smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@H+](CC2CCCCC2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120627 210227017 /nfs/dbraw/zinc/22/70/17/210227017.db2.gz STOCVJGYOJDSQH-ZJSXRUAMSA-N 1 0 398.547 4.632 40 0 GJABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+](C[C@@H](C)c4ccccc4)C3)cc2n1 ZINC000019117063 210226100 /nfs/dbraw/zinc/22/61/00/210226100.db2.gz ZPDKWPRAMQISSF-RHSMWYFYSA-N 1 0 388.437 4.650 40 0 GJABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306135689 212051551 /nfs/dbraw/zinc/05/15/51/212051551.db2.gz OXXDVTNPSCWADQ-GOSISDBHSA-N 1 0 376.435 4.508 40 0 GJABRO CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289058 204148755 /nfs/dbraw/zinc/14/87/55/204148755.db2.gz CDLIFSLWWPCFIG-SEJPIABJSA-N 1 0 379.573 4.731 40 0 GJABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 ZINC000035290522 204152802 /nfs/dbraw/zinc/15/28/02/204152802.db2.gz AYDUUQGPJPCWSS-YQQQUEKLSA-N 1 0 398.934 4.664 40 0 GJABRO CCOc1cc(C[NH2+]CCOC)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254582 209160954 /nfs/dbraw/zinc/16/09/54/209160954.db2.gz DBHHECONLZCRGU-UHFFFAOYSA-N 1 0 384.303 4.707 40 0 GJABRO CCN1CC2(CCC([N@H+](C)CC3=CCCCC3)CC2)Oc2ccccc2C1=O ZINC000257238305 212008259 /nfs/dbraw/zinc/00/82/59/212008259.db2.gz HKKAJDULTAULRW-UHFFFAOYSA-N 1 0 382.548 4.655 40 0 GJABRO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)[nH+]c(C(C)C)n1)CC2 ZINC000329030757 209157788 /nfs/dbraw/zinc/15/77/88/209157788.db2.gz QGFLOQARUYDCKQ-UHFFFAOYSA-N 1 0 396.535 4.534 40 0 GJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019400463 204641411 /nfs/dbraw/zinc/64/14/11/204641411.db2.gz ANZNQKFCIDZDIG-WRALFONMSA-N 1 0 395.591 4.888 40 0 GJABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccccc1F ZINC000022074452 204774633 /nfs/dbraw/zinc/77/46/33/204774633.db2.gz PEGIHYWFVGPCTB-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225520495 211903597 /nfs/dbraw/zinc/90/35/97/211903597.db2.gz WBFQRSJQIQRABG-UHFFFAOYSA-N 1 0 384.495 4.607 40 0 GJABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(OC2CCCC2)cc1 ZINC000225401197 211895818 /nfs/dbraw/zinc/89/58/18/211895818.db2.gz UAVIHAYJUYAJSJ-UHFFFAOYSA-N 1 0 375.582 4.561 40 0 GJABRO CC1(C)CC(N(Cc2ccccn2)Cc2ccc3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000036740503 205021728 /nfs/dbraw/zinc/02/17/28/205021728.db2.gz BEPJXXILXDVVEG-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835022 205038638 /nfs/dbraw/zinc/03/86/38/205038638.db2.gz OFBHPVSDSYDYFY-AWEZNQCLSA-N 1 0 381.278 4.983 40 0 GJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856863 205087479 /nfs/dbraw/zinc/08/74/79/205087479.db2.gz LTRAFLQKUNMKHI-NRFANRHFSA-N 1 0 396.531 4.571 40 0 GJABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044852658 205088199 /nfs/dbraw/zinc/08/81/99/205088199.db2.gz BERLEGULFNFPIK-HXUWFJFHSA-N 1 0 380.532 4.568 40 0 GJABRO Cc1ccc(SCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873410 205088477 /nfs/dbraw/zinc/08/84/77/205088477.db2.gz YGDDMWMNCSPVPJ-UHFFFAOYSA-N 1 0 382.573 4.780 40 0 GJABRO CCCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000222782307 205987561 /nfs/dbraw/zinc/98/75/61/205987561.db2.gz WOEQKKOPNWSXKL-UHFFFAOYSA-N 1 0 390.578 4.669 40 0 GJABRO CCCc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224335160 206019901 /nfs/dbraw/zinc/01/99/01/206019901.db2.gz OFYNIROKHBOXFR-HXUWFJFHSA-N 1 0 394.559 4.680 40 0 GJABRO CCC1C=C2C(c3ccccc3)=CC(=O)O[C@H]2[C@@H](C[NH+]2CCC(C)CC2)C1=O ZINC000028120511 206027294 /nfs/dbraw/zinc/02/72/94/206027294.db2.gz QSKDUZHVPFHIOF-XUZZJYLKSA-N 1 0 379.500 4.506 40 0 GJABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225662607 206063816 /nfs/dbraw/zinc/06/38/16/206063816.db2.gz WNNOTGYNUGVOHG-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225662512 206064802 /nfs/dbraw/zinc/06/48/02/206064802.db2.gz WNNOTGYNUGVOHG-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO O[C@H]1[C@H](Nc2ccccc2Oc2ccccc2)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000257208047 206159983 /nfs/dbraw/zinc/15/99/83/206159983.db2.gz BKLBBIQFKLOMLF-VDKIKQQVSA-N 1 0 388.511 4.963 40 0 GJABRO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1C[NH+]1CCCCC1 ZINC000257217223 206160639 /nfs/dbraw/zinc/16/06/39/206160639.db2.gz CYCQTUZBCVOCSP-HPUHJGTRSA-N 1 0 399.575 4.556 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1ccc(-c2cccc(OC)c2)nc1 ZINC000257265406 206169538 /nfs/dbraw/zinc/16/95/38/206169538.db2.gz LYNOIYJEZKLZLU-HSZRJFAPSA-N 1 0 388.515 4.921 40 0 GJABRO CCOc1c(Br)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1OC ZINC000008253329 211630668 /nfs/dbraw/zinc/63/06/68/211630668.db2.gz JSVUEURWLOLXQI-UHFFFAOYSA-N 1 0 394.353 4.915 40 0 GJABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccco3)CC1)nc2N1CCCC1 ZINC000096099991 211302715 /nfs/dbraw/zinc/30/27/15/211302715.db2.gz JFFMDHSYCMWXFT-UHFFFAOYSA-N 1 0 393.535 4.585 40 0 GJABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccoc3)CC1)nc2N1CCCC1 ZINC000096099992 211301904 /nfs/dbraw/zinc/30/19/04/211301904.db2.gz CTIBSEXDESSTSG-UHFFFAOYSA-N 1 0 393.535 4.585 40 0 GJABRO O=C(OCc1cccc(Cl)c1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000079438705 211156765 /nfs/dbraw/zinc/15/67/65/211156765.db2.gz PBVXAIKUVNEOID-KRWDZBQOSA-N 1 0 378.299 4.949 40 0 GJABRO C[NH+](C)CC[C@@H](c1ccccc1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019719957 210288974 /nfs/dbraw/zinc/28/89/74/210288974.db2.gz IDYNXOPLWQKJNK-QFIPXVFZSA-N 1 0 377.536 4.793 40 0 GJABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C ZINC000019692032 210282147 /nfs/dbraw/zinc/28/21/47/210282147.db2.gz RTLRNADRQNFLRK-DEOSSOPVSA-N 1 0 392.522 4.982 40 0 GJABRO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019690453 210281882 /nfs/dbraw/zinc/28/18/82/210281882.db2.gz VKEBVCPKHRSTFR-OAQYLSRUSA-N 1 0 376.479 4.686 40 0 GJABRO CCCn1nc(C)c(-c2cncn2C[C@@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC000019654610 210277020 /nfs/dbraw/zinc/27/70/20/210277020.db2.gz RORLANLXELQPMY-FQEVSTJZSA-N 1 0 385.943 4.730 40 0 GJABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(n2c3cc(Cl)ccc3oc2=O)CC1 ZINC000072347910 222235687 /nfs/dbraw/zinc/23/56/87/222235687.db2.gz HHNLELTXOJVRAS-UHFFFAOYSA-N 1 0 395.890 4.875 40 0 GJABRO Cc1ccc2occ(C[N@H+](CCCn3ccnc3)C[C@@H]3CC=CCC3)c(=O)c2c1 ZINC000019219769 524099706 /nfs/dbraw/zinc/09/97/06/524099706.db2.gz KAMYGRNFWDDCEJ-HXUWFJFHSA-N 1 0 391.515 4.547 40 0 GJABRO CCOC(=O)c1ccc(NC(=O)C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000408582131 528231241 /nfs/dbraw/zinc/23/12/41/528231241.db2.gz MAZOCOICTMJYLQ-UHFFFAOYSA-N 1 0 386.536 4.769 40 0 GJABRO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320871 560077898 /nfs/dbraw/zinc/07/78/98/560077898.db2.gz YFRUYZUHWJOFME-WFXMLNOXSA-N 1 0 399.554 4.868 40 0 biogenic,in-vitro GJABRO c1cc(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCCCC4)n3)cn2)ccn1 ZINC000049155478 560083881 /nfs/dbraw/zinc/08/38/81/560083881.db2.gz RIJJMRBBPUNKOA-FQEVSTJZSA-N 1 0 375.476 4.663 40 0 biogenic,in-vitro GJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020450313 570256978 /nfs/dbraw/zinc/25/69/78/570256978.db2.gz WCHKNYQSWQMNRM-QGZVFWFLSA-N 1 0 394.515 4.656 40 0 GJABRO C[NH+](C)CCSCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001726174 570267613 /nfs/dbraw/zinc/26/76/13/570267613.db2.gz VBFAXXWSYVHNDV-UHFFFAOYSA-N 1 0 378.950 4.764 40 0 GJABRO CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)c1c[nH]c2ccccc21 ZINC000002580973 570291276 /nfs/dbraw/zinc/29/12/76/570291276.db2.gz KYMMYXGQKBCPRR-JOCHJYFZSA-N 1 0 377.488 4.573 40 0 GJABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216463521 570302007 /nfs/dbraw/zinc/30/20/07/570302007.db2.gz TWYOXYUIWIIMBY-PKOBYXMFSA-N 1 0 383.001 4.982 40 0 GJABRO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccc(F)cc1 ZINC000022074460 570304905 /nfs/dbraw/zinc/30/49/05/570304905.db2.gz MJAAVJFVGVBFGH-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 ZINC000004888143 570415793 /nfs/dbraw/zinc/41/57/93/570415793.db2.gz UMDZBEWZACIENJ-SEJPIABJSA-N 1 0 398.934 4.664 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047948 570425839 /nfs/dbraw/zinc/42/58/39/570425839.db2.gz DSDOVAAVIZFCDR-PEQWJCPASA-N 1 0 381.601 4.501 40 0 GJABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039750395 570447389 /nfs/dbraw/zinc/44/73/89/570447389.db2.gz XYYMQRACDLOQPE-UHFFFAOYSA-N 1 0 396.600 4.565 40 0 GJABRO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1C ZINC000035289091 570453111 /nfs/dbraw/zinc/45/31/11/570453111.db2.gz OUXIEXJJIIGFEV-FRIKZZABSA-N 1 0 379.573 4.785 40 0 GJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035290323 570456884 /nfs/dbraw/zinc/45/68/84/570456884.db2.gz HZPRGEINJCDXIX-IHWFROFDSA-N 1 0 382.935 4.964 40 0 GJABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030850725 570498047 /nfs/dbraw/zinc/49/80/47/570498047.db2.gz FGCKNNNGFULVSJ-MDZRGWNJSA-N 1 0 383.001 4.695 40 0 GJABRO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000006883131 570498290 /nfs/dbraw/zinc/49/82/90/570498290.db2.gz NXZYRGDGXQFKLP-UHFFFAOYSA-N 1 0 398.728 4.542 40 0 GJABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030850711 570498324 /nfs/dbraw/zinc/49/83/24/570498324.db2.gz FGCKNNNGFULVSJ-JTDSTZFVSA-N 1 0 383.001 4.695 40 0 GJABRO CC(C)Oc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000030940310 570501489 /nfs/dbraw/zinc/50/14/89/570501489.db2.gz AHUZJSCLJCATHV-GOSISDBHSA-N 1 0 386.923 4.978 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1CCc1ccccc1 ZINC000224618632 570520905 /nfs/dbraw/zinc/52/09/05/570520905.db2.gz ISGLUPSMAIUCHD-UHFFFAOYSA-N 1 0 398.550 4.998 40 0 GJABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697393 570525394 /nfs/dbraw/zinc/52/53/94/570525394.db2.gz JASBDBVWMKREQH-DEOSSOPVSA-N 1 0 394.559 4.763 40 0 GJABRO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008337036 570528744 /nfs/dbraw/zinc/52/87/44/570528744.db2.gz LBZSWYDOLDHCDW-MRXNPFEDSA-N 1 0 398.728 4.542 40 0 GJABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008373858 570530140 /nfs/dbraw/zinc/53/01/40/570530140.db2.gz FRQFIZCURAUTLP-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3F)c(OC)c2)cc1 ZINC000008474392 570532423 /nfs/dbraw/zinc/53/24/23/570532423.db2.gz VEIIYHQNALJCNZ-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837234 570533385 /nfs/dbraw/zinc/53/33/85/570533385.db2.gz FCYRRCPHDBQUHF-DEOSSOPVSA-N 1 0 394.559 4.763 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224958028 570540010 /nfs/dbraw/zinc/54/00/10/570540010.db2.gz HXUSFOAAXGPATG-UHFFFAOYSA-N 1 0 377.532 4.915 40 0 GJABRO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848585 570586964 /nfs/dbraw/zinc/58/69/64/570586964.db2.gz MWRQPCGCNXHADX-QGZVFWFLSA-N 1 0 377.315 4.522 40 0 GJABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225607509 570593138 /nfs/dbraw/zinc/59/31/38/570593138.db2.gz BZNMRHAHOPRWJI-XXBNENTESA-N 1 0 390.568 4.577 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225622890 570595593 /nfs/dbraw/zinc/59/55/93/570595593.db2.gz BPMYAIRVNHQEGN-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225738619 570611544 /nfs/dbraw/zinc/61/15/44/570611544.db2.gz SEYDJNUIEGQQLF-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044851487 570636145 /nfs/dbraw/zinc/63/61/45/570636145.db2.gz OFFKUVOQABXPAV-HXUWFJFHSA-N 1 0 394.559 4.680 40 0 GJABRO CC1(C)CC(N(Cc2ccccn2)Cc2ccnc3ccccc23)CC(C)(C)[NH2+]1 ZINC000057810497 570703750 /nfs/dbraw/zinc/70/37/50/570703750.db2.gz ZCTGOXSXSMKVRU-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814456 570707788 /nfs/dbraw/zinc/70/77/88/570707788.db2.gz IMMUUUFMRMEUBZ-AUSIDOKSSA-N 1 0 390.568 4.720 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816739 570707837 /nfs/dbraw/zinc/70/78/37/570707837.db2.gz PHJVMOVURMATTA-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816755 570707905 /nfs/dbraw/zinc/70/79/05/570707905.db2.gz PSZQRTNFQCNAJS-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991943 570868930 /nfs/dbraw/zinc/86/89/30/570868930.db2.gz IZIWBPAAHSPDMZ-QGZVFWFLSA-N 1 0 393.458 4.604 40 0 GJABRO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019454626 570925720 /nfs/dbraw/zinc/92/57/20/570925720.db2.gz TYYIDXYYJUXZQL-SFHVURJKSA-N 1 0 397.548 4.519 40 0 GJABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019210325 570960507 /nfs/dbraw/zinc/96/05/07/570960507.db2.gz LLQNTDXASJLBID-YPAWHYETSA-N 1 0 396.600 4.919 40 0 GJABRO Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 ZINC000019235049 570965451 /nfs/dbraw/zinc/96/54/51/570965451.db2.gz QEFKEMMGFCXPQK-YPAWHYETSA-N 1 0 396.600 4.919 40 0 GJABRO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000019454745 570986704 /nfs/dbraw/zinc/98/67/04/570986704.db2.gz STFGYUGOXOIRGT-HSZRJFAPSA-N 1 0 381.495 4.630 40 0 GJABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564341 571006961 /nfs/dbraw/zinc/00/69/61/571006961.db2.gz ZMLZADDVPYSEKB-CQSZACIVSA-N 1 0 375.394 4.988 40 0 GJABRO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cn(C)nc3C)on2)cc1 ZINC000019583840 571014606 /nfs/dbraw/zinc/01/46/06/571014606.db2.gz IRGQQARKYWSAIN-NRFANRHFSA-N 1 0 380.492 4.509 40 0 GJABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1 ZINC000019555686 210260527 /nfs/dbraw/zinc/26/05/27/210260527.db2.gz CMBASWYUTDDPFA-RBUKOAKNSA-N 1 0 383.442 4.739 40 0 GJABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019525787 210256983 /nfs/dbraw/zinc/25/69/83/210256983.db2.gz HJGQSRSVIWCOGO-PLWWPAAYSA-N 1 0 395.547 4.508 40 0 GJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2ccncc2)CC1 ZINC000019522101 210254141 /nfs/dbraw/zinc/25/41/41/210254141.db2.gz XGHHFEWFSDXNAQ-UHFFFAOYSA-N 1 0 390.409 4.579 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000039749177 230927961 /nfs/dbraw/zinc/92/79/61/230927961.db2.gz CJFFPPUMAMFWJX-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO C[C@H](C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019456061 210249931 /nfs/dbraw/zinc/24/99/31/210249931.db2.gz XWNVRXYYQYFAPA-AUSIDOKSSA-N 1 0 393.575 4.801 40 0 GJABRO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019235241 210232398 /nfs/dbraw/zinc/23/23/98/210232398.db2.gz XQPZGVQMZXPHAJ-WXFUMESZSA-N 1 0 380.576 4.744 40 0 GJABRO O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000017447248 210209041 /nfs/dbraw/zinc/20/90/41/210209041.db2.gz LDZRRZVGAVOXFW-UHFFFAOYSA-N 1 0 385.511 4.911 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000008253145 209769119 /nfs/dbraw/zinc/76/91/19/209769119.db2.gz UEXSHOTYNDFLAQ-UHFFFAOYSA-N 1 0 395.902 4.973 40 0 GJABRO CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]Cc3cccnc3)C=C2C)o1 ZINC000035442704 209708714 /nfs/dbraw/zinc/70/87/14/209708714.db2.gz WGWNEXHMUDGHFK-ACRUOGEOSA-N 1 0 382.552 4.604 40 0 biogenic,in-vitro GJABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008300476 291140767 /nfs/dbraw/zinc/14/07/67/291140767.db2.gz WMZGLBPNDYEISB-CMKODMSKSA-N 1 0 379.504 4.721 40 0 biogenic,in-vitro GJABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[N@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000257353592 212029317 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382.511 4.783 40 0 GJABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1 ZINC000006883535 204219831 /nfs/dbraw/zinc/21/98/31/204219831.db2.gz BXJDBAWBVQDWMS-UHFFFAOYSA-N 1 0 378.310 4.782 40 0 GJABRO CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1 ZINC000007539520 204242647 /nfs/dbraw/zinc/24/26/47/204242647.db2.gz XRYWSQATVLROBP-UHFFFAOYSA-N 1 0 377.484 4.963 40 0 GJABRO Cc1c(-c2cncn2C(C)(C)C[NH+]2CCC(C)CC2)cnn1Cc1ccccc1 ZINC000019654452 204666755 /nfs/dbraw/zinc/66/67/55/204666755.db2.gz YJPKMWHHEDAWIJ-UHFFFAOYSA-N 1 0 391.563 4.570 40 0 GJABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(C)cc3)o2)C[C@H]1C(C)C ZINC000030883108 211932649 /nfs/dbraw/zinc/93/26/49/211932649.db2.gz VQERQRGRJPKCGD-FKBYEOEOSA-N 1 0 397.563 4.678 40 0 biogenic,in-vitro GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 ZINC000038833964 205038989 /nfs/dbraw/zinc/03/89/89/205038989.db2.gz RMPAKOIEQZXBLS-OAHLLOKOSA-N 1 0 387.321 4.933 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 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PPJSIOREZGKLBW-DEOSSOPVSA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)s2)cc1 ZINC000224571047 206023351 /nfs/dbraw/zinc/02/33/51/206023351.db2.gz RSFMKGXKGNKAKH-UHFFFAOYSA-N 1 0 392.528 4.752 40 0 GJABRO COc1cc2ccccc2cc1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837969 206029909 /nfs/dbraw/zinc/02/99/09/206029909.db2.gz BUAZWQOMDWDNSJ-UHFFFAOYSA-N 1 0 388.511 4.764 40 0 GJABRO COc1cc(C)c(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000225668380 206065646 /nfs/dbraw/zinc/06/56/46/206065646.db2.gz CUWBNILCVJTWSJ-UHFFFAOYSA-N 1 0 396.531 4.852 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225699365 206066860 /nfs/dbraw/zinc/06/68/60/206066860.db2.gz CNHVBZPHIRPUCK-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO O=C(Nc1nc2ccccc2n1CC[NH+]1CCCCC1)Nc1ccccc1Cl ZINC000032502517 206088351 /nfs/dbraw/zinc/08/83/51/206088351.db2.gz RXQBIHJZVREITK-UHFFFAOYSA-N 1 0 397.910 4.820 40 0 GJABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000096052527 211297150 /nfs/dbraw/zinc/29/71/50/211297150.db2.gz VYJBXBAGTMIPGI-UHFFFAOYSA-N 1 0 388.536 4.829 40 0 GJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000078582373 211147372 /nfs/dbraw/zinc/14/73/72/211147372.db2.gz SBBBJMSHASPKCE-NRFANRHFSA-N 1 0 379.548 4.839 40 0 GJABRO CC(C)c1nccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379079 211108014 /nfs/dbraw/zinc/10/80/14/211108014.db2.gz MZYSYGWIESMKIX-LJQANCHMSA-N 1 0 378.495 4.909 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072356233 211099523 /nfs/dbraw/zinc/09/95/23/211099523.db2.gz JQWMRAXKIMYYOE-QHCPKHFHSA-N 1 0 386.543 4.713 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627722 136187536 /nfs/dbraw/zinc/18/75/36/136187536.db2.gz CTXWOLKSSSAIKI-HXUWFJFHSA-N 1 0 395.522 4.667 40 0 GJABRO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613645 534680372 /nfs/dbraw/zinc/68/03/72/534680372.db2.gz ZFPZBIHMXUNCIZ-RUZDIDTESA-N 1 0 382.507 4.626 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)n1 ZINC000243445739 524057582 /nfs/dbraw/zinc/05/75/82/524057582.db2.gz NELVZAREUPGLQT-UHFFFAOYSA-N 1 0 383.446 4.529 40 0 GJABRO Cc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049155504 560083917 /nfs/dbraw/zinc/08/39/17/560083917.db2.gz YZEAHHDWVZXFLL-QFIPXVFZSA-N 1 0 397.482 4.839 40 0 biogenic,in-vitro GJABRO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)c1 ZINC000005217462 570250406 /nfs/dbraw/zinc/25/04/06/570250406.db2.gz NSRJWEIWAMQCKX-QDSKXPNFSA-N 1 0 399.506 4.711 40 0 GJABRO C[NH+](C)CCCn1c(=O)c2ccccc2nc1-c1ccc(-c2ccccc2)cc1 ZINC000020799203 570281086 /nfs/dbraw/zinc/28/10/86/570281086.db2.gz RPGXMLBWERFJID-UHFFFAOYSA-N 1 0 383.495 4.682 40 0 GJABRO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCc1ccccc1F ZINC000022074457 570304868 /nfs/dbraw/zinc/30/48/68/570304868.db2.gz DTBFUWUZGCLHQV-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076357 570320831 /nfs/dbraw/zinc/32/08/31/570320831.db2.gz MTZMEPSUWXUKKI-GAJHUEQPSA-N 1 0 397.540 4.938 40 0 GJABRO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076364 570320990 /nfs/dbraw/zinc/32/09/90/570320990.db2.gz PCJBQSFDISSIMS-HXUWFJFHSA-N 1 0 383.513 4.549 40 0 GJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076614 570321008 /nfs/dbraw/zinc/32/10/08/570321008.db2.gz VYQBNRUFRDRUFK-JLTOFOAXSA-N 1 0 386.289 4.921 40 0 GJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375730 570340214 /nfs/dbraw/zinc/34/02/14/570340214.db2.gz IVISQLDUXOXMJM-SFHVURJKSA-N 1 0 380.517 4.936 40 0 GJABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)n2)n1 ZINC000072376421 570340458 /nfs/dbraw/zinc/34/04/58/570340458.db2.gz MAIZTOAYVHTJRP-QFIPXVFZSA-N 1 0 398.514 4.752 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932762 570369090 /nfs/dbraw/zinc/36/90/90/570369090.db2.gz DSIXHBFXZSSULK-BFILXVKISA-N 1 0 387.608 4.935 40 0 GJABRO COc1ccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 ZINC000057774521 570373764 /nfs/dbraw/zinc/37/37/64/570373764.db2.gz RQNPRJFFMCZSCU-UHFFFAOYSA-N 1 0 389.421 4.970 40 0 GJABRO CC[NH+](CC)CCOC(=O)C(OCCC(C)C)(c1ccccc1)c1ccccc1 ZINC000004430116 570375069 /nfs/dbraw/zinc/37/50/69/570375069.db2.gz BCOMAKKOGGODRQ-UHFFFAOYSA-N 1 0 397.559 4.878 40 0 GJABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242490 570452231 /nfs/dbraw/zinc/45/22/31/570452231.db2.gz APEXTNAXSUPPOK-VGOFRKELSA-N 1 0 396.962 4.918 40 0 GJABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)cc1 ZINC000035310752 570465609 /nfs/dbraw/zinc/46/56/09/570465609.db2.gz PEFKMGWGCHBOKS-CTXDPNEZSA-N 1 0 375.557 4.830 40 0 GJABRO Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000223487935 570468453 /nfs/dbraw/zinc/46/84/53/570468453.db2.gz 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ZINC000008253144 570525778 /nfs/dbraw/zinc/52/57/78/570525778.db2.gz RPXRBNQMKNXUEI-UHFFFAOYSA-N 1 0 381.875 4.583 40 0 GJABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000224767193 570529902 /nfs/dbraw/zinc/52/99/02/570529902.db2.gz LTBHLODGPDAUPY-UHFFFAOYSA-N 1 0 390.578 4.667 40 0 GJABRO Clc1cccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2ccncc2)c1 ZINC000001223946 570565093 /nfs/dbraw/zinc/56/50/93/570565093.db2.gz WRQWBUZYKSZAGX-UHFFFAOYSA-N 1 0 399.951 4.561 40 0 GJABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc2ccccc2n1 ZINC000036740338 570568900 /nfs/dbraw/zinc/56/89/00/570568900.db2.gz MOEHXZGWIHEJRR-UHFFFAOYSA-N 1 0 386.499 4.532 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cc1Cn1ccnc1C ZINC000036752956 570570210 /nfs/dbraw/zinc/57/02/10/570570210.db2.gz QKKVOJSJXZIHFN-JOCHJYFZSA-N 1 0 379.479 4.725 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)CC1 ZINC000038771348 570583253 /nfs/dbraw/zinc/58/32/53/570583253.db2.gz XRIFSUVASLQTAV-UHFFFAOYSA-N 1 0 382.573 4.582 40 0 GJABRO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832780 570584665 /nfs/dbraw/zinc/58/46/65/570584665.db2.gz HZIBEUSJBDGXEP-INIZCTEOSA-N 1 0 377.315 4.522 40 0 GJABRO O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038860391 570589122 /nfs/dbraw/zinc/58/91/22/570589122.db2.gz OXPWPZHWLXTOPB-HNNXBMFYSA-N 1 0 380.385 4.695 40 0 GJABRO Cc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873303 570637694 /nfs/dbraw/zinc/63/76/94/570637694.db2.gz DWVDXIQRSSIUBE-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)CC1 ZINC000044906294 570641623 /nfs/dbraw/zinc/64/16/23/570641623.db2.gz UZJNXBKUKHHABL-UHFFFAOYSA-N 1 0 384.951 4.935 40 0 GJABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000004888067 570642516 /nfs/dbraw/zinc/64/25/16/570642516.db2.gz SBHWBLBEOKBHTA-AYHJJNSGSA-N 1 0 389.565 4.759 40 0 GJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004887928 570642521 /nfs/dbraw/zinc/64/25/21/570642521.db2.gz QZMAMTKUYJEXDN-XSNACQMZSA-N 1 0 392.587 4.905 40 0 GJABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000044936903 570644329 /nfs/dbraw/zinc/64/43/29/570644329.db2.gz VVRGCOJKJQKNOE-HSZRJFAPSA-N 1 0 382.523 4.941 