJQANCHMSA-N 1 2 358.482 2.023 20 70 FEIDLO CC(=O)N1CCc2cc(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc21 ZINC000160414142 546038711 /nfs/dbraw/zinc/03/87/11/546038711.db2.gz HNBFIQIMCREFKV-QGZVFWFLSA-N 1 2 365.437 2.391 20 70 FEIDLO CCNc1nc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cs1 ZINC000160570380 546052209 /nfs/dbraw/zinc/05/22/09/546052209.db2.gz JBNQBSHNLMIHRB-UHFFFAOYSA-N 1 2 370.482 2.181 20 70 FEIDLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000160616949 546056595 /nfs/dbraw/zinc/05/65/95/546056595.db2.gz GNDLMDRWKZJCQH-AWEZNQCLSA-N 1 2 356.344 2.260 20 70 FEIDLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccc(C(F)(F)F)cc1 ZINC000160616949 546056600 /nfs/dbraw/zinc/05/66/00/546056600.db2.gz GNDLMDRWKZJCQH-AWEZNQCLSA-N 1 2 356.344 2.260 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000160736436 546067112 /nfs/dbraw/zinc/06/71/12/546067112.db2.gz ZQKHOBPGLQBWFW-UHFFFAOYSA-N 1 2 370.428 2.202 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000160736436 546067117 /nfs/dbraw/zinc/06/71/17/546067117.db2.gz ZQKHOBPGLQBWFW-UHFFFAOYSA-N 1 2 370.428 2.202 20 70 FEIDLO COc1cc(C)cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000160899269 546082458 /nfs/dbraw/zinc/08/24/58/546082458.db2.gz ZRVRDCVYYSFDGT-UHFFFAOYSA-N 1 2 354.454 2.426 20 70 FEIDLO CC[C@H](C(=O)NCc1n[nH]c(-c2ccc(Br)cc2)n1)[NH+](C)C ZINC000160904877 546083657 /nfs/dbraw/zinc/08/36/57/546083657.db2.gz KFVGYRZMKKFDLP-GFCCVEGCSA-N 1 2 366.263 2.191 20 70 FEIDLO CC[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)[NH+](C)C ZINC000160904877 546083660 /nfs/dbraw/zinc/08/36/60/546083660.db2.gz KFVGYRZMKKFDLP-GFCCVEGCSA-N 1 2 366.263 2.191 20 70 FEIDLO COc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1OC(C)C ZINC000161017456 546092585 /nfs/dbraw/zinc/09/25/85/546092585.db2.gz YYNCNNDAPXKMPI-SFHVURJKSA-N 1 2 362.470 2.306 20 70 FEIDLO O=C(Nc1cccc(N2CCOCC2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161150263 546104776 /nfs/dbraw/zinc/10/47/76/546104776.db2.gz CHFDBDTZXRUHCZ-QGZVFWFLSA-N 1 2 367.453 2.319 20 70 FEIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000161200820 546109140 /nfs/dbraw/zinc/10/91/40/546109140.db2.gz WYFAPVOODVMBPZ-ZBFHGGJFSA-N 1 2 369.531 2.218 20 70 FEIDLO Cc1ccc(C(=O)N2CCC(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000161236739 546112400 /nfs/dbraw/zinc/11/24/00/546112400.db2.gz UIDKDZGMJAEHEI-QGZVFWFLSA-N 1 2 366.465 2.175 20 70 FEIDLO Cc1ccc(C(=O)N2CCC(NC(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000161236860 546112962 /nfs/dbraw/zinc/11/29/62/546112962.db2.gz UIDKDZGMJAEHEI-KRWDZBQOSA-N 1 2 366.465 2.175 20 70 FEIDLO Cc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1F ZINC000159485309 326933183 /nfs/dbraw/zinc/93/31/83/326933183.db2.gz RTTFCIVRSQZESL-UHFFFAOYSA-N 1 2 358.479 2.113 20 70 FEIDLO COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000160395987 326964245 /nfs/dbraw/zinc/96/42/45/326964245.db2.gz QGAUVLMVIYJLNT-NVXWUHKLSA-N 1 2 373.840 2.270 20 70 FEIDLO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000160412838 326964740 /nfs/dbraw/zinc/96/47/40/326964740.db2.gz ISHWOGHRILQDQY-NSHDSACASA-N 1 2 367.298 2.240 20 70 FEIDLO COc1cc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)ccc1OC(C)C ZINC000160971248 326983821 /nfs/dbraw/zinc/98/38/21/326983821.db2.gz ANWRPAHQPTYAAU-GOSISDBHSA-N 1 2 362.470 2.306 20 70 FEIDLO CS[C@H](C)CC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000161221488 326992265 /nfs/dbraw/zinc/99/22/65/326992265.db2.gz JBRIDTUNXSDTAL-OAHLLOKOSA-N 1 2 352.500 2.155 20 70 FEIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccccc1Cl ZINC000159431160 545953345 /nfs/dbraw/zinc/95/33/45/545953345.db2.gz YYIRYUWXNSRVIM-UHFFFAOYSA-N 1 2 374.934 2.460 20 70 FEIDLO C[N@H+](C[C@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159632494 545968421 /nfs/dbraw/zinc/96/84/21/545968421.db2.gz SVFNBHCNMXZKRZ-IIMNLJJBSA-N 1 2 359.239 2.207 20 70 FEIDLO C[N@@H+](C[C@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159632494 545968423 /nfs/dbraw/zinc/96/84/23/545968423.db2.gz SVFNBHCNMXZKRZ-IIMNLJJBSA-N 1 2 359.239 2.207 20 70 FEIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000159668835 545971165 /nfs/dbraw/zinc/97/11/65/545971165.db2.gz APBJHOUGVIZOOE-RPWHMATFSA-N 1 2 356.344 2.140 20 70 FEIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3ccccc3OC(F)(F)F)C[C@@H]21 ZINC000159668835 545971166 /nfs/dbraw/zinc/97/11/66/545971166.db2.gz APBJHOUGVIZOOE-RPWHMATFSA-N 1 2 356.344 2.140 20 70 FEIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cnc(C(F)(F)F)nc1 ZINC000160019410 546001039 /nfs/dbraw/zinc/00/10/39/546001039.db2.gz HWBMIXKBHPMAEN-UHFFFAOYSA-N 1 2 351.332 2.421 20 70 FEIDLO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)NCC[NH+]1CCOCC1 ZINC000160215590 546018313 /nfs/dbraw/zinc/01/83/13/546018313.db2.gz RQJWMIALRDVMDZ-UHFFFAOYSA-N 1 2 371.485 2.127 20 70 FEIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)NCCCCCOC3CCCCC3)C[C@@H]21 ZINC000160253256 546022385 /nfs/dbraw/zinc/02/23/85/546022385.db2.gz MQKFRHYISAOQCK-ZWKOTPCHSA-N 1 2 353.507 2.230 20 70 FEIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)NCCCCCOC3CCCCC3)C[C@@H]21 ZINC000160253256 546022392 /nfs/dbraw/zinc/02/23/92/546022392.db2.gz MQKFRHYISAOQCK-ZWKOTPCHSA-N 1 2 353.507 2.230 20 70 FEIDLO O=C(Nc1nnc(C(F)(F)F)s1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160353946 546032813 /nfs/dbraw/zinc/03/28/13/546032813.db2.gz ZFRYEPXAHNEMMA-QMMMGPOBSA-N 1 2 358.349 2.352 20 70 FEIDLO CCO[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C12CCC2 ZINC000160376286 546034910 /nfs/dbraw/zinc/03/49/10/546034910.db2.gz BAAQWIJEPLBTCV-ROUUACIJSA-N 1 2 358.486 2.257 20 70 FEIDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380829 546035506 /nfs/dbraw/zinc/03/55/06/546035506.db2.gz XLAOMEDSPPNROL-DOTOQJQBSA-N 1 2 357.454 2.313 20 70 FEIDLO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000160380829 546035510 /nfs/dbraw/zinc/03/55/10/546035510.db2.gz XLAOMEDSPPNROL-DOTOQJQBSA-N 1 2 357.454 2.313 20 70 FEIDLO CNC(=O)COc1cccc(CC(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000160658518 546059846 /nfs/dbraw/zinc/05/98/46/546059846.db2.gz RQLDXTUUJCNGHI-UHFFFAOYSA-N 1 2 364.405 2.178 20 70 FEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000161024791 546094247 /nfs/dbraw/zinc/09/42/47/546094247.db2.gz YIXCBWSHVWUIEM-HNNXBMFYSA-N 1 2 358.360 2.408 20 70 FEIDLO C[C@@H](C(=O)N1CCc2ccccc21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161180326 546106955 /nfs/dbraw/zinc/10/69/55/546106955.db2.gz UWOAQBIGBATTLX-KRWDZBQOSA-N 1 2 350.466 2.177 20 70 FEIDLO COc1cccc(NC(=O)[C@H]([NH2+][C@H]2CCN(C)C2=O)c2ccccc2)c1 ZINC000161273659 546116334 /nfs/dbraw/zinc/11/63/34/546116334.db2.gz VBXIKIVXBQKVEY-ZWKOTPCHSA-N 1 2 353.422 2.195 20 70 FEIDLO CCCC[C@H](NC(=O)NCC)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000159478910 326932882 /nfs/dbraw/zinc/93/28/82/326932882.db2.gz ZOTDOXGAPXOMOK-HOTGVXAUSA-N 1 2 363.506 2.079 20 70 FEIDLO Cc1ccc(F)c(OCC(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)c1 ZINC000160284383 326960311 /nfs/dbraw/zinc/96/03/11/326960311.db2.gz ZTORYBMLQGBVKK-UHFFFAOYSA-N 1 2 350.394 2.009 20 70 FEIDLO CCO[C@@H]1C[C@@H](N(C)C(=O)NCC(C)(C)[NH+]2CCOCC2)C12CCC2 ZINC000160710117 326974504 /nfs/dbraw/zinc/97/45/04/326974504.db2.gz NFDYEABWCGOMOT-HZPDHXFCSA-N 1 2 353.507 2.086 20 70 FEIDLO Cc1ccc(NC(=O)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cn1 