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260818174 570708710 /nfs/dbraw/zinc/70/87/10/570708710.db2.gz WMGNRTUKRYXMPA-SFYKDHMMSA-N 1 0 390.568 4.577 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816931 570708800 /nfs/dbraw/zinc/70/88/00/570708800.db2.gz SEYDJNUIEGQQLF-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO Cc1cc(C)cc(C(=O)N[C@H]2CC3(CC[NH+](C(C)C)CC3)Oc3ccccc32)c1 ZINC000585105948 570935328 /nfs/dbraw/zinc/93/53/28/570935328.db2.gz UDCZFDNRFVGWOX-QFIPXVFZSA-N 1 0 392.543 4.800 40 0 GJABRO COc1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450768 570985135 /nfs/dbraw/zinc/98/51/35/570985135.db2.gz XACCGWRZEZBWIL-IBGZPJMESA-N 1 0 379.504 4.738 40 0 GJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019522020 570994952 /nfs/dbraw/zinc/99/49/52/570994952.db2.gz MTXQUXRIBWFQOP-AWEZNQCLSA-N 1 0 390.409 4.579 40 0 GJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096052607 571097628 /nfs/dbraw/zinc/09/76/28/571097628.db2.gz XJDJPHZXJZDTBJ-GOSISDBHSA-N 1 0 382.573 4.684 40 0 GJABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1OC ZINC000019454154 210251261 /nfs/dbraw/zinc/25/12/61/210251261.db2.gz LQAOHYIBEYHTOU-YDLSIGKMSA-N 1 0 395.547 4.679 40 0 GJABRO O=C(c1ccc(Cl)cc1Cl)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408609083 231078240 /nfs/dbraw/zinc/07/82/40/231078240.db2.gz NVDMYEXESWFIGU-UHFFFAOYSA-N 1 0 389.326 4.656 40 0 GJABRO Cc1cccc(C2(O)CC[NH+](Cc3c4cccnc4[nH]c3C(C)(C)C)CC2)c1 ZINC000019234509 210233300 /nfs/dbraw/zinc/23/33/00/210233300.db2.gz JGWFCBSQBKJUMT-UHFFFAOYSA-N 1 0 377.532 4.652 40 0 GJABRO Cc1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000015230859 210153761 /nfs/dbraw/zinc/15/37/61/210153761.db2.gz ALUGMCSFUIYZJM-OAQYLSRUSA-N 1 0 389.441 4.664 40 0 GJABRO CCC[NH2+]CC[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568052 209332397 /nfs/dbraw/zinc/33/23/97/209332397.db2.gz WYOUSRKHSRSSFP-ZDUSSCGKSA-N 1 0 380.332 4.696 40 0 GJABRO O[C@H]([C@H](c1ccccc1)[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001690376 209337043 /nfs/dbraw/zinc/33/70/43/209337043.db2.gz WCNZEPPRMMCDML-LOSJGSFVSA-N 1 0 387.523 4.511 40 0 GJABRO c1ccc(Nc2cncc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257319743 212024045 /nfs/dbraw/zinc/02/40/45/212024045.db2.gz VTXKQTCNGHOPAJ-UHFFFAOYSA-N 1 0 396.498 4.543 40 0 GJABRO O=C(c1ccc(Cl)cc1)N(CC[NH+]1CCCC1)c1nc2ccccc2s1 ZINC000004968549 204097687 /nfs/dbraw/zinc/09/76/87/204097687.db2.gz PWZPKDXJNTWDFZ-UHFFFAOYSA-N 1 0 385.920 4.692 40 0 GJABRO CCOc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289088 204149080 /nfs/dbraw/zinc/14/90/80/204149080.db2.gz GQNWADDWAZLEBY-IHWFROFDSA-N 1 0 395.572 4.567 40 0 GJABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006355902 204175457 /nfs/dbraw/zinc/17/54/57/204175457.db2.gz STEUGUDCLGDMGA-NFBKMPQASA-N 1 0 381.560 4.895 40 0 GJABRO COc1ccccc1OCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1 ZINC000007343621 204240308 /nfs/dbraw/zinc/24/03/08/204240308.db2.gz BTFIAZMZTSOWBV-SFHVURJKSA-N 1 0 379.504 4.671 40 0 GJABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1F ZINC000008254173 204267606 /nfs/dbraw/zinc/26/76/06/204267606.db2.gz KQNBPEYOFZGABN-QGZVFWFLSA-N 1 0 393.886 4.725 40 0 GJABRO COc1cccc2c1OC1(CC[NH+](Cc3ccc(F)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257266997 212014754 /nfs/dbraw/zinc/01/47/54/212014754.db2.gz MFLNYQJVZIWLOB-RBBKRZOGSA-N 1 0 397.490 4.729 40 0 GJABRO Cc1nc(Nc2cncc(C3CC[NH+](Cc4ccccc4C)CC3)n2)sc1C ZINC000257237485 212008363 /nfs/dbraw/zinc/00/83/63/212008363.db2.gz HGRGZXQHZQPZKX-UHFFFAOYSA-N 1 0 393.560 4.982 40 0 GJABRO COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CC[N@@H+](C4CCCCC4)C[C@@H]23)c1 ZINC000019081672 204624382 /nfs/dbraw/zinc/62/43/82/204624382.db2.gz WDKGHBRFMTVZLN-VABKMULXSA-N 1 0 398.591 4.690 40 0 GJABRO CC1=C[C@@H](C[NH2+]Cc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883579 211933348 /nfs/dbraw/zinc/93/33/48/211933348.db2.gz STGVCJTUQLGXKH-ACRUOGEOSA-N 1 0 396.579 4.949 40 0 biogenic,in-vitro GJABRO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832779 205039158 /nfs/dbraw/zinc/03/91/58/205039158.db2.gz HZIBEUSJBDGXEP-MRXNPFEDSA-N 1 0 377.315 4.522 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2ccccc2F)o1 ZINC000043277765 205083525 /nfs/dbraw/zinc/08/35/25/205083525.db2.gz HXAQIFKFGNBISD-UHFFFAOYSA-N 1 0 392.478 4.807 40 0 GJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872520 205087956 /nfs/dbraw/zinc/08/79/56/205087956.db2.gz VOKDAARIINHWCK-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350263 205330390 /nfs/dbraw/zinc/33/03/90/205330390.db2.gz HIDBSNPKYLCCFO-IBGZPJMESA-N 1 0 390.506 4.628 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072356234 205331974 /nfs/dbraw/zinc/33/19/74/205331974.db2.gz JQWMRAXKIMYYOE-HSZRJFAPSA-N 1 0 386.543 4.713 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358221 205333731 /nfs/dbraw/zinc/33/37/31/205333731.db2.gz GMWHFZKWYVERJX-QFIPXVFZSA-N 1 0 376.479 4.585 40 0 GJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358107 205334271 /nfs/dbraw/zinc/33/42/71/205334271.db2.gz BHLVVDLWZGGNKP-VWLOTQADSA-N 1 0 385.511 4.968 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359291 205334552 /nfs/dbraw/zinc/33/45/52/205334552.db2.gz GLKFDMGMXYOLFN-FQEVSTJZSA-N 1 0 389.499 4.540 40 0 GJABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535473 206022768 /nfs/dbraw/zinc/02/27/68/206022768.db2.gz PPJSIOREZGKLBW-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224637364 206025922 /nfs/dbraw/zinc/02/59/22/206025922.db2.gz UURNTJFGCNEIQZ-HXUWFJFHSA-N 1 0 394.559 4.798 40 0 GJABRO Cc1ccc(SCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224807572 206029957 /nfs/dbraw/zinc/02/99/57/206029957.db2.gz OMTWXFUFAICFBB-UHFFFAOYSA-N 1 0 382.573 4.780 40 0 GJABRO Cc1nn(-c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)o3)cc2)c(C)c1Cl ZINC000028241200 206037380 /nfs/dbraw/zinc/03/73/80/206037380.db2.gz BHOLSQKMNJPRQW-UHFFFAOYSA-N 1 0 398.894 4.584 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225693640 206066932 /nfs/dbraw/zinc/06/69/32/206066932.db2.gz DUXDJFNQKAACJH-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257320993 206177604 /nfs/dbraw/zinc/17/76/04/206177604.db2.gz VZQKIPKYPXYBCQ-SFHVURJKSA-N 1 0 386.499 4.899 40 0 GJABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000257335682 206181650 /nfs/dbraw/zinc/18/16/50/206181650.db2.gz YLJUVGVGDQPOKK-FQEVSTJZSA-N 1 0 395.547 4.549 40 0 GJABRO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625804 211344900 /nfs/dbraw/zinc/34/49/00/211344900.db2.gz YEYNGADLOLCZSR-UHFFFAOYSA-N 1 0 391.342 4.564 40 0 GJABRO CC(C)n1cnc2c1cc(C1CC[NH+](CC3CC3)CC1)nc2-c1cccnc1 ZINC000096267183 211328058 /nfs/dbraw/zinc/32/80/58/211328058.db2.gz ZIDPFTCOPYSUGP-UHFFFAOYSA-N 1 0 375.520 4.664 40 0 GJABRO c1coc(C[NH+]2CCC3(CC2)C[C@H](NCc2ccoc2)c2ccccc2O3)c1 ZINC000096242822 211323219 /nfs/dbraw/zinc/32/32/19/211323219.db2.gz OIYBWIICQFOYGK-NRFANRHFSA-N 1 0 378.472 4.521 40 0 GJABRO Cc1cc([C@H](O)C[NH2+]CCCCCCOCCCCc2ccccc2)ccc1O ZINC000077286677 211129358 /nfs/dbraw/zinc/12/93/58/211129358.db2.gz CRLOZJFZHGTJNG-RUZDIDTESA-N 1 0 399.575 4.924 40 0 in-vitro GJABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000072372576 211102442 /nfs/dbraw/zinc/10/24/42/211102442.db2.gz WKGRCOREEGVOIB-QHCPKHFHSA-N 1 0 396.498 4.809 40 0 GJABRO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376604 211106405 /nfs/dbraw/zinc/10/64/05/211106405.db2.gz ORALPPFYWUVJMJ-OAQYLSRUSA-N 1 0 376.479 4.686 40 0 GJABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375784 211104647 /nfs/dbraw/zinc/10/46/47/211104647.db2.gz FTHPUQPFDLMZEB-FQEVSTJZSA-N 1 0 398.514 4.822 40 0 GJABRO C[NH+](C)CCOc1ccc([C@@H](c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 ZINC000071625196 211051203 /nfs/dbraw/zinc/05/12/03/211051203.db2.gz LSBUBGBAISEBHG-IZZNHLLZSA-N 1 0 389.539 4.925 40 0 GJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000044857217 210815014 /nfs/dbraw/zinc/81/50/14/210815014.db2.gz UNTYARQNENJVGW-JJIBRWJFSA-N 1 0 386.495 4.732 40 0 GJABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000020112612 210318127 /nfs/dbraw/zinc/31/81/27/210318127.db2.gz WMTOVDAAUWPHES-QGZVFWFLSA-N 1 0 394.515 4.656 40 0 GJABRO C[N@@H+]1CCC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585263056 570231361 /nfs/dbraw/zinc/23/13/61/570231361.db2.gz XWVWLNRLKPZSLH-INIZCTEOSA-N 1 0 382.508 4.972 40 0 GJABRO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000096627175 570231503 /nfs/dbraw/zinc/23/15/03/570231503.db2.gz QXZYMLJWVUIGTD-LJQANCHMSA-N 1 0 397.950 4.791 40 0 GJABRO CC(C)(C)[NH2+]C[C@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568050 570265016 /nfs/dbraw/zinc/26/50/16/570265016.db2.gz JOVARRUCCRAWIH-LBPRGKRZSA-N 1 0 380.332 4.694 40 0 GJABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216226363 570297217 /nfs/dbraw/zinc/29/72/17/570297217.db2.gz UIEFKIYGYCXTTQ-RTBURBONSA-N 1 0 380.532 4.808 40 0 GJABRO CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075826 570305256 /nfs/dbraw/zinc/30/52/56/570305256.db2.gz HOOLFRNZOPGSEB-UHFFFAOYSA-N 1 0 387.738 4.877 40 0 GJABRO COc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076387 570320727 /nfs/dbraw/zinc/32/07/27/570320727.db2.gz SXHDONGRNUFPEX-OPAMFIHVSA-N 1 0 383.513 4.547 40 0 GJABRO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039766856 570446126 /nfs/dbraw/zinc/44/61/26/570446126.db2.gz NHDARUAJECLAQO-UHFFFAOYSA-N 1 0 386.967 4.637 40 0 GJABRO Fc1cccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)c1 ZINC000226308124 570459381 /nfs/dbraw/zinc/45/93/81/570459381.db2.gz FOYPYXGDZDLYNB-UHFFFAOYSA-N 1 0 384.228 4.732 40 0 GJABRO CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000223696860 570479263 /nfs/dbraw/zinc/47/92/63/570479263.db2.gz MYPDQPHFZUPYPC-UHFFFAOYSA-N 1 0 394.559 4.779 40 0 GJABRO COc1ccc(C[NH+](Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1 ZINC000004566475 570497822 /nfs/dbraw/zinc/49/78/22/570497822.db2.gz QBGALSGYSFABJX-UHFFFAOYSA-N 1 0 377.484 4.915 40 0 GJABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000030865384 570499997 /nfs/dbraw/zinc/49/99/97/570499997.db2.gz HIKUCQBJKAFRKW-JTHBVZDNSA-N 1 0 382.548 4.768 40 0 GJABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000007538570 570507783 /nfs/dbraw/zinc/50/77/83/570507783.db2.gz TZGISFXGALIEMH-UHFFFAOYSA-N 1 0 377.484 4.881 40 0 GJABRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462709 570510703 /nfs/dbraw/zinc/51/07/03/570510703.db2.gz ODUNONFPJSFDAP-MRXNPFEDSA-N 1 0 388.964 4.733 40 0 GJABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1Cl ZINC000224699689 570525693 /nfs/dbraw/zinc/52/56/93/570525693.db2.gz PNPVSSAFNCJMEG-UHFFFAOYSA-N 1 0 386.923 4.655 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225688781 570603162 /nfs/dbraw/zinc/60/31/62/570603162.db2.gz BYKHCSXHBFITSH-AUSIDOKSSA-N 1 0 390.568 4.577 40 0 GJABRO CSc1ccc(C[NH+]2CCC(c3nnsc3-c3cc(C)no3)CC2)cc1 ZINC000012223987 570628464 /nfs/dbraw/zinc/62/84/64/570628464.db2.gz YWBBECICAYDMCW-UHFFFAOYSA-N 1 0 386.546 4.603 40 0 GJABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044911932 570642945 /nfs/dbraw/zinc/64/29/45/570642945.db2.gz ZURREOHIXSUHKA-UHFFFAOYSA-N 1 0 394.515 4.800 40 0 GJABRO COc1ccc(C[N@H+](Cc2ccccc2)Cc2ccncc2)cc1Cn1cccn1 ZINC000057797066 570703974 /nfs/dbraw/zinc/70/39/74/570703974.db2.gz HPAYKFXUFDWCPC-UHFFFAOYSA-N 1 0 398.510 4.537 40 0 GJABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccccc1F ZINC000006883538 570752701 /nfs/dbraw/zinc/75/27/01/570752701.db2.gz FPVNWIOGEWRMKY-UHFFFAOYSA-N 1 0 396.300 4.921 40 0 GJABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(F)cc1 ZINC000008253970 570766017 /nfs/dbraw/zinc/76/60/17/570766017.db2.gz KRXWDHDYQRMBAC-UHFFFAOYSA-N 1 0 394.284 4.818 40 0 GJABRO CCc1ccc(C[N@H+](Cc2ccc(N3CCCC3=O)cc2)Cc2cccnc2)cc1 ZINC000013569131 570850824 /nfs/dbraw/zinc/85/08/24/570850824.db2.gz RKSLSFXLTTWOFF-UHFFFAOYSA-N 1 0 399.538 4.973 40 0 GJABRO c1ccc(-c2nc3c4ccccc4nc(SCC[NH+]4CCCCC4)n3n2)cc1 ZINC000013640142 570863153 /nfs/dbraw/zinc/86/31/53/570863153.db2.gz MTFCVDAUSRPSJK-UHFFFAOYSA-N 1 0 389.528 4.523 40 0 GJABRO COc1ccc(C[N@@H+](Cc2ccncc2)C[C@@H](C)c2ccccc2)cc1OC ZINC000013989939 570868500 /nfs/dbraw/zinc/86/85/00/570868500.db2.gz 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C[NH+](C)CCN(Cc1ccc(-c2ccc(F)c(Cl)c2)o1)Cc1ccncc1 ZINC000019582717 571014077 /nfs/dbraw/zinc/01/40/77/571014077.db2.gz FEBSVRCHSRGRCF-UHFFFAOYSA-N 1 0 387.886 4.698 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC(C)C)c4ccccc43)CC2)s1 ZINC000096052619 571097579 /nfs/dbraw/zinc/09/75/79/571097579.db2.gz KDRXRHBHXVSHLU-IBGZPJMESA-N 1 0 396.600 4.992 40 0 GJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CC1 ZINC000096052986 571097624 /nfs/dbraw/zinc/09/76/24/571097624.db2.gz IIJXORWSKQOWMA-IBGZPJMESA-N 1 0 392.518 4.516 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257330975 212026621 /nfs/dbraw/zinc/02/66/21/212026621.db2.gz XQVPKTNUCSQEMZ-SFHVURJKSA-N 1 0 386.499 4.899 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004744012 204071867 /nfs/dbraw/zinc/07/18/67/204071867.db2.gz DSIXHBFXZSSULK-UAONAUEWSA-N 1 0 387.608 4.935 40 0 GJABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000004887438 204086441 /nfs/dbraw/zinc/08/64/41/204086441.db2.gz XCPZQPKXBWLDQZ-JLYLLQBASA-N 1 0 377.985 4.955 40 0 GJABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289089 204149391 /nfs/dbraw/zinc/14/93/91/204149391.db2.gz ZRCNZJCNBFCHDM-AYHJJNSGSA-N 1 0 385.964 4.822 40 0 GJABRO c1cc2n(c1)-c1ccccc1NC21CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000012117275 204372554 /nfs/dbraw/zinc/37/25/54/204372554.db2.gz WQKHIIVPIOISGD-UHFFFAOYSA-N 1 0 383.495 4.670 40 0 GJABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC(C)C ZINC000012345309 204398317 /nfs/dbraw/zinc/39/83/17/204398317.db2.gz AOIWQUCXSYGGNT-SVGJNIJCSA-N 1 0 399.506 4.636 40 0 GJABRO Cc1nc(Nc2cncc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)n2)sc1C ZINC000257228838 212007374 /nfs/dbraw/zinc/00/73/74/212007374.db2.gz FVMALZHLCHRTGT-KRWDZBQOSA-N 1 0 383.565 4.829 40 0 GJABRO Cc1nc(Nc2cncc(C3CC[NH+](Cc4cccc(C)c4)CC3)n2)sc1C ZINC000257224220 212004620 /nfs/dbraw/zinc/00/46/20/212004620.db2.gz FAUYSBXAVCBAPI-UHFFFAOYSA-N 1 0 393.560 4.982 40 0 GJABRO CC(C)(C)c1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696425 211871566 /nfs/dbraw/zinc/87/15/66/211871566.db2.gz JKPVCSJXLUALDS-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO CCCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044851633 205087468 /nfs/dbraw/zinc/08/74/68/205087468.db2.gz LDWAEYGYYWFZAQ-UHFFFAOYSA-N 1 0 394.559 4.824 40 0 GJABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857201 205087731 /nfs/dbraw/zinc/08/77/31/205087731.db2.gz AWMPWZRVDLOCDA-CSKARUKUSA-N 1 0 389.326 4.919 40 0 GJABRO Cc1ccc(S[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873406 205087850 /nfs/dbraw/zinc/08/78/50/205087850.db2.gz SCOMQWVDXGLEQT-LJQANCHMSA-N 1 0 382.573 4.778 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856528 205088506 /nfs/dbraw/zinc/08/85/06/205088506.db2.gz OYOCOOILGLZYNY-HSZRJFAPSA-N 1 0 382.523 4.922 40 0 GJABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044911938 205090913 /nfs/dbraw/zinc/09/09/13/205090913.db2.gz OPNMHVBURWWLEK-QGZVFWFLSA-N 1 0 394.515 4.656 40 0 GJABRO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044933005 205091657 /nfs/dbraw/zinc/09/16/57/205091657.db2.gz HRIVDPHTRUPZFV-QFIPXVFZSA-N 1 0 382.935 4.746 40 0 GJABRO C[C@@H]1CCC2=[N+](CC1)[C@@](O)(c1ccc(Cl)cc1)CN2c1ccc(Cl)cc1 ZINC000027525386 211854127 /nfs/dbraw/zinc/85/41/27/211854127.db2.gz UYKISXLFLZCPPW-VFNWGFHPSA-N 1 0 390.334 4.890 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000223223857 211825732 /nfs/dbraw/zinc/82/57/32/211825732.db2.gz GYHRVZLZBHPUIC-LJQANCHMSA-N 1 0 376.544 4.573 40 0 GJABRO CCc1ncc(C[NH+]2CCC(c3cccc(Cc4ccccc4C)n3)CC2)cn1 ZINC000072350253 205330482 /nfs/dbraw/zinc/33/04/82/205330482.db2.gz MFTZGHKDELOCHV-UHFFFAOYSA-N 1 0 386.543 4.713 40 0 GJABRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1C1CCOCC1 ZINC000072394995 205343230 /nfs/dbraw/zinc/34/32/30/205343230.db2.gz JXPJCBOHOBORPJ-UHFFFAOYSA-N 1 0 399.922 4.621 40 0 GJABRO CC1(C)C[C@H]([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000026532617 206001995 /nfs/dbraw/zinc/00/19/95/206001995.db2.gz PWNDMUMGAWMMEF-FGZHOGPDSA-N 1 0 395.543 4.959 40 0 GJABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000224537871 206022338 /nfs/dbraw/zinc/02/23/38/206022338.db2.gz NUQMFERFNUCKQS-UHFFFAOYSA-N 1 0 376.544 4.801 40 0 GJABRO O=C(COc1cccc2ccccc21)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224675276 206026349 /nfs/dbraw/zinc/02/63/49/206026349.db2.gz DQVHRILFGARRBP-UHFFFAOYSA-N 1 0 388.511 4.521 40 0 GJABRO CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224831186 206029821 /nfs/dbraw/zinc/02/98/21/206029821.db2.gz IRVORBPREHCMBQ-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225702971 206068986 /nfs/dbraw/zinc/06/89/86/206068986.db2.gz QVCYSODXJMAESH-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225730486 206070820 /nfs/dbraw/zinc/07/08/20/206070820.db2.gz WMGNRTUKRYXMPA-YYDVJCTNSA-N 1 0 390.568 4.577 40 0 GJABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 ZINC000225525828 206055816 /nfs/dbraw/zinc/05/58/16/206055816.db2.gz NULROPOLTXZSDK-UHFFFAOYSA-N 1 0 386.923 4.731 40 0 GJABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225615180 206061391 /nfs/dbraw/zinc/06/13/91/206061391.db2.gz QZCAZPBQYAXLRB-UHFFFAOYSA-N 1 0 390.568 4.577 40 0 GJABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2c1cccc2C(F)(F)F ZINC000225827183 206078648 /nfs/dbraw/zinc/07/86/48/206078648.db2.gz FSQIYRYBDUVDRJ-UHFFFAOYSA-N 1 0 375.390 4.705 40 0 GJABRO CC[C@H]1CSc2n1c(-c1ccc3c(c1)OCCO3)c[n+]2-c1ccc(Cl)cc1 ZINC000027788808 206104787 /nfs/dbraw/zinc/10/47/87/206104787.db2.gz PAGYQGBQMZWJIN-INIZCTEOSA-N 1 0 399.923 4.913 40 0 GJABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000257203298 206156852 /nfs/dbraw/zinc/15/68/52/206156852.db2.gz APKPCSZDOYEIMJ-SFHVURJKSA-N 1 0 379.504 4.648 40 0 GJABRO C[C@@H]([NH2+]C[C@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373199 206193209 /nfs/dbraw/zinc/19/32/09/206193209.db2.gz YXBCIFNYBRWTHM-YKSBVNFPSA-N 1 0 375.512 4.547 40 0 GJABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000257335683 206180895 /nfs/dbraw/zinc/18/08/95/206180895.db2.gz YLJUVGVGDQPOKK-HXUWFJFHSA-N 1 0 395.547 4.549 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306133063 206200962 /nfs/dbraw/zinc/20/09/62/206200962.db2.gz MARXUVAKKSIHFW-JOCHJYFZSA-N 1 0 384.483 4.742 40 0 GJABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 ZINC000096071972 211298840 /nfs/dbraw/zinc/29/88/40/211298840.db2.gz HGDNDWOMBFEXLP-JOCHJYFZSA-N 1 0 386.536 4.743 40 0 GJABRO c1ccc(Nc2cncc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072376334 211104669 /nfs/dbraw/zinc/10/46/69/211104669.db2.gz GYEHXNYYPGMDFM-OAQYLSRUSA-N 1 0 382.471 4.501 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072350249 211097043 /nfs/dbraw/zinc/09/70/43/211097043.db2.gz UNBZRYQPBGWDAL-IBGZPJMESA-N 1 0 376.479 4.620 40 0 GJABRO C[NH+](C)CCOc1ccc([C@@H](c2ccccc2)[C@H](CCO)c2ccccc2)cc1 ZINC000071625200 211051887 /nfs/dbraw/zinc/05/18/87/211051887.db2.gz LSBUBGBAISEBHG-CLJLJLNGSA-N 1 0 389.539 4.925 40 0 GJABRO Cc1cccc(CSCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000022527874 210416703 /nfs/dbraw/zinc/41/67/03/210416703.db2.gz QBBJGUQVFILWSI-FQEVSTJZSA-N 1 0 396.600 4.890 40 0 GJABRO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408613646 534679646 /nfs/dbraw/zinc/67/96/46/534679646.db2.gz ZFPZBIHMXUNCIZ-VWLOTQADSA-N 1 0 382.507 4.626 40 0 GJABRO Cc1nc([C@@H]2CC[N@@H+](C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753419 570215913 /nfs/dbraw/zinc/21/59/13/570215913.db2.gz QRCPWHMIRJBENU-MRXNPFEDSA-N 1 0 398.938 4.813 40 0 GJABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2C2CCCC2)nc1C ZINC000019753462 570215963 /nfs/dbraw/zinc/21/59/63/570215963.db2.gz SRANQVNKYHKPED-HXUWFJFHSA-N 1 0 394.519 4.516 40 0 GJABRO CC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2Cl)[C@@H]1Cc1cccc(C)c1 ZINC000585284650 570253865 /nfs/dbraw/zinc/25/38/65/570253865.db2.gz GQFNKTDXXYIBOO-GOTSBHOMSA-N 1 0 384.951 4.669 40 0 GJABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000585289609 570257473 /nfs/dbraw/zinc/25/74/73/570257473.db2.gz SHWACYZRSAQWND-IPMKNSEASA-N 1 0 399.840 4.809 40 0 GJABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000585289288 570257479 /nfs/dbraw/zinc/25/74/79/570257479.db2.gz HKBDTUWKPQQYEG-RBZQAINGSA-N 1 0 399.962 4.956 40 0 GJABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]C3CCCC3)cc12 ZINC000001353893 570260892 /nfs/dbraw/zinc/26/08/92/570260892.db2.gz UISPWIYAJNBEMU-UHFFFAOYSA-N 1 0 398.938 4.697 40 0 GJABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000022074390 570304809 /nfs/dbraw/zinc/30/48/09/570304809.db2.gz LFWIHYSPOOPGRX-UHFFFAOYSA-N 1 0 384.303 4.742 40 0 GJABRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731826 570371839 /nfs/dbraw/zinc/37/18/39/570371839.db2.gz MJHIRDUYWMUNHY-WWPVKYPJSA-N 1 0 382.935 4.760 40 0 GJABRO CC(C)c1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000222602161 570416557 /nfs/dbraw/zinc/41/65/57/570416557.db2.gz VPBHXVUCAGQVSY-QHCPKHFHSA-N 1 0 396.550 4.910 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000222974608 570434380 /nfs/dbraw/zinc/43/43/80/570434380.db2.gz AFROBNVTSPNDEP-FQEVSTJZSA-N 1 0 390.571 4.963 40 0 GJABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC000039761192 570445662 /nfs/dbraw/zinc/44/56/62/570445662.db2.gz XDWKGRJHTXUYLV-UHFFFAOYSA-N 1 0 393.314 4.853 40 0 GJABRO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039751610 570447508 /nfs/dbraw/zinc/44/75/08/570447508.db2.gz CGCOGRZMJGTDHJ-UHFFFAOYSA-N 1 0 381.278 4.983 40 0 GJABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000223471209 570467856 /nfs/dbraw/zinc/46/78/56/570467856.db2.gz QOMAQQCHUAVEJC-LJQANCHMSA-N 1 0 382.523 4.840 40 0 GJABRO C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC=C3C[C@H](O)CC[C@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253590292 570484135 /nfs/dbraw/zinc/48/41/35/570484135.db2.gz FNIVMUUUMKIEAO-IVQJOIJJSA-N 1 0 399.619 4.897 40 0 GJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224618968 570520891 /nfs/dbraw/zinc/52/08/91/570520891.db2.gz NNWODLRVWSYSDV-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253953 570525832 /nfs/dbraw/zinc/52/58/32/570525832.db2.gz MBJPTNQQQCCESH-UHFFFAOYSA-N 1 0 397.346 4.670 40 0 GJABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCCC2)cc1 ZINC000225542171 570586186 /nfs/dbraw/zinc/58/61/86/570586186.db2.gz LNWOWCWSMUZCNG-UHFFFAOYSA-N 1 0 380.532 4.776 40 0 GJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225581719 570590912 /nfs/dbraw/zinc/59/09/12/570590912.db2.gz KYYRESDMIFGMHX-INIZCTEOSA-N 1 0 398.414 4.699 40 0 GJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225628906 570596167 /nfs/dbraw/zinc/59/61/67/570596167.db2.gz RRQOBYREHLJHKT-IBGZPJMESA-N 1 0 388.552 4.618 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225659318 570599217 /nfs/dbraw/zinc/59/92/17/570599217.db2.gz VIDDCHKTIHWEKC-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225688681 570603126 /nfs/dbraw/zinc/60/31/26/570603126.db2.gz XYDIPFKPNBWDGA-QHCPKHFHSA-N 1 0 390.568 4.577 40 0 GJABRO C[NH+](C)CCCN(C(=O)C1CCCCC1)c1nc(-c2ccc(F)cc2)cs1 ZINC000004215031 570623303 /nfs/dbraw/zinc/62/33/03/570623303.db2.gz MYNNZIOMRROQMO-UHFFFAOYSA-N 1 0 389.540 4.814 40 0 GJABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000030865378 570626187 /nfs/dbraw/zinc/62/61/87/570626187.db2.gz HIKUCQBJKAFRKW-FYYLOGMGSA-N 1 0 382.548 4.768 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000225879542 570629890 /nfs/dbraw/zinc/62/98/90/570629890.db2.gz SGYAPNBGNVAISH-JOCHJYFZSA-N 1 0 380.532 4.871 40 0 GJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000044851483 570636200 /nfs/dbraw/zinc/63/62/00/570636200.db2.gz YDIUVUGEBLKYSX-UHFFFAOYSA-N 1 0 394.559 4.680 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816757 570707928 /nfs/dbraw/zinc/70/79/28/570707928.db2.gz PSZQRTNFQCNAJS-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818229 570708691 /nfs/dbraw/zinc/70/86/91/570708691.db2.gz YFWBUUGCLCQBOF-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO C[C@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497336 570769496 /nfs/dbraw/zinc/76/94/96/570769496.db2.gz KFQMVQZMIDKOFA-GXSYWRQXSA-N 1 0 398.591 4.675 40 0 GJABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4sccc4C)o3)CC2)c1OC ZINC000019238728 570968006 /nfs/dbraw/zinc/96/80/06/570968006.db2.gz PUKAWZZCQJWQEJ-UHFFFAOYSA-N 1 0 399.516 4.503 40 0 GJABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]21 ZINC000019372279 570981152 /nfs/dbraw/zinc/98/11/52/570981152.db2.gz KWIOANJRZMRODI-VABKMULXSA-N 1 0 394.584 4.755 40 0 GJABRO CC(C)[N@@H+]1CC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019447758 570984295 /nfs/dbraw/zinc/98/42/95/570984295.db2.gz BLUGUBRQZZPIEJ-GFCCVEGCSA-N 1 0 380.439 4.674 40 0 GJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019452354 570985759 /nfs/dbraw/zinc/98/57/59/570985759.db2.gz SHGSXCQWAMEKKP-MRXNPFEDSA-N 1 0 398.498 4.904 40 0 GJABRO O=C([C@@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCc2ccccc2C1 ZINC000004745080 570992848 /nfs/dbraw/zinc/99/28/48/570992848.db2.gz VLIHKSXDDPUCHU-XMMPIXPASA-N 1 0 384.523 4.637 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000585172041 570997159 /nfs/dbraw/zinc/99/71/59/570997159.db2.gz LZIFAWGQXOGDGZ-KRWDZBQOSA-N 1 0 387.405 4.787 40 0 GJABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccco5)CC4)nn3c2)c1 ZINC000096038193 571097425 /nfs/dbraw/zinc/09/74/25/571097425.db2.gz NHXZXOBFKXVGIA-UHFFFAOYSA-N 1 0 376.435 4.508 40 0 GJABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019569258 210265543 /nfs/dbraw/zinc/26/55/43/210265543.db2.gz OLKKZLYJMWHUDT-UHFFFAOYSA-N 1 0 381.516 4.500 40 0 GJABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc(C(F)F)c12 ZINC000019564368 210265313 /nfs/dbraw/zinc/26/53/13/210265313.db2.gz JFIFWYXGAFFOKU-AWEZNQCLSA-N 1 0 375.394 4.988 40 0 GJABRO CSc1ccccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408608027 231078655 /nfs/dbraw/zinc/07/86/55/231078655.db2.gz LZRYCURZQUQQCR-UHFFFAOYSA-N 1 0 394.584 4.927 40 0 GJABRO Cc1ccccc1C[N@H+](Cc1ccncc1)[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019237143 210235809 /nfs/dbraw/zinc/23/58/09/210235809.db2.gz SYLMDJYNCWRVIU-BJKOFHAPSA-N 1 0 376.475 4.714 40 0 GJABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(F)cc2)CC2CCCCC2)on1 ZINC000019120612 210225350 /nfs/dbraw/zinc/22/53/50/210225350.db2.gz ZRTNVPACWCKGOC-NFBKMPQASA-N 1 0 386.511 4.762 40 0 GJABRO CCCCCC[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000007260985 209725213 /nfs/dbraw/zinc/72/52/13/209725213.db2.gz SEJTYJIQTARISL-UHFFFAOYSA-N 1 0 379.136 4.890 40 0 GJABRO Cc1cc(Nc2cccc(CC3CC[NH+](Cc4cccc(F)c4F)CC3)n2)n[nH]1 ZINC000257314515 212023568 /nfs/dbraw/zinc/02/35/68/212023568.db2.gz UXIIDMCYUKOZNJ-UHFFFAOYSA-N 1 0 397.473 4.590 40 0 GJABRO Cc1noc(C)c1-c1cnc(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)cn1 ZINC000257312568 212021944 /nfs/dbraw/zinc/02/19/44/212021944.db2.gz UOOKECFDYHDTOG-UHFFFAOYSA-N 1 0 399.498 4.676 40 0 GJABRO CSc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004886157 204087679 /nfs/dbraw/zinc/08/76/79/204087679.db2.gz CBCGEOMMSIECBT-IHWFROFDSA-N 1 0 381.545 4.726 40 0 GJABRO CCN(CC)C(=O)C(CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000004416391 204044132 /nfs/dbraw/zinc/04/41/32/204044132.db2.gz YGPJGZXWKXWJSS-UHFFFAOYSA-N 1 0 378.560 4.717 40 0 GJABRO CCOc1cc(C[NH2+]Cc2ccccc2Cl)cc(Br)c1OC ZINC000008253629 204267769 /nfs/dbraw/zinc/26/77/69/204267769.db2.gz WVDIHVAVYUCFES-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO CCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Br)c1OCC ZINC000008253848 204267819 /nfs/dbraw/zinc/26/78/19/204267819.db2.gz NATPONRWSHCYER-UHFFFAOYSA-N 1 0 382.273 4.675 40 0 GJABRO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccc(Cl)cc1Cl ZINC000008373899 204274861 /nfs/dbraw/zinc/27/48/61/204274861.db2.gz DBLMBFIMLWDLAY-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO O=C(COc1ccc2ccccc2c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010281877 204332663 /nfs/dbraw/zinc/33/26/63/204332663.db2.gz XXFOVXNWLKSCER-UHFFFAOYSA-N 1 0 388.511 4.521 40 0 GJABRO CCCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cccc1OC ZINC000012238104 204386210 /nfs/dbraw/zinc/38/62/10/204386210.db2.gz VYGCLWRWVIHNAC-QRQCMCJISA-N 1 0 399.506 4.638 40 0 GJABRO CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)c(C)cc1OC ZINC000012345600 204399007 /nfs/dbraw/zinc/39/90/07/204399007.db2.gz DANJXONNGUFQRI-SVGJNIJCSA-N 1 0 399.506 4.556 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1ccc(-c2cccc(OC)c2)nc1 ZINC000257265407 212014971 /nfs/dbraw/zinc/01/49/71/212014971.db2.gz LYNOIYJEZKLZLU-QHCPKHFHSA-N 1 0 388.515 4.921 40 0 GJABRO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849800 205040381 /nfs/dbraw/zinc/04/03/81/205040381.db2.gz DTRKHABRHYLTMY-OAHLLOKOSA-N 1 0 380.385 4.695 40 0 GJABRO CC1=C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 ZINC000072320816 205031011 /nfs/dbraw/zinc/03/10/11/205031011.db2.gz VJHAZZXGGCKJBR-ACRUOGEOSA-N 1 0 389.547 4.540 40 0 biogenic,in-vitro GJABRO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C ZINC000072320885 205031033 /nfs/dbraw/zinc/03/10/33/205031033.db2.gz NSEXHWYBMBDYDO-ONTIZHBOSA-N 1 0 395.591 4.739 40 0 biogenic,in-vitro GJABRO Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044873400 205087943 /nfs/dbraw/zinc/08/79/43/205087943.db2.gz SCOMQWVDXGLEQT-IBGZPJMESA-N 1 0 382.573 4.778 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000044918615 205090345 /nfs/dbraw/zinc/09/03/45/205090345.db2.gz JRTWPQZASLBWHL-XMSQKQJNSA-N 1 0 392.543 4.951 40 0 GJABRO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000222965839 211816882 /nfs/dbraw/zinc/81/68/82/211816882.db2.gz BBOLRMRREYHALT-GOSISDBHSA-N 1 0 396.531 4.571 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccsc4)C3)n2)c1 ZINC000072369973 205335912 /nfs/dbraw/zinc/33/59/12/205335912.db2.gz CANPQIBYXQVHND-CQSZACIVSA-N 1 0 379.407 4.806 40 0 GJABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000072372462 205336912 /nfs/dbraw/zinc/33/69/12/205336912.db2.gz HOWZKFOSCNPMHE-XMMPIXPASA-N 1 0 390.531 4.543 40 0 GJABRO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000072376767 205337622 /nfs/dbraw/zinc/33/76/22/205337622.db2.gz YBBDRYUFUBPLKB-NRFANRHFSA-N 1 0 392.478 4.601 40 0 GJABRO O=C(N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000072373154 205337855 /nfs/dbraw/zinc/33/78/55/205337855.db2.gz WVOHRVSCLILPLB-GMAHTHKFSA-N 1 0 395.522 4.623 40 0 GJABRO O=C(N[C@@H](C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000072373155 205338724 /nfs/dbraw/zinc/33/87/24/205338724.db2.gz WVOHRVSCLILPLB-GGAORHGYSA-N 1 0 395.522 4.623 40 0 GJABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000223798741 206006643 /nfs/dbraw/zinc/00/66/43/206006643.db2.gz JNPLGFMCYUDJOS-UHFFFAOYSA-N 1 0 394.559 4.995 40 0 GJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000223903131 206008666 /nfs/dbraw/zinc/00/86/66/206008666.db2.gz AOSBLCIKZADGRL-KRWDZBQOSA-N 1 0 384.951 4.992 40 0 GJABRO C[C@@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645651 206025719 /nfs/dbraw/zinc/02/57/19/206025719.db2.gz MYNJLVXKIKEGKD-LJQANCHMSA-N 1 0 382.573 4.611 40 0 GJABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683578 206026484 /nfs/dbraw/zinc/02/64/84/206026484.db2.gz AZDKIRIKMJWNHU-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836488 206029219 /nfs/dbraw/zinc/02/92/19/206029219.db2.gz OQYGXYWBUVHASB-HXUWFJFHSA-N 1 0 394.559 4.880 40 0 GJABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)cc3)CCCCC2)c1 ZINC000225539568 206055059 /nfs/dbraw/zinc/05/50/59/206055059.db2.gz DJOMYOCQISPMRG-UHFFFAOYSA-N 1 0 380.532 4.776 40 0 GJABRO Cc1cccc(Nc2cncc(C3CC[NH+](Cc4ccc(C)c(C)c4)CC3)n2)n1 ZINC000257292146 206175418 /nfs/dbraw/zinc/17/54/18/206175418.db2.gz QKEUWDPGDAYMLI-UHFFFAOYSA-N 1 0 387.531 4.920 40 0 GJABRO CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)OC[C@H]([NH3+])CO ZINC000299888274 206193813 /nfs/dbraw/zinc/19/38/13/206193813.db2.gz CKNOUMOYIGNOBN-MBIUSAQBSA-N 1 0 377.569 4.995 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306144815 206206331 /nfs/dbraw/zinc/20/63/31/206206331.db2.gz ZPFZEOMTVOSFMQ-QFIPXVFZSA-N 1 0 384.483 4.742 40 0 GJABRO COc1ccccc1C[N@@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306143765 206207966 /nfs/dbraw/zinc/20/79/66/206207966.db2.gz YLPVDBCYBDUFHH-NRFANRHFSA-N 1 0 384.483 4.742 40 0 GJABRO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745307 206214872 /nfs/dbraw/zinc/21/48/72/206214872.db2.gz UWADVROSAKPYEC-QDSKXPNFSA-N 1 0 382.592 4.758 40 0 GJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NCC1CC1 ZINC000096052661 211296310 /nfs/dbraw/zinc/29/63/10/211296310.db2.gz SJWQMZRRPZXUMB-LJQANCHMSA-N 1 0 394.584 4.686 40 0 GJABRO CC(C)CC(=O)N[C@H](c1nccs1)C1CCC(C[NH2+]C2CCCC2)CC1 ZINC000072373166 211102928 /nfs/dbraw/zinc/10/29/28/211102928.db2.gz NTDJMDPYDFRBKN-UHYCVJNDSA-N 1 0 377.598 4.685 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072379117 211108096 /nfs/dbraw/zinc/10/80/96/211108096.db2.gz NVAGRUPUFGKYMU-NRFANRHFSA-N 1 0 376.504 4.736 40 0 GJABRO COc1ccc(C[NH+]2CCC(c3cncc(-c4cccc(OC)c4)n3)CC2)cc1 ZINC000072359290 211100260 /nfs/dbraw/zinc/10/02/60/211100260.db2.gz YIEYFZORYHQDGG-UHFFFAOYSA-N 1 0 389.499 4.540 40 0 GJABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000072358389 211098205 /nfs/dbraw/zinc/09/82/05/211098205.db2.gz ZQFYHGSCFLGARE-IBGZPJMESA-N 1 0 377.463 4.671 40 0 GJABRO CC(C)(C)c1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044871954 210815538 /nfs/dbraw/zinc/81/55/38/210815538.db2.gz FGTKEDDPGBNMRV-UHFFFAOYSA-N 1 0 378.560 4.829 40 0 GJABRO C[C@H]1CCC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569772 210347926 /nfs/dbraw/zinc/34/79/26/210347926.db2.gz UWADVROSAKPYEC-TUACAJSNSA-N 1 0 382.592 4.758 40 0 GJABRO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020041921 210313293 /nfs/dbraw/zinc/31/32/93/210313293.db2.gz HGKGKIPYMBKMAY-HSZRJFAPSA-N 1 0 380.532 4.808 40 0 GJABRO O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000001572963 560182539 /nfs/dbraw/zinc/18/25/39/560182539.db2.gz GBOMJGJESBMUBL-SWLSCSKDSA-N 1 0 379.209 4.736 40 0 in-vitro GJABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328975201 570210084 /nfs/dbraw/zinc/21/00/84/570210084.db2.gz FJTGXCQAUFEVJS-UHFFFAOYSA-N 1 0 392.425 4.601 40 0 GJABRO