ZINC000160767410 326976521 /nfs/dbraw/zinc/97/65/21/326976521.db2.gz NQHQOEVQVDQWOG-UHFFFAOYSA-N 1 2 353.426 2.030 20 70 FEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)n1 ZINC000160983194 326984102 /nfs/dbraw/zinc/98/41/02/326984102.db2.gz IGFNMSVAEQKJIU-UHFFFAOYSA-N 1 2 361.490 2.341 20 70 FEIDLO CCOCCC1(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161112761 326988394 /nfs/dbraw/zinc/98/83/94/326988394.db2.gz VXBQPLRHQOSACO-DLBZAZTESA-N 1 2 355.523 2.382 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000161276718 326994342 /nfs/dbraw/zinc/99/43/42/326994342.db2.gz FZZRJVQTHVQMRZ-RDJZCZTQSA-N 1 2 354.385 2.109 20 70 FEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-c2ccco2)[nH]c1=O ZINC000161432202 326999223 /nfs/dbraw/zinc/99/92/23/326999223.db2.gz XPIUEPHADODSMN-ZDUSSCGKSA-N 1 2 350.378 2.039 20 70 FEIDLO CC(C)C[C@@H](CNC(=O)c1csc([C@@H]2CCCO2)n1)[NH+]1CCOCC1 ZINC000161500065 327001212 /nfs/dbraw/zinc/00/12/12/327001212.db2.gz WBOOSAUTOODBNM-HOCLYGCPSA-N 1 2 367.515 2.471 20 70 FEIDLO CN(CCc1ccccc1)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000159395268 545949650 /nfs/dbraw/zinc/94/96/50/545949650.db2.gz BTMWBAXHCMDKQI-UHFFFAOYSA-N 1 2 374.506 2.337 20 70 FEIDLO COC(=O)C1([N@H+](C)CC(=O)NCCc2c(F)cccc2F)CCCC1 ZINC000159482168 545957263 /nfs/dbraw/zinc/95/72/63/545957263.db2.gz TYDCDVWASRGLJT-UHFFFAOYSA-N 1 2 354.397 2.041 20 70 FEIDLO COC(=O)C1([N@@H+](C)CC(=O)NCCc2c(F)cccc2F)CCCC1 ZINC000159482168 545957269 /nfs/dbraw/zinc/95/72/69/545957269.db2.gz TYDCDVWASRGLJT-UHFFFAOYSA-N 1 2 354.397 2.041 20 70 FEIDLO CCC[C@](C)(O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000159496741 545958548 /nfs/dbraw/zinc/95/85/48/545958548.db2.gz ZACXVBCSKSPGEK-SFHVURJKSA-N 1 2 353.894 2.129 20 70 FEIDLO CCS(=O)(=O)c1ccc2oc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)nc2c1 ZINC000159504321 545959429 /nfs/dbraw/zinc/95/94/29/545959429.db2.gz FNQQQCNNWNZIHY-DOMZBBRYSA-N 1 2 352.456 2.214 20 70 FEIDLO CCS(=O)(=O)c1ccc2oc(C[N@@H+](C)C[C@H]3CCC[C@@H]3O)nc2c1 ZINC000159504321 545959434 /nfs/dbraw/zinc/95/94/34/545959434.db2.gz FNQQQCNNWNZIHY-DOMZBBRYSA-N 1 2 352.456 2.214 20 70 FEIDLO COc1ccccc1C[NH+]1CCN(C(=O)NCCc2cscn2)CC1 ZINC000159511148 545959569 /nfs/dbraw/zinc/95/95/69/545959569.db2.gz MIKMXISILHYPOY-UHFFFAOYSA-N 1 2 360.483 2.222 20 70 FEIDLO COc1ccccc1[C@H](C)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159778989 545979217 /nfs/dbraw/zinc/97/92/17/545979217.db2.gz QTXDYCRAUIDMCE-HNNXBMFYSA-N 1 2 352.500 2.280 20 70 FEIDLO CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159796638 545980352 /nfs/dbraw/zinc/98/03/52/545980352.db2.gz DPQWJVXCTYLEMB-RCCFBDPRSA-N 1 2 355.523 2.380 20 70 FEIDLO COCc1cc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)ccc1F ZINC000160103854 546007983 /nfs/dbraw/zinc/00/79/83/546007983.db2.gz TUSXIMIMIJKNAE-UHFFFAOYSA-N 1 2 372.444 2.395 20 70 FEIDLO C[C@@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[NH+]1CCN(C)CC1 ZINC000160157048 546012657 /nfs/dbraw/zinc/01/26/57/546012657.db2.gz PUGVOXJVKDECEZ-KBPBESRZSA-N 1 2 368.319 2.305 20 70 FEIDLO CN(C)c1[nH+]cccc1CNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160411686 546038613 /nfs/dbraw/zinc/03/86/13/546038613.db2.gz CZXWBQZHBMYHIL-UHFFFAOYSA-N 1 2 350.422 2.238 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC(=O)NC1CCCC1 ZINC000160512790 546048236 /nfs/dbraw/zinc/04/82/36/546048236.db2.gz PMQKCXGOHWXNPA-UHFFFAOYSA-N 1 2 360.458 2.004 20 70 FEIDLO COc1ccccc1C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160585630 546054344 /nfs/dbraw/zinc/05/43/44/546054344.db2.gz HQUMKQPOCQXXBS-UYAOXDASSA-N 1 2 373.497 2.480 20 70 FEIDLO COC(=O)c1ccc(F)c(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160765927 546070317 /nfs/dbraw/zinc/07/03/17/546070317.db2.gz LJHVMDVDHJWCHS-CYBMUJFWSA-N 1 2 358.373 2.408 20 70 FEIDLO Cc1cccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000160997338 546091255 /nfs/dbraw/zinc/09/12/55/546091255.db2.gz XMLFINPIMDLWMJ-GOSISDBHSA-N 1 2 354.454 2.208 20 70 FEIDLO CCOc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161151743 546104871 /nfs/dbraw/zinc/10/48/71/546104871.db2.gz HNMKRUVEVPXVNY-UHFFFAOYSA-N 1 2 354.454 2.237 20 70 FEIDLO COC(=O)c1cccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000161223217 546111909 /nfs/dbraw/zinc/11/19/09/546111909.db2.gz WFQVRCRJHQOZQK-HNNXBMFYSA-N 1 2 356.426 2.084 20 70 FEIDLO COC(=O)c1cccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000161223217 546111913 /nfs/dbraw/zinc/11/19/13/546111913.db2.gz WFQVRCRJHQOZQK-HNNXBMFYSA-N 1 2 356.426 2.084 20 70 FEIDLO Cc1cccc(OCCNC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161369024 546123810 /nfs/dbraw/zinc/12/38/10/546123810.db2.gz ONSWBHJMEDJNFI-QGZVFWFLSA-N 1 2 374.403 2.125 20 70 FEIDLO O=S(=O)(Cc1ccccc1Cl)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000218102262 548685534 /nfs/dbraw/zinc/68/55/34/548685534.db2.gz XDPAXUOWEKDZRM-AWEZNQCLSA-N 1 2 351.859 2.433 20 70 FEIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccc(N2CCCCC2)nc1 ZINC000160017951 326950600 /nfs/dbraw/zinc/95/06/00/326950600.db2.gz HMZDKFGQIQIJSE-UHFFFAOYSA-N 1 2 364.515 2.076 20 70 FEIDLO C[C@H](CNC(=O)[C@H]1CCC(=O)C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000160046412 326951534 /nfs/dbraw/zinc/95/15/34/326951534.db2.gz YHQJOKDHZVELCZ-HLIPFELVSA-N 1 2 357.498 2.319 20 70 FEIDLO COc1ccc([C@@H](NC(=O)N2CCC[C@](C)(O)C2)c2[nH+]ccn2C)cc1 ZINC000160054729 326951708 /nfs/dbraw/zinc/95/17/08/326951708.db2.gz IJINNMLXYZMGBJ-APWZRJJASA-N 1 2 358.442 2.075 20 70 FEIDLO COc1ccccc1[C@@H](NC(=O)N1CCC[C@](C)(O)C1)c1[nH+]ccn1C ZINC000160047757 326951730 /nfs/dbraw/zinc/95/17/30/326951730.db2.gz IRPOFRVGZVWIEM-APWZRJJASA-N 1 2 358.442 2.075 20 70 FEIDLO CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)c1ccsc1 ZINC000160215019 326957692 /nfs/dbraw/zinc/95/76/92/326957692.db2.gz LNEJMXSQJGZZGI-CABCVRRESA-N 1 2 373.544 2.007 20 70 FEIDLO CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160945662 326982815 /nfs/dbraw/zinc/98/28/15/326982815.db2.gz BRFSCTVDPPXCIH-MRXNPFEDSA-N 1 2 353.426 2.232 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000161015973 326985004 /nfs/dbraw/zinc/98/50/04/326985004.db2.gz POJRFNPQGFYZDM-GDBMZVCRSA-N 1 2 374.485 2.202 20 70 FEIDLO CCOCCC1(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161112832 326988366 /nfs/dbraw/zinc/98/83/66/326988366.db2.gz VXBQPLRHQOSACO-IAGOWNOFSA-N 1 2 355.523 2.382 20 70 FEIDLO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc2[nH]c(=O)oc21 ZINC000161153306 326990011 /nfs/dbraw/zinc/99/00/11/326990011.db2.gz FWEDLLRAQMYYFW-UHFFFAOYSA-N 1 2 352.325 2.376 20 70 FEIDLO C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161465856 327000219 /nfs/dbraw/zinc/00/02/19/327000219.db2.gz FGZREBGUGNJZOC-BXUZGUMPSA-N 1 2 355.364 2.359 20 70 FEIDLO Cc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)c(Br)n1 ZINC000161464329 327000254 /nfs/dbraw/zinc/00/02/54/327000254.db2.gz WDKOWOCXKMSKDK-CQSZACIVSA-N 1 2 370.291 2.239 20 70 FEIDLO CSc1cc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1F ZINC000161478751 327000785 /nfs/dbraw/zinc/00/07/85/327000785.db2.gz YDQAZGPXCUIMSM-QGZVFWFLSA-N 1 2 370.515 2.485 20 70 FEIDLO O=C(NCC[NH+]1CCOCC1)N[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000161506922 327001261 /nfs/dbraw/zinc/00/12/61/327001261.db2.gz NIJVIJNAOFESHT-CYBMUJFWSA-N 1 2 367.318 2.200 20 70 FEIDLO CC[C@H](NC(=O)c1[nH]nc2c1CCC2)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159633861 