CCC[C@H]1CC[N@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]1Nc1ccccc1 ZINC000585262241 570229653 /nfs/dbraw/zinc/22/96/53/570229653.db2.gz QWJBYQGNFUWMCT-XUZZJYLKSA-N 1 0 391.559 4.916 40 0 GJABRO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccn2)[NH+]2CCCC2)c1C ZINC000001448813 570263534 /nfs/dbraw/zinc/26/35/34/570263534.db2.gz WSRWYTCVZWDOPJ-LJQANCHMSA-N 1 0 381.501 4.790 40 0 GJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000022074794 570305009 /nfs/dbraw/zinc/30/50/09/570305009.db2.gz DIYXFRCDCQZPCT-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000022075176 570305342 /nfs/dbraw/zinc/30/53/42/570305342.db2.gz NBTSOSDJMLMEDT-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039766574 570446038 /nfs/dbraw/zinc/44/60/38/570446038.db2.gz FYBPPJMFJKTACL-UHFFFAOYSA-N 1 0 393.314 4.853 40 0 GJABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260408946 570480198 /nfs/dbraw/zinc/48/01/98/570480198.db2.gz TWYOXYUIWIIMBY-MJGOQNOKSA-N 1 0 383.001 4.982 40 0 GJABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224614286 570520551 /nfs/dbraw/zinc/52/05/51/570520551.db2.gz TWOFJPUWUKLWMO-IBGZPJMESA-N 1 0 394.559 4.664 40 0 GJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224618850 570520741 /nfs/dbraw/zinc/52/07/41/570520741.db2.gz KBQIMYOWELTNPM-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO CCOc1cc(C[NH2+]CCOC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253956 570525849 /nfs/dbraw/zinc/52/58/49/570525849.db2.gz NTCIXZTZHCJZNL-UHFFFAOYSA-N 1 0 384.303 4.707 40 0 GJABRO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471300 570531978 /nfs/dbraw/zinc/53/19/78/570531978.db2.gz ISPNLVPQNVQXQW-OAHLLOKOSA-N 1 0 396.314 4.850 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000225350962 570566458 /nfs/dbraw/zinc/56/64/58/570566458.db2.gz UUNFKNQIGWJVDB-NRFANRHFSA-N 1 0 398.978 4.993 40 0 GJABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000225435985 570573751 /nfs/dbraw/zinc/57/37/51/570573751.db2.gz JMHXEHIPJZEKBM-UHFFFAOYSA-N 1 0 393.906 4.767 40 0 GJABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225519874 570583252 /nfs/dbraw/zinc/58/32/52/570583252.db2.gz GURNEOPYBNRHLS-UHFFFAOYSA-N 1 0 398.522 4.997 40 0 GJABRO O=C(NCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832776 570584602 /nfs/dbraw/zinc/58/46/02/570584602.db2.gz MCRZYBZCQSGTFA-KRWDZBQOSA-N 1 0 377.315 4.522 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225623307 570595582 /nfs/dbraw/zinc/59/55/82/570595582.db2.gz AGLCFDMCQIMPGO-QFIPXVFZSA-N 1 0 378.557 4.721 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000225657408 570599045 /nfs/dbraw/zinc/59/90/45/570599045.db2.gz PITQHXZENWXHFR-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225730548 570610256 /nfs/dbraw/zinc/61/02/56/570610256.db2.gz WMGNRTUKRYXMPA-PWHSHALESA-N 1 0 390.568 4.577 40 0 GJABRO CCOc1cc(C[NH+]2CCC(c3cc4cccnc4[nH]3)CC2)c(C)cc1OC ZINC000012133402 570614036 /nfs/dbraw/zinc/61/40/36/570614036.db2.gz RSPULGWHKQJKKY-UHFFFAOYSA-N 1 0 379.504 4.658 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)o1 ZINC000043277774 570626826 /nfs/dbraw/zinc/62/68/26/570626826.db2.gz RDMWJYMFDPTZEM-UHFFFAOYSA-N 1 0 392.478 4.807 40 0 GJABRO O=C(Nc1ccc(F)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000004887934 570642900 /nfs/dbraw/zinc/64/29/00/570642900.db2.gz LORWTYLDWLFQRZ-SEJPIABJSA-N 1 0 385.458 4.672 40 0 GJABRO CC(C)Oc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044916542 570642956 /nfs/dbraw/zinc/64/29/56/570642956.db2.gz RXLOANJKRBTAGI-UHFFFAOYSA-N 1 0 394.559 4.822 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812541 570707158 /nfs/dbraw/zinc/70/71/58/570707158.db2.gz FXFJOGWUNABMSE-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO CC1(C)[C@H](OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000033534411 570741367 /nfs/dbraw/zinc/74/13/67/570741367.db2.gz RLOYQHMWSVMPSX-KELBGUDLSA-N 1 0 385.592 4.533 40 0 GJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2ccccc2c1 ZINC000006549047 570747282 /nfs/dbraw/zinc/74/72/82/570747282.db2.gz ZACLAIJLHHXESX-UHFFFAOYSA-N 1 0 389.524 4.562 40 0 GJABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000007262312 570757303 /nfs/dbraw/zinc/75/73/03/570757303.db2.gz USIFXOHWANFOJV-UHFFFAOYSA-N 1 0 382.273 4.675 40 0 GJABRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000008469525 570770556 /nfs/dbraw/zinc/77/05/56/570770556.db2.gz HEOPFLJIYRQSOH-UHFFFAOYSA-N 1 0 385.099 4.510 40 0 GJABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569003 570850560 /nfs/dbraw/zinc/85/05/60/570850560.db2.gz BKXWAKHJJCJBIH-GOSISDBHSA-N 1 0 392.474 4.830 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100677 570925385 /nfs/dbraw/zinc/92/53/85/570925385.db2.gz SJEZFLVRCRHDFY-XMMPIXPASA-N 1 0 384.564 4.623 40 0 GJABRO Cc1cccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000019879734 570931093 /nfs/dbraw/zinc/93/10/93/570931093.db2.gz KOZWREIVSBAOII-UHFFFAOYSA-N 1 0 399.538 4.565 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](CCc4ccccc4)C3)n2)c1 ZINC000585172043 570997369 /nfs/dbraw/zinc/99/73/69/570997369.db2.gz LZIFAWGQXOGDGZ-QGZVFWFLSA-N 1 0 387.405 4.787 40 0 GJABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CC1CCCCC1)Cc1ccccc1O2 ZINC000019583981 571014791 /nfs/dbraw/zinc/01/47/91/571014791.db2.gz DVUYWAPAEJETEZ-UHFFFAOYSA-N 1 0 384.564 4.621 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690429 571029076 /nfs/dbraw/zinc/02/90/76/571029076.db2.gz QQGORJYZGCDKAZ-QFIPXVFZSA-N 1 0 388.515 4.555 40 0 GJABRO COc1cc(C)c(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1C ZINC000019567336 210266858 /nfs/dbraw/zinc/26/68/58/210266858.db2.gz YWOKYJUFDPIKRP-IBGZPJMESA-N 1 0 380.492 4.726 40 0 GJABRO OCC[NH2+]CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1 ZINC000016957873 210199696 /nfs/dbraw/zinc/19/96/96/210199696.db2.gz OUGZFJVFHAPYBT-VHXPQNKSSA-N 1 0 393.914 4.803 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C ZINC000012345632 209942889 /nfs/dbraw/zinc/94/28/89/209942889.db2.gz JSIMKAWAIIRDNQ-SVGJNIJCSA-N 1 0 399.506 4.636 40 0 GJABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306135690 212051424 /nfs/dbraw/zinc/05/14/24/212051424.db2.gz OXXDVTNPSCWADQ-SFHVURJKSA-N 1 0 376.435 4.508 40 0 GJABRO O[C@H]1[C@H](Nc2cccc(Oc3ccccc3)c2)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000257315112 212023538 /nfs/dbraw/zinc/02/35/38/212023538.db2.gz UZYLETVQIVCQLA-UBFVSLLYSA-N 1 0 388.511 4.963 40 0 GJABRO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035311817 204167320 /nfs/dbraw/zinc/16/73/20/204167320.db2.gz WTKBULSCTIMOOH-FRIKZZABSA-N 1 0 377.532 4.956 40 0 GJABRO C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH2+]Cc1ccccc1 ZINC000006931373 204225561 /nfs/dbraw/zinc/22/55/61/204225561.db2.gz HKQCBICFBAZMCN-IYMLOVEFSA-N 1 0 391.555 4.769 40 0 GJABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253940 204268205 /nfs/dbraw/zinc/26/82/05/204268205.db2.gz SIANWSBYQWENIA-UHFFFAOYSA-N 1 0 398.330 4.832 40 0 GJABRO COc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000008495446 204278456 /nfs/dbraw/zinc/27/84/56/204278456.db2.gz CIMOAZBGGDRPAP-QGZVFWFLSA-N 1 0 396.314 4.850 40 0 GJABRO c1cnc2ccc(C[NH+]3CCC(c4cccc(Nc5cnccn5)n4)CC3)cc2c1 ZINC000257282240 212016287 /nfs/dbraw/zinc/01/62/87/212016287.db2.gz OSZJBWGTCHMPDK-UHFFFAOYSA-N 1 0 396.498 4.543 40 0 GJABRO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329031240 209157754 /nfs/dbraw/zinc/15/77/54/209157754.db2.gz QHYIJNQADOTTMK-UHFFFAOYSA-N 1 0 392.425 4.636 40 0 GJABRO COc1ccc(CC[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257230729 212006430 /nfs/dbraw/zinc/00/64/30/212006430.db2.gz GDQOMGZTUGYNAH-UHFFFAOYSA-N 1 0 388.515 4.651 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225699515 211917870 /nfs/dbraw/zinc/91/78/70/211917870.db2.gz ZTLSKJDAZGGXMC-QFIPXVFZSA-N 1 0 378.557 4.721 40 0 GJABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCC2)cc1 ZINC000225513073 211903938 /nfs/dbraw/zinc/90/39/38/211903938.db2.gz MSNNGIYAZXPNIB-UHFFFAOYSA-N 1 0 380.532 4.776 40 0 GJABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834711 205039522 /nfs/dbraw/zinc/03/95/22/205039522.db2.gz KJJBFAITBKZXBC-OAHLLOKOSA-N 1 0 380.385 4.695 40 0 GJABRO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038853421 205039969 /nfs/dbraw/zinc/03/99/69/205039969.db2.gz QYAMKPCXNLZICQ-CQSZACIVSA-N 1 0 381.278 4.983 40 0 GJABRO Cc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c[nH]nc1-c1ccccc1 ZINC000036740161 205021465 /nfs/dbraw/zinc/02/14/65/205021465.db2.gz NNTSSOPOLXZFAI-UHFFFAOYSA-N 1 0 385.515 4.674 40 0 GJABRO CN(C)Cc1cc(C[C@@H]2C[C@H]([NH+](Cc3ccco3)Cc3ccco3)C2(C)C)no1 ZINC000072320752 205031162 /nfs/dbraw/zinc/03/11/62/205031162.db2.gz RLXZISMMKNIUJK-VGSWGCGISA-N 1 0 397.519 4.582 40 0 biogenic,in-vitro GJABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 ZINC000044856494 205087387 /nfs/dbraw/zinc/08/73/87/205087387.db2.gz KBHAMXYOIWBQCC-FYYLOGMGSA-N 1 0 382.523 4.922 40 0 GJABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)no1 ZINC000072352780 205331939 /nfs/dbraw/zinc/33/19/39/205331939.db2.gz BOXIEKSUOUGKHM-OEMHODTASA-N 1 0 393.531 4.630 40 0 GJABRO Fc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000072369950 205335502 /nfs/dbraw/zinc/33/55/02/205335502.db2.gz PBSNXZWMVKKREJ-OAHLLOKOSA-N 1 0 391.368 4.884 40 0 GJABRO Fc1cccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369968 205336446 /nfs/dbraw/zinc/33/64/46/205336446.db2.gz HIILOTCVBLTGSW-OAHLLOKOSA-N 1 0 391.368 4.884 40 0 GJABRO CCCCCC(=O)OC[C@@H](O)[C@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897176 206006449 /nfs/dbraw/zinc/00/64/49/206006449.db2.gz UEFOKZSZDQVRSZ-NZQKXSOJSA-N 1 0 383.532 4.562 40 0 GJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782667 206028131 /nfs/dbraw/zinc/02/81/31/206028131.db2.gz KVHWODUTLCMKIY-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc(N2CCCCC2)cc1 ZINC000224827473 206028530 /nfs/dbraw/zinc/02/85/30/206028530.db2.gz ULVBOOBDIHSRLM-UHFFFAOYSA-N 1 0 391.559 4.593 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225711475 206069642 /nfs/dbraw/zinc/06/96/42/206069642.db2.gz JFYWRMOOLPLKBJ-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225607438 206061273 /nfs/dbraw/zinc/06/12/73/206061273.db2.gz KNKNMKHCVSYEPN-QHCPKHFHSA-N 1 0 390.568 4.577 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 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JDEGDTFOYAKVBX-HSZRJFAPSA-N 1 0 384.470 4.512 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359132 211101521 /nfs/dbraw/zinc/10/15/21/211101521.db2.gz AQHCOTZDWIEHLV-QGZVFWFLSA-N 1 0 393.922 4.613 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359812 211100633 /nfs/dbraw/zinc/10/06/33/211100633.db2.gz OZSZIHBJNKCKOO-QGZVFWFLSA-N 1 0 393.922 4.613 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353980 211099305 /nfs/dbraw/zinc/09/93/05/211099305.db2.gz AUEGDZMJTOTZPO-OAQYLSRUSA-N 1 0 392.522 4.541 40 0 GJABRO COc1cc2ccccc2cc1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875365 210815603 /nfs/dbraw/zinc/81/56/03/210815603.db2.gz GLFUPPJHOHWWRK-UHFFFAOYSA-N 1 0 388.511 4.764 40 0 GJABRO FC(F)(F)c1nc(C2(c3ccccc3)CC[NH+](Cc3ccccc3)CC2)no1 ZINC000020522459 210344465 /nfs/dbraw/zinc/34/44/65/210344465.db2.gz XDNSQEBNWJTKPP-UHFFFAOYSA-N 1 0 387.405 4.671 40 0 GJABRO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408985960 528617819 /nfs/dbraw/zinc/61/78/19/528617819.db2.gz BNFTXNVSNAYZDA-IBGZPJMESA-N 1 0 384.476 4.597 40 0 GJABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329012638 570212044 /nfs/dbraw/zinc/21/20/44/570212044.db2.gz