545968086 /nfs/dbraw/zinc/96/80/86/545968086.db2.gz GKBNMZRQYBDIAV-PKOBYXMFSA-N 1 2 368.481 2.308 20 70 FEIDLO CC[C@H](NC(=O)c1[nH]nc2c1CCC2)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159633861 545968089 /nfs/dbraw/zinc/96/80/89/545968089.db2.gz GKBNMZRQYBDIAV-PKOBYXMFSA-N 1 2 368.481 2.308 20 70 FEIDLO O=C(CCC(=O)NC1CCCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000159670220 545971964 /nfs/dbraw/zinc/97/19/64/545971964.db2.gz KRHKTECGFRACJP-UHFFFAOYSA-N 1 2 359.470 2.296 20 70 FEIDLO c1cn(CCSc2nnc(N3CCOCC3)n2Cc2ccccc2)c[nH+]1 ZINC000159739916 545976640 /nfs/dbraw/zinc/97/66/40/545976640.db2.gz ZVOJQUAOYSARLD-UHFFFAOYSA-N 1 2 370.482 2.152 20 70 FEIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2scnc2C)CC1 ZINC000159895162 545989524 /nfs/dbraw/zinc/98/95/24/545989524.db2.gz QMLGQVCHTLFEBY-ZDUSSCGKSA-N 1 2 353.488 2.378 20 70 FEIDLO CC(C)Oc1cccc(CNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159899327 545990937 /nfs/dbraw/zinc/99/09/37/545990937.db2.gz YYPLXRILSSKCOC-UHFFFAOYSA-N 1 2 352.500 2.155 20 70 FEIDLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160391054 546036368 /nfs/dbraw/zinc/03/63/68/546036368.db2.gz GACQJDWFCAGPNJ-OAHLLOKOSA-N 1 2 359.470 2.264 20 70 FEIDLO CC(C)(C)C(=O)Nc1ccccc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160391054 546036370 /nfs/dbraw/zinc/03/63/70/546036370.db2.gz GACQJDWFCAGPNJ-OAHLLOKOSA-N 1 2 359.470 2.264 20 70 FEIDLO c1ccc(COc2ccnc(N3CCC[C@@H]3C[NH+]3CCOCC3)n2)cc1 ZINC000160417629 546038987 /nfs/dbraw/zinc/03/89/87/546038987.db2.gz PIYUJTHXYSJFQL-GOSISDBHSA-N 1 2 354.454 2.357 20 70 FEIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1CC ZINC000160431800 546040940 /nfs/dbraw/zinc/04/09/40/546040940.db2.gz QNNZRBTVIMSBKP-HNNXBMFYSA-N 1 2 358.446 2.055 20 70 FEIDLO CCCC[N@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000160768815 546070068 /nfs/dbraw/zinc/07/00/68/546070068.db2.gz HKQZHEVMWFPMHY-KRWDZBQOSA-N 1 2 351.516 2.471 20 70 FEIDLO CCCC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 ZINC000160768815 546070074 /nfs/dbraw/zinc/07/00/74/546070074.db2.gz HKQZHEVMWFPMHY-KRWDZBQOSA-N 1 2 351.516 2.471 20 70 FEIDLO CC(C)CC(=O)NCCC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000160778014 546071494 /nfs/dbraw/zinc/07/14/94/546071494.db2.gz GGGMZEXAIVULMX-UHFFFAOYSA-N 1 2 360.502 2.487 20 70 FEIDLO Cc1[nH+]cc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)n1-c1ccccc1 ZINC000161000718 546091567 /nfs/dbraw/zinc/09/15/67/546091567.db2.gz AECINXWAQMFKFP-IBGZPJMESA-N 1 2 354.454 2.004 20 70 FEIDLO CCOC(=O)c1ccsc1NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161061614 546097004 /nfs/dbraw/zinc/09/70/04/546097004.db2.gz SIUJAUGZYQANIC-FZKQIMNGSA-N 1 2 366.483 2.490 20 70 FEIDLO CCOC(=O)c1ccsc1NC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161061614 546097009 /nfs/dbraw/zinc/09/70/09/546097009.db2.gz SIUJAUGZYQANIC-FZKQIMNGSA-N 1 2 366.483 2.490 20 70 FEIDLO C[C@@H](NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000161181697 546106691 /nfs/dbraw/zinc/10/66/91/546106691.db2.gz KJEICUJBCZOYAC-QZTJIDSGSA-N 1 2 352.482 2.465 20 70 FEIDLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1)c1ccccc1 ZINC000161181697 546106695 /nfs/dbraw/zinc/10/66/95/546106695.db2.gz KJEICUJBCZOYAC-QZTJIDSGSA-N 1 2 352.482 2.465 20 70 FEIDLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161212807 546110240 /nfs/dbraw/zinc/11/02/40/546110240.db2.gz KWROQKSDTQFUNX-XHDPSFHLSA-N 1 2 362.367 2.466 20 70 FEIDLO CCCNC(=O)c1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161288386 546116606 /nfs/dbraw/zinc/11/66/06/546116606.db2.gz STLOWAFTBRLWNV-KRWDZBQOSA-N 1 2 352.438 2.230 20 70 FEIDLO CCN(CC)C(=O)Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159669679 326938569 /nfs/dbraw/zinc/93/85/69/326938569.db2.gz MJAYEKQUPYJDBE-MRXNPFEDSA-N 1 2 354.454 2.495 20 70 FEIDLO O=C(N[C@H]1CCCC[C@@H]1n1cccn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160533511 326968817 /nfs/dbraw/zinc/96/88/17/326968817.db2.gz NANVZGCTLNTEBN-OALUTQOASA-N 1 2 368.485 2.289 20 70 FEIDLO O=C(NC[C@](O)(c1ccccc1)C(F)(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161142408 326989472 /nfs/dbraw/zinc/98/94/72/326989472.db2.gz BYHCRCREMOEOKR-WBMJQRKESA-N 1 2 353.344 2.012 20 70 FEIDLO C[C@@H](CNC(=O)NCCNc1ccc2ccccc2[nH+]1)Cn1cccn1 ZINC000161162519 326990265 /nfs/dbraw/zinc/99/02/65/326990265.db2.gz GVFDRRGHHMCKHO-HNNXBMFYSA-N 1 2 352.442 2.479 20 70 FEIDLO Cn1cnc(-c2ccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)n1 ZINC000161215675 326991847 /nfs/dbraw/zinc/99/18/47/326991847.db2.gz TVCRVTOMNCKMHX-INIZCTEOSA-N 1 2 363.425 2.278 20 70 FEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000161425610 326999063 /nfs/dbraw/zinc/99/90/63/326999063.db2.gz IKQWEPQOJPQLGC-OAHLLOKOSA-N 1 2 352.394 2.047 20 70 FEIDLO C[C@H](CS(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000159430782 545953176 /nfs/dbraw/zinc/95/31/76/545953176.db2.gz PYDNLDZKYXBZIB-QGZVFWFLSA-N 1 2 368.543 2.410 20 70 FEIDLO CCCCSCCC(=O)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000159457463 545955512 /nfs/dbraw/zinc/95/55/12/545955512.db2.gz DVYBCPFGYICINA-KRWDZBQOSA-N 1 2 369.575 2.455 20 70 FEIDLO O=C(NCCc1cscn1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159463301 545956262 /nfs/dbraw/zinc/95/62/62/545956262.db2.gz JQNILVNJSQACGU-UHFFFAOYSA-N 1 2 360.483 2.092 20 70 FEIDLO CC(C)c1nc(N(C)C[C@@H](O)COCc2ccccc2)nc(N(C)C)[nH+]1 ZINC000159708701 545974397 /nfs/dbraw/zinc/97/43/97/545974397.db2.gz HUZJADTZSPUNMA-MRXNPFEDSA-N 1 2 359.474 2.075 20 70 FEIDLO CC(C)c1nc(N(C)C)nc(N(C)C[C@@H](O)COCc2ccccc2)[nH+]1 ZINC000159708701 545974399 /nfs/dbraw/zinc/97/43/99/545974399.db2.gz HUZJADTZSPUNMA-MRXNPFEDSA-N 1 2 359.474 2.075 20 70 FEIDLO Cc1cccc([C@H](CNC(=O)N(C[C@@H](C)O)C(C)C)[NH+]2CCOCC2)c1 ZINC000160219111 546018782 /nfs/dbraw/zinc/01/87/82/546018782.db2.gz HXAHAXHOKJNYTC-MJGOQNOKSA-N 1 2 363.502 2.169 20 70 FEIDLO Cc1cccc([C@H](CNC(=O)N(C[C@H](C)O)C(C)C)[NH+]2CCOCC2)c1 ZINC000160219389 546019322 /nfs/dbraw/zinc/01/93/22/546019322.db2.gz HXAHAXHOKJNYTC-HKUYNNGSSA-N 1 2 363.502 2.169 20 70 FEIDLO CCc1c(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)[nH]c(C)c1C(N)=O ZINC000160449622 546042665 /nfs/dbraw/zinc/04/26/65/546042665.db2.gz MTAJMPHSVSNIJS-UHFFFAOYSA-N 1 2 359.817 2.216 20 70 FEIDLO C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000160512668 546047869 /nfs/dbraw/zinc/04/78/69/546047869.db2.gz VVVUQFGTESCGCC-ZDUSSCGKSA-N 1 2 355.276 2.343 20 70 FEIDLO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000160659090 546060412 /nfs/dbraw/zinc/06/04/12/546060412.db2.gz MUIADTKCUQZLSS-UHFFFAOYSA-N 1 2 372.400 2.271 20 70 FEIDLO C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)CC1(C)OCCO1 ZINC000160677400 546063028 /nfs/dbraw/zinc/06/30/28/546063028.db2.gz DAPRKNMPWWRFSQ-HNNXBMFYSA-N 1 2 362.474 2.139 20 70 FEIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000160687986 546063326 /nfs/dbraw/zinc/06/33/26/546063326.db2.gz HFCQUOUQHAIWBS-UHFFFAOYSA-N 1 2 367.449 2.232 20 70 FEIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000160687986 546063332 /nfs/dbraw/zinc/06/33/32/546063332.db2.gz HFCQUOUQHAIWBS-UHFFFAOYSA-N 1 2 367.449 2.232 20 70 FEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000160989964 546091658 /nfs/dbraw/zinc/09/16/58/546091658.db2.gz UPKFEIJAJALEBK-PBHICJAKSA-N 1 2 374.485 2.202 20 70 FEIDLO C[NH+](C)Cc1nc(C(C)(C)NC(=O)COc2ccc3c(c2)CCCC3)no1 ZINC000160284532 326960176 /nfs/dbraw/zinc/96/01/76/326960176.db2.gz UHPMPGLYINKPLA-UHFFFAOYSA-N 1 2 372.469 2.440 20 70 FEIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)s1 ZINC000159586716 545965568 /nfs/dbraw/zinc/96/55/68/545965568.db2.gz XYPQGQFDGMUXSI-UHFFFAOYSA-N 1 2 351.497 2.212 20 70 FEIDLO Cc1[nH+]c2cc(C)ccn2c1CN1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000160109600 546007823 /nfs/dbraw/zinc/00/78/23/546007823.db2.gz MTQAFJWVIBYISK-SFHVURJKSA-N 1 2 356.470 2.164 20 70 FEIDLO Cc1nc2cc(C)ccn2c1C[NH+]1CCN(C(=O)[C@@H]2CCCCO2)CC1 ZINC000160109600 546007828 /nfs/dbraw/zinc/00/78/28/546007828.db2.gz MTQAFJWVIBYISK-SFHVURJKSA-N 1 2 356.470 2.164 20 70 FEIDLO Cn1nc(Br)c2c1nc[nH+]c2N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000160400649 546037182 /nfs/dbraw/zinc/03/71/82/546037182.db2.gz NHZDLALXLIUENU-ZJUUUORDSA-N 1 2 352.236 2.495 20 70 FEIDLO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000160721961 546065528 /nfs/dbraw/zinc/06/55/28/546065528.db2.gz XHGYYFCKIAKWKV-ZDUSSCGKSA-N 1 2 362.451 2.343 20 70 FEIDLO CN(C1CCCCC1)S(=O)(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000160780945 546070905 /nfs/dbraw/zinc/07/09/05/546070905.db2.gz KAWJZTJQIQTWIE-UHFFFAOYSA-N 1 2 367.515 2.019 20 70 FEIDLO C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161174985 546106658 /nfs/dbraw/zinc/10/66/58/546106658.db2.gz ZPXDTKWMNFJYKD-SFHVURJKSA-N 1 2 352.482 2.246 20 70 FEIDLO C[C@@H](C(=O)N(C)Cc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161174985 546106663 /nfs/dbraw/zinc/10/66/63/546106663.db2.gz ZPXDTKWMNFJYKD-SFHVURJKSA-N 1 2 352.482 2.246 20 70 FEIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000161200587 546109542 /nfs/dbraw/zinc/10/95/42/546109542.db2.gz WYFAPVOODVMBPZ-HOCLYGCPSA-N 1 2 369.531 2.218 20 70 FEIDLO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161292954 546116976 /nfs/dbraw/zinc/11/69/76/546116976.db2.gz ZIWLICIBGPAQBG-ZWNOBZJWSA-N 1 2 350.406 2.388 20 70 FEIDLO O=S(=O)(Cc1ccccc1Cl)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000218102164 548685306 /nfs/dbraw/zinc/68/53/06/548685306.db2.gz XDPAXUOWEKDZRM-CQSZACIVSA-N 1 2 351.859 2.433 20 70 FEIDLO Cc1ccc2cc(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)ccc2n1 ZINC000159629473 326937394 /nfs/dbraw/zinc/93/73/94/326937394.db2.gz NWROTRWXNKTDHY-FQEVSTJZSA-N 1 2 371.506 2.481 20 70 FEIDLO C[C@@H]1CCN(C(=O)Nc2ccnn2C[C@@H]2CCOC2)C[C@@H]1n1cc[nH+]c1 ZINC000159910903 326946398 /nfs/dbraw/zinc/94/63/98/326946398.db2.gz IKCQUEMEDCMUNL-PMPSAXMXSA-N 1 2 358.446 2.231 20 70 FEIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCC1=CCCC1 ZINC000160125996 326954114 /nfs/dbraw/zinc/95/41/14/326954114.db2.gz HYERQGKSJSJITA-UHFFFAOYSA-N 1 2 350.484 2.252 20 70 FEIDLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cc(Cl)ccn1 ZINC000161166670 326990212 /nfs/dbraw/zinc/99/02/12/326990212.db2.gz WZVFYDHMDKNQDS-UHFFFAOYSA-N 1 2 373.844 2.198 20 70 FEIDLO COc1ccc2c(c1)C=C(C(=O)N[C@@H]1CCN(c3cccc[nH+]3)C1)CO2 ZINC000161276287 326994313 /nfs/dbraw/zinc/99/43/13/326994313.db2.gz NYIKMLSEAGECNK-MRXNPFEDSA-N 1 2 351.406 2.261 20 70 FEIDLO Cc1ccsc1CNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161446275 326999755 /nfs/dbraw/zinc/99/97/55/326999755.db2.gz DXBZMPMVCASASN-AWEZNQCLSA-N 1 2 350.406 2.308 20 70 FEIDLO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159443348 545954268 /nfs/dbraw/zinc/95/42/68/545954268.db2.gz XEVJSTSSQPTIPY-LNLFQRSKSA-N 1 2 361.438 2.152 20 70 FEIDLO Cc1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000159443348 545954274 /nfs/dbraw/zinc/95/42/74/545954274.db2.gz XEVJSTSSQPTIPY-LNLFQRSKSA-N 1 2 361.438 2.152 20 70 FEIDLO CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000159455802 545955252 /nfs/dbraw/zinc/95/52/52/545955252.db2.gz ZMUDBWTXTYVNIM-BZSNNMDCSA-N 1 2 368.485 2.359 20 70 FEIDLO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159632367 545968789 /nfs/dbraw/zinc/96/87/89/545968789.db2.gz SVFNBHCNMXZKRZ-HERUPUMHSA-N 1 2 359.239 2.207 20 70 FEIDLO C[N@@H+](C[C@@H]1CCC[C@@H]1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159632367 545968795 /nfs/dbraw/zinc/96/87/95/545968795.db2.gz SVFNBHCNMXZKRZ-HERUPUMHSA-N 1 2 359.239 2.207 20 70 FEIDLO Cn1cnc2cc(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)cnc21 ZINC000159726277 545975292 /nfs/dbraw/zinc/97/52/92/545975292.db2.gz OYAZMZWDDWIZJA-UHFFFAOYSA-N 1 2 362.393 2.496 20 70 FEIDLO CCc1noc(C)c1NC(=O)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000159992249 545997938 /nfs/dbraw/zinc/99/79/38/545997938.db2.gz PJERTRKAABVDQG-UHFFFAOYSA-N 1 2 369.425 2.349 20 70 FEIDLO CCn1cc(C[N@H+](CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)cn1 ZINC000160220908 546018914 /nfs/dbraw/zinc/01/89/14/546018914.db2.gz AKDQFVMJQMBCSB-UHFFFAOYSA-N 1 2 371.485 2.200 20 70 FEIDLO CCn1cc(C[N@@H+](CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)cn1 ZINC000160220908 546018918 /nfs/dbraw/zinc/01/89/18/546018918.db2.gz AKDQFVMJQMBCSB-UHFFFAOYSA-N 1 2 371.485 2.200 20 70 FEIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)NCCCCCOC3CCCCC3)C[C@@H]21 ZINC000160253101 546023277 /nfs/dbraw/zinc/02/32/77/546023277.db2.gz MQKFRHYISAOQCK-ROUUACIJSA-N 1 2 353.507 2.230 20 70 FEIDLO C[N@H+]1CCO[C@H]2CN(C(=O)NCCCCCOC3CCCCC3)C[C@@H]21 ZINC000160253101 546023281 /nfs/dbraw/zinc/02/32/81/546023281.db2.gz MQKFRHYISAOQCK-ROUUACIJSA-N 1 2 353.507 2.230 20 70 FEIDLO COCCC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160534014 546050515 /nfs/dbraw/zinc/05/05/15/546050515.db2.gz CICZJJUUHAZCEV-KRWDZBQOSA-N 1 2 353.484 2.093 20 70 FEIDLO COCCC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160534014 546050516 /nfs/dbraw/zinc/05/05/16/546050516.db2.gz CICZJJUUHAZCEV-KRWDZBQOSA-N 1 2 353.484 2.093 20 70 FEIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(C)cc(Cl)cc1C ZINC000160591572 546054745 /nfs/dbraw/zinc/05/47/45/546054745.db2.gz UNEZVIGDYGULTQ-OAHLLOKOSA-N 1 2 372.918 2.082 20 70 FEIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(C)cc(Cl)cc1C ZINC000160591572 546054751 /nfs/dbraw/zinc/05/47/51/546054751.db2.gz UNEZVIGDYGULTQ-OAHLLOKOSA-N 1 2 372.918 2.082 20 70 FEIDLO COc1ccccc1[C@@H](NC(=O)N(C)CC[NH+]1CCOCC1)c1ccco1 ZINC000160720012 546066357 /nfs/dbraw/zinc/06/63/57/546066357.db2.gz VXQDGLCFLNBXRM-LJQANCHMSA-N 1 2 373.453 2.351 20 70 FEIDLO Cc1c2cc(C)ccc2[nH]c1C(=O)N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000160884265 546081216 /nfs/dbraw/zinc/08/12/16/546081216.db2.gz WDLXEPWNGFHAJW-OAHLLOKOSA-N 1 2 368.481 2.210 20 70 FEIDLO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160958129 546087581 /nfs/dbraw/zinc/08/75/81/546087581.db2.gz CQLSMUAJSFTMNQ-QRVBRYPASA-N 1 2 370.497 2.257 20 70 FEIDLO NC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000161161647 546105705 /nfs/dbraw/zinc/10/57/05/546105705.db2.gz IHMXYCPNLBNEBK-CYBMUJFWSA-N 1 2 357.389 2.110 20 70 FEIDLO C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161276320 546116414 /nfs/dbraw/zinc/11/64/14/546116414.db2.gz KGUPNTIUUDIEBX-IAQYHMDHSA-N 1 2 362.367 2.466 20 70 FEIDLO Cc1cc(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)ccc1C(N)=O ZINC000161342625 546121402 /nfs/dbraw/zinc/12/14/02/546121402.db2.gz MWBFSXJXNPVSMA-HNNXBMFYSA-N 1 2 353.426 2.279 20 70 FEIDLO CC(C)(C)OC(=O)N1CCC2(C[C@H]2C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000161360394 546123691 /nfs/dbraw/zinc/12/36/91/546123691.db2.gz CHYUVMULQPKZIK-HNNXBMFYSA-N 1 2 362.474 2.427 20 70 FEIDLO