MLLIZMSLDVKJIY-UHFFFAOYSA-N 1 0 392.425 4.601 40 0 GJABRO O[C@@H](C[C@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568068 570264948 /nfs/dbraw/zinc/26/49/48/570264948.db2.gz YZLLVZLRDRSNKO-YGRLFVJLSA-N 1 0 392.343 4.838 40 0 GJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075091 570305271 /nfs/dbraw/zinc/30/52/71/570305271.db2.gz GXZGYXXBIMFBTQ-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO CCOc1cccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076889 570320903 /nfs/dbraw/zinc/32/09/03/570320903.db2.gz FIDVHXZAKYEHDZ-DVECYGJZSA-N 1 0 391.511 4.876 40 0 GJABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000219404633 570358861 /nfs/dbraw/zinc/35/88/61/570358861.db2.gz CCTIXIUYYNGSDX-UHFFFAOYSA-N 1 0 378.560 4.771 40 0 GJABRO O=C(Nc1cccc2ccccc21)OCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000004823079 570408841 /nfs/dbraw/zinc/40/88/41/570408841.db2.gz CMBPFITZIWYKHP-UHFFFAOYSA-N 1 0 389.499 4.601 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047947 570425831 /nfs/dbraw/zinc/42/58/31/570425831.db2.gz DSDOVAAVIZFCDR-ILZLQZNLSA-N 1 0 381.601 4.501 40 0 GJABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039758459 570449387 /nfs/dbraw/zinc/44/93/87/570449387.db2.gz GISSIGQCVSXQBF-UHFFFAOYSA-N 1 0 384.951 4.609 40 0 GJABRO CCCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223502137 570468651 /nfs/dbraw/zinc/46/86/51/570468651.db2.gz FPBADLLAYPZQRT-CQSZACIVSA-N 1 0 390.578 4.524 40 0 GJABRO COc1c(Cl)cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000006627287 570485383 /nfs/dbraw/zinc/48/53/83/570485383.db2.gz IJGMWARJFVQSSU-UHFFFAOYSA-N 1 0 379.287 4.850 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)c(C)c1 ZINC000224550375 570517689 /nfs/dbraw/zinc/51/76/89/570517689.db2.gz WPGFEKPYUXYFEW-QHCPKHFHSA-N 1 0 394.559 4.792 40 0 GJABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224640702 570521939 /nfs/dbraw/zinc/52/19/39/570521939.db2.gz VYQGMNCRNHFCTQ-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccccc1Cl ZINC000008254112 570526090 /nfs/dbraw/zinc/52/60/90/570526090.db2.gz DVGGLWJXUHBCHD-UHFFFAOYSA-N 1 0 397.346 4.670 40 0 GJABRO CC(C)(C)NC(=O)COc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000008534525 570533277 /nfs/dbraw/zinc/53/32/77/570533277.db2.gz SUQPSVQGNPUQQF-SFWXWQOYSA-N 1 0 398.591 4.819 40 0 GJABRO CCn1c(C[NH+]2CCC3(CC2)Nc2ccccc2-n2cccc23)nc2ccccc21 ZINC000012115974 570610925 /nfs/dbraw/zinc/61/09/25/570610925.db2.gz CZOYGSOMFVKNJX-UHFFFAOYSA-N 1 0 397.526 4.764 40 0 GJABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225745503 570612284 /nfs/dbraw/zinc/61/22/84/570612284.db2.gz MPWNBDWNPUGFOZ-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225749528 570612945 /nfs/dbraw/zinc/61/29/45/570612945.db2.gz GOVDWUSYIDZFGH-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO C[NH+](C)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccccc2)cs1 ZINC000004188871 570621968 /nfs/dbraw/zinc/62/19/68/570621968.db2.gz MKQULIMVIVSKAS-UHFFFAOYSA-N 1 0 383.492 4.548 40 0 GJABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875352 570637686 /nfs/dbraw/zinc/63/76/86/570637686.db2.gz DWMLVNWWXGVXEF-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303050 570653768 /nfs/dbraw/zinc/65/37/68/570653768.db2.gz GCXNGFKZDYTSLF-UHFFFAOYSA-N 1 0 377.532 4.528 40 0 GJABRO C[NH+](C)CC(C)(C)CNc1c2c(nc3cc(-c4ccc(Cl)cc4)nn31)CCC2 ZINC000004980239 570655941 /nfs/dbraw/zinc/65/59/41/570655941.db2.gz ILHYTUKXAGZKPL-UHFFFAOYSA-N 1 0 397.954 4.538 40 0 GJABRO CCc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000260759583 570703503 /nfs/dbraw/zinc/70/35/03/570703503.db2.gz BXCQTOJTKKQVJU-UTKZUKDTSA-N 1 0 384.951 4.992 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812423 570707267 /nfs/dbraw/zinc/70/72/67/570707267.db2.gz BFZAJVMNDAMSDN-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260814475 570707843 /nfs/dbraw/zinc/70/78/43/570707843.db2.gz JCGZFCDAZCCAPF-LJQANCHMSA-N 1 0 388.552 4.618 40 0 GJABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814458 570707873 /nfs/dbraw/zinc/70/78/73/570707873.db2.gz IMMUUUFMRMEUBZ-XXBNENTESA-N 1 0 390.568 4.720 40 0 GJABRO CC1CC[NH+](CCCNC(=O)c2ccccc2SCc2ccccc2)CC1 ZINC000013613215 570762894 /nfs/dbraw/zinc/76/28/94/570762894.db2.gz ABWZBUMGNUQXJB-UHFFFAOYSA-N 1 0 382.573 4.831 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3C)c(OC)c2)cc1 ZINC000016362784 570923495 /nfs/dbraw/zinc/92/34/95/570923495.db2.gz URVVUNMUEZLRLF-UHFFFAOYSA-N 1 0 391.511 4.924 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100874 570928600 /nfs/dbraw/zinc/92/86/00/570928600.db2.gz ZWLJDNFTWKQLJH-RUZDIDTESA-N 1 0 392.543 4.551 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019564325 571006883 /nfs/dbraw/zinc/00/68/83/571006883.db2.gz LJDFZTNLTCQQAO-OAHLLOKOSA-N 1 0 387.430 4.857 40 0 GJABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCCC3)CC[C@@H]21 ZINC000019406577 210249465 /nfs/dbraw/zinc/24/94/65/210249465.db2.gz QWKVYPJHEHPVCR-FKBYEOEOSA-N 1 0 386.605 4.887 40 0 GJABRO O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011962 209757358 /nfs/dbraw/zinc/75/73/58/209757358.db2.gz ATTSXBALTQHDCN-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCC[NH2+]1 ZINC000001572962 209332436 /nfs/dbraw/zinc/33/24/36/209332436.db2.gz GBOMJGJESBMUBL-WFASDCNBSA-N 1 0 379.209 4.736 40 0 in-vitro GJABRO CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)OC[C@H]([NH3+])CO ZINC000299888273 212040370 /nfs/dbraw/zinc/04/03/70/212040370.db2.gz CKNOUMOYIGNOBN-FHTDAKRTSA-N 1 0 377.569 4.995 40 0 GJABRO CCN1CC2(CCC([N@H+](C)C[C@H]3CC=CCC3)CC2)Oc2ccccc2C1=O ZINC000257312695 212022040 /nfs/dbraw/zinc/02/20/40/212022040.db2.gz UPEHTLABULOEEQ-HDJSMCDHSA-N 1 0 382.548 4.511 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257302696 212019539 /nfs/dbraw/zinc/01/95/39/212019539.db2.gz SDXUBYLXLUALSD-IBGZPJMESA-N 1 0 398.510 4.966 40 0 GJABRO Cc1nc2cc(-c3cccc(Cl)c3)nn2c(NCC(C)(C)C[NH+](C)C)c1C ZINC000004980203 204099544 /nfs/dbraw/zinc/09/95/44/204099544.db2.gz DTSYPAPIKNLFAK-UHFFFAOYSA-N 1 0 385.943 4.666 40 0 GJABRO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@H+](CC3CC3)[C@H]1CCCCC(=O)N2 ZINC000257287972 212017727 /nfs/dbraw/zinc/01/77/27/212017727.db2.gz PSGMFHDQPWYKGT-BJLQDIEVSA-N 1 0 380.454 4.680 40 0 GJABRO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470424 204277262 /nfs/dbraw/zinc/27/72/62/204277262.db2.gz JSYTWZFXTCOLIT-MRXNPFEDSA-N 1 0 396.314 4.850 40 0 GJABRO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257261073 212011803 /nfs/dbraw/zinc/01/18/03/212011803.db2.gz LFPVAPLJXAGUPP-QFIPXVFZSA-N 1 0 385.471 4.634 40 0 GJABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)C4CCCC4)C3)c2)cc1 ZINC000257203297 212000853 /nfs/dbraw/zinc/00/08/53/212000853.db2.gz APKPCSZDOYEIMJ-GOSISDBHSA-N 1 0 379.504 4.648 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1(c2ccccc2)CCCC1 ZINC000224700959 211870598 /nfs/dbraw/zinc/87/05/98/211870598.db2.gz LYWBTXIWHWOLLX-UHFFFAOYSA-N 1 0 376.544 4.801 40 0 GJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872526 205088683 /nfs/dbraw/zinc/08/86/83/205088683.db2.gz PAHJDPWIXFHTNN-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000223332077 211829415 /nfs/dbraw/zinc/82/94/15/211829415.db2.gz NKSZFOPBBCMBAL-UHFFFAOYSA-N 1 0 378.560 4.648 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350258 205330340 /nfs/dbraw/zinc/33/03/40/205330340.db2.gz RLAMCRBCSZSYID-IBGZPJMESA-N 1 0 388.515 4.574 40 0 GJABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072355476 205331723 /nfs/dbraw/zinc/33/17/23/205331723.db2.gz UCEIBXLXBUTULG-OAQYLSRUSA-N 1 0 389.547 4.598 40 0 GJABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683031 206026400 /nfs/dbraw/zinc/02/64/00/206026400.db2.gz FYJRYCYXLNLLNJ-DEOSSOPVSA-N 1 0 394.559 4.763 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000224747602 206028085 /nfs/dbraw/zinc/02/80/85/206028085.db2.gz POCOTXCARZEBLY-UHFFFAOYSA-N 1 0 384.951 4.690 40 0 GJABRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000224852162 206029719 /nfs/dbraw/zinc/02/97/19/206029719.db2.gz WPPBPHNXLLCINH-UHFFFAOYSA-N 1 0 376.544 4.801 40 0 GJABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCC2)c1 ZINC000225509556 206053538 /nfs/dbraw/zinc/05/35/38/206053538.db2.gz UZQHMCKFHAGDBL-UHFFFAOYSA-N 1 0 392.543 4.920 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225623293 206062539 /nfs/dbraw/zinc/06/25/39/206062539.db2.gz AGLCFDMCQIMPGO-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225745524 206073258 /nfs/dbraw/zinc/07/32/58/206073258.db2.gz MPWNBDWNPUGFOZ-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCN1CC2(CCC([N@H+](C)CC3CCCCC3)CC2)Oc2ccccc2C1=O ZINC000257201319 206157453 /nfs/dbraw/zinc/15/74/53/206157453.db2.gz AHDNMMGXWGZCQX-UHFFFAOYSA-N 1 0 384.564 4.735 40 0 GJABRO CC(C)C[NH+]1CCC(Cc2ccc(-c3cccnc3)cc2)(C(=O)NC(C)C)CC1 ZINC000257208158 206159059 /nfs/dbraw/zinc/15/90/59/206159059.db2.gz BKZOMBFGUOADCY-UHFFFAOYSA-N 1 0 393.575 4.554 40 0 GJABRO Fc1cccc(N[C@@H]2CC[N@H+](Cc3ncccc3F)C[C@@H]2Cc2ccccc2)c1 ZINC000257288194 206173204 /nfs/dbraw/zinc/17/32/04/206173204.db2.gz PTHFIVKXZBPSRR-WMZHIEFXSA-N 1 0 393.481 4.905 40 0 GJABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257285827 206173949 /nfs/dbraw/zinc/17/39/49/206173949.db2.gz PJAOZKJXKJQJHM-CVDCTZTESA-N 1 0 397.588 4.521 40 0 GJABRO CCN1CC2(CCC([N@H+](C)C[C@@H]3CC=CCC3)CC2)Oc2ccccc2C1=O ZINC000257312696 206177987 /nfs/dbraw/zinc/17/79/87/206177987.db2.gz UPEHTLABULOEEQ-KDARRYODSA-N 1 0 382.548 4.511 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)s1 ZINC000096100271 211303042 /nfs/dbraw/zinc/30/30/42/211303042.db2.gz AKTWIBLGIBDTGQ-OAQYLSRUSA-N 1 0 380.557 4.632 40 0 GJABRO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380369 211107951 /nfs/dbraw/zinc/10/79/51/211107951.db2.gz OZSFXZHPZNGIJS-QHCPKHFHSA-N 1 0 384.483 4.971 40 0 GJABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000072374919 211106531 /nfs/dbraw/zinc/10/65/31/211106531.db2.gz KQERNYXALLNMQR-LJQANCHMSA-N 1 0 378.520 4.733 40 0 GJABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)C3CCCC3)C2)[nH+]1 ZINC000072374920 211104814 /nfs/dbraw/zinc/10/48/14/211104814.db2.gz KQERNYXALLNMQR-IBGZPJMESA-N 1 0 378.520 4.733 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072350248 211096337 /nfs/dbraw/zinc/09/63/37/211096337.db2.gz XRHLSGNBKNKUIV-GOSISDBHSA-N 1 0 376.479 4.620 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000020044915 210314689 /nfs/dbraw/zinc/31/46/89/210314689.db2.gz AKRBXFCRANQGLD-WZONZLPQSA-N 1 0 380.532 4.808 40 0 GJABRO CC[C@H](C[NH+]1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C ZINC000019654432 210276734 /nfs/dbraw/zinc/27/67/34/210276734.db2.gz XLLWPQGSENBLAU-OAQYLSRUSA-N 1 0 377.536 4.540 40 0 GJABRO CCOc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076362 528283383 /nfs/dbraw/zinc/28/33/83/528283383.db2.gz MTZMEPSUWXUKKI-HXOBKFHXSA-N 1 0 397.540 4.938 40 0 GJABRO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408989113 528617546 /nfs/dbraw/zinc/61/75/46/528617546.db2.gz JXNZLYDTHIAZRQ-LJQANCHMSA-N 1 0 384.476 4.597 40 0 GJABRO O=C1OC[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)Cc3ccc(F)cc3N12 ZINC000225486970 560042660 /nfs/dbraw/zinc/04/26/60/560042660.db2.gz JEKNRYHMROGXJN-KRWDZBQOSA-N 1 0 394.368 4.576 40 0 biogenic,in-vitro GJABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000329052523 570215289 /nfs/dbraw/zinc/21/52/89/570215289.db2.gz VBZNJHUYHOASGH-UHFFFAOYSA-N 1 0 389.547 4.714 40 0 GJABRO Cc1ccc(CSCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020108387 570240367 /nfs/dbraw/zinc/24/03/67/570240367.db2.gz AFGUABRJOMGHHK-UHFFFAOYSA-N 1 0 396.600 4.890 40 0 GJABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc21 ZINC000001621218 570266068 /nfs/dbraw/zinc/26/60/68/570266068.db2.gz SDWAOYLQQLXJHY-QFIPXVFZSA-N 1 0 384.907 4.939 40 0 GJABRO CC(C)[NH+](CCOC(=O)c1cc(Cl)cc(-c2ccccc2)c1O)C(C)C ZINC000001683575 570267298 /nfs/dbraw/zinc/26/72/98/570267298.db2.gz YMESKIFTLSLBAH-UHFFFAOYSA-N 1 0 375.896 4.988 40 0 GJABRO COc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCCC3)cc1 ZINC000005744906 570273427 /nfs/dbraw/zinc/27/34/27/570273427.db2.gz ORXIUIGRGHMYNF-UHFFFAOYSA-N 1 0 398.324 4.929 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000222974454 570434258 /nfs/dbraw/zinc/43/42/58/570434258.db2.gz GZNDALYAUSRWOW-FQEVSTJZSA-N 1 0 390.571 4.963 40 0 GJABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039759043 570450029 /nfs/dbraw/zinc/45/00/29/570450029.db2.gz YFOFNXRUVVPEQZ-UHFFFAOYSA-N 1 0 384.951 4.609 40 0 GJABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000223213316 570450229 /nfs/dbraw/zinc/45/02/29/570450229.db2.gz GSWWDFXTXDVUCL-MOPGFXCFSA-N 1 0 376.544 4.898 40 0 GJABRO Cc1cc(C)c(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c(C)c1 ZINC000242458609 570455852 /nfs/dbraw/zinc/45/58/52/570455852.db2.gz BPZPWAOOOFAGHK-UHFFFAOYSA-N 1 0 375.520 4.786 40 0 GJABRO CCc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000244404560 570458398 /nfs/dbraw/zinc/45/83/98/570458398.db2.gz YMHGWAHOBLCAMR-UHFFFAOYSA-N 1 0 375.520 4.732 40 0 GJABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 ZINC000257243080 570487801 /nfs/dbraw/zinc/48/78/01/570487801.db2.gz IFJWHIVWLJRCBX-XMMPIXPASA-N 1 0 378.516 4.581 40 0 GJABRO CCOc1c(Br)cc(Br)cc1C[NH2+]C1CCCC1 ZINC000008253302 570525767 /nfs/dbraw/zinc/52/57/67/570525767.db2.gz BXEMYMWQDWMKGE-UHFFFAOYSA-N 1 0 377.120 4.643 40 0 GJABRO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008373831 570529615 /nfs/dbraw/zinc/52/96/15/570529615.db2.gz DLSAIXUAOSERTN-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225656980 570598944 /nfs/dbraw/zinc/59/89/44/570598944.db2.gz SMDWPNKLAPVMEO-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225738689 570611456 /nfs/dbraw/zinc/61/14/56/570611456.db2.gz ASDCRBYWEXGYHB-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000225762316 570614426 /nfs/dbraw/zinc/61/44/26/570614426.db2.gz KMZJAUQKAXVVSV-UHFFFAOYSA-N 1 0 398.978 4.993 40 0 GJABRO C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030943683 570630409 /nfs/dbraw/zinc/63/04/09/570630409.db2.gz YOUPGUBFZYNQOW-NQIIRXRSSA-N 1 0 384.951 4.690 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856864 570637248 /nfs/dbraw/zinc/63/72/48/570637248.db2.gz LTRAFLQKUNMKHI-OAQYLSRUSA-N 1 0 396.531 4.571 40 0 GJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872530 570637602 /nfs/dbraw/zinc/63/76/02/570637602.db2.gz PAHJDPWIXFHTNN-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)c1 ZINC000004883064 570642912 /nfs/dbraw/zinc/64/29/12/570642912.db2.gz UEMGPHWYXVNMON-SEJPIABJSA-N 1 0 397.494 4.542 40 0 GJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ncoc1-c1cccc(F)c1 ZINC000012338303 570645110 /nfs/dbraw/zinc/64/51/10/570645110.db2.gz HUAXJQISHFLYKA-UHFFFAOYSA-N 1 0 379.435 4.719 40 0 GJABRO CCOC(=O)c1ccc2[nH]c(C)c(C[N@@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714054 570680818 /nfs/dbraw/zinc/68/08/18/570680818.db2.gz SXKHQFSIQGLBMT-XDHUDOTRSA-N 1 0 396.531 4.826 40 0 GJABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816720 570707371 /nfs/dbraw/zinc/70/73/71/570707371.db2.gz OAZWJTUCPRYOBI-LJQANCHMSA-N 1 0 388.552 4.618 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814729 570707890 /nfs/dbraw/zinc/70/78/90/570707890.db2.gz MYCDEBUDJMHQMK-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO COc1cc(C[NH2+]CC(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000006883533 570752625 /nfs/dbraw/zinc/75/26/25/570752625.db2.gz BANNNEYIZOESFC-UHFFFAOYSA-N 1 0 396.300 4.921 40 0 GJABRO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCCCCC2)c2ccccc2)cc1 ZINC000013669064 570769939 /nfs/dbraw/zinc/76/99/39/570769939.db2.gz MIJINVUFXQOVMY-HIXSDJFHSA-N 1 0 392.543 4.618 40 0 GJABRO CCn1ncc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000013992606 570868890 /nfs/dbraw/zinc/86/88/90/570868890.db2.gz VDHNHNOXIXXQCC-UHFFFAOYSA-N 1 0 386.559 4.662 40 0 GJABRO COc1ccccc1C1(O)CC[NH+](Cc2cn(C(C)C)c3ccccc23)CC1 ZINC000019454801 570986493 /nfs/dbraw/zinc/98/64/93/570986493.db2.gz TYRYGRROZFLIGU-UHFFFAOYSA-N 1 0 378.516 4.714 40 0 GJABRO COc1ccc(C2([NH2+]Cc3cccc(Oc4ncccn4)c3)CCCC2)cc1 ZINC000019553799 571002541 /nfs/dbraw/zinc/00/25/41/571002541.db2.gz IGDTXIVCSHTTTQ-UHFFFAOYSA-N 1 0 375.472 4.837 40 0 GJABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1cccs1)CC2 ZINC000096052525 571097619 /nfs/dbraw/zinc/09/76/19/571097619.db2.gz YGEFNSPGWMWVAK-UHFFFAOYSA-N 1 0 388.536 4.829 40 0 GJABRO COc1ccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 ZINC000019565028 210265430 /nfs/dbraw/zinc/26/54/30/210265430.db2.gz HCKUHMZSXCBSJR-UHFFFAOYSA-N 1 0 387.430 4.857 40 0 GJABRO CCCOc1c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cccc1OC ZINC000019503802 210255346 /nfs/dbraw/zinc/25/53/46/210255346.db2.gz SDKFYORYJCSWFG-GOSISDBHSA-N 1 0 379.504 4.740 40 0 GJABRO O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Br)ccc1Cl ZINC000017080462 230897946 /nfs/dbraw/zinc/89/79/46/230897946.db2.gz YISIQURUXSUTQW-UHFFFAOYSA-N 1 0 393.712 4.951 40 0 GJABRO CC(C)[N@@H+]1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019447760 210248316 /nfs/dbraw/zinc/24/83/16/210248316.db2.gz BLUGUBRQZZPIEJ-LBPRGKRZSA-N 1 0 380.439 4.674 40 0 GJABRO OC1(c2ccccc2F)CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000019347965 210243175 /nfs/dbraw/zinc/24/31/75/210243175.db2.gz VIUDPPZTPGHBDC-UHFFFAOYSA-N 1 0 393.506 4.843 40 0 GJABRO Cc1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000015230857 210153462 /nfs/dbraw/zinc/15/34/62/210153462.db2.gz ALUGMCSFUIYZJM-NRFANRHFSA-N 1 0 389.441 4.664 40 0 GJABRO C[C@@H](CCc1ccccc1)[NH+]1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000014000525 210099410 /nfs/dbraw/zinc/09/94/10/210099410.db2.gz CCOYZQRQVWLRRO-SFHVURJKSA-N 1 0 397.950 4.538 40 0 GJABRO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)ccc21 ZINC000001671671 209335765 /nfs/dbraw/zinc/33/57/65/209335765.db2.gz OVNXSTVJRQJZGD-QFIPXVFZSA-N 1 0 384.907 4.939 40 0 GJABRO C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000001613467 209334107 /nfs/dbraw/zinc/33/41/07/209334107.db2.gz PRFUPRUDNALXIZ-UHFFFAOYSA-N 1 0 395.506 4.860 40 0 GJABRO CCC[C@@H](C)c1ccc(OCCCCC[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000004692029 204064783 /nfs/dbraw/zinc/06/47/83/204064783.db2.gz PMAADNDAJIXMNH-HXUWFJFHSA-N 1 0 390.568 4.913 40 0 GJABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006869547 204217657 /nfs/dbraw/zinc/21/76/57/204217657.db2.gz MQXWCOJGAJTMKR-UHFFFAOYSA-N 1 0 385.515 4.841 40 0 GJABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000012116128 204372691 /nfs/dbraw/zinc/37/26/91/204372691.db2.gz FLOYVMOSBALPQG-FQEVSTJZSA-N 1 0 392.503 4.509 40 0 GJABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225715688 211920286 /nfs/dbraw/zinc/92/02/86/211920286.db2.gz JACAQXOYTCEJSS-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038857370 205041415 /nfs/dbraw/zinc/04/14/15/205041415.db2.gz NJSKAOXAGMFJME-QGZVFWFLSA-N 1 0 377.315 4.522 40 0 GJABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000044912296 205090590 /nfs/dbraw/zinc/09/05/90/205090590.db2.gz MBPXYVHZEMXNHR-QGZVFWFLSA-N 1 0 391.342 4.830 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000222900955 211815470 /nfs/dbraw/zinc/81/54/70/211815470.db2.gz ZKVSIZBQXCRVRK-UHFFFAOYSA-N 1 0 384.951 4.690 40 0 GJABRO CC[NH+](CC)CCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022075923 211752948 /nfs/dbraw/zinc/75/29/48/211752948.db2.gz XTNNEHHRNPMDMG-UHFFFAOYSA-N 1 0 380.507 4.989 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)cc1 ZINC000223793278 206005488 /nfs/dbraw/zinc/00/54/88/206005488.db2.gz FAEBMKZEIOEWSP-UHFFFAOYSA-N 1 0 394.559 4.526 40 0 GJABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000223786188 206006207 /nfs/dbraw/zinc/00/62/07/206006207.db2.gz AOKURFZCEWOVRQ-HXUWFJFHSA-N 1 0 394.559 4.851 40 0 GJABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682988 206026368 /nfs/dbraw/zinc/02/63/68/206026368.db2.gz FYJRYCYXLNLLNJ-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225619536 206061019 /nfs/dbraw/zinc/06/10/19/206061019.db2.gz JWNLVBXRLZPCCT-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225738648 206072477 /nfs/dbraw/zinc/07/24/77/206072477.db2.gz SEYDJNUIEGQQLF-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CC1=C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 ZINC000030883575 206082590 /nfs/dbraw/zinc/08/25/90/206082590.db2.gz MGJVBLWNXOIENF-ACRUOGEOSA-N 1 0 396.579 4.949 40 0 biogenic,in-vitro GJABRO Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@H+]3C)cn1 ZINC000257221961 206161331 /nfs/dbraw/zinc/16/13/31/206161331.db2.gz DRHLMJNGDXTZSB-FIXSFTCYSA-N 1 0 377.532 4.610 40 0 GJABRO CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](Cc4cccnc4)CC3)C[C@@H]21 ZINC000257339971 206181766 /nfs/dbraw/zinc/18/17/66/206181766.db2.gz ZDYPMMMIRKRPHU-RBBKRZOGSA-N 1 0 378.516 4.613 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306144814 206207510 /nfs/dbraw/zinc/20/75/10/206207510.db2.gz ZPFZEOMTVOSFMQ-JOCHJYFZSA-N 1 0 384.483 4.742 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306133064 206201791 /nfs/dbraw/zinc/20/17/91/206201791.db2.gz MARXUVAKKSIHFW-QFIPXVFZSA-N 1 0 384.483 4.742 40 0 GJABRO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627688 211345345 /nfs/dbraw/zinc/34/53/45/211345345.db2.gz WMNASJRPHONPBO-OAHLLOKOSA-N 1 0 396.384 4.575 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000096316420 211333597 /nfs/dbraw/zinc/33/35/97/211333597.db2.gz HLKCYOOWMVLNED-VIPRWQQZSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO CCc1nnc(Nc2cccc(C3CC[NH+](CCc4ccccc4)CC3)n2)s1 ZINC000072376131 211106276 /nfs/dbraw/zinc/10/62/76/211106276.db2.gz RANFQZRVSNWEJO-UHFFFAOYSA-N 1 0 393.560 4.661 40 0 GJABRO CCc1nnc(Nc2cccc([C@H]3CCC[N@H+](CCc4ccccc4)C3)n2)s1 ZINC000072375938 211105917 /nfs/dbraw/zinc/10/59/17/211105917.db2.gz DFDAQNQVMCWFAR-SFHVURJKSA-N 1 0 393.560 4.661 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358567 211099330 /nfs/dbraw/zinc/09/93/30/211099330.db2.gz RPSRVNYFBNQJNC-GOSISDBHSA-N 1 0 398.432 4.937 40 0 GJABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000072358388 211098722 /nfs/dbraw/zinc/09/87/22/211098722.db2.gz ZQFYHGSCFLGARE-LJQANCHMSA-N 1 0 377.463 4.671 40 0 GJABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350653 211096525 /nfs/dbraw/zinc/09/65/25/211096525.db2.gz NMUKASUATLUVPG-OAQYLSRUSA-N 1 0 389.547 4.598 40 0 GJABRO Cc1nc([C@H]2CC[N@@H+](C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753421 210292507 /nfs/dbraw/zinc/29/25/07/210292507.db2.gz QRCPWHMIRJBENU-INIZCTEOSA-N 1 0 398.938 4.813 40 0 GJABRO Cc1cc(-c2cn[nH]c2)cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000019692205 210282606 /nfs/dbraw/zinc/28/26/06/210282606.db2.gz RWVAWOKSNAGSRC-UHFFFAOYSA-N 1 0 383.499 4.708 40 0 GJABRO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718225 136153825 /nfs/dbraw/zinc/15/38/25/136153825.db2.gz DVDOBZIIFOFVAV-ROUUACIJSA-N 1 0 375.516 4.931 40 0 GJABRO FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169867 560084648 /nfs/dbraw/zinc/08/46/48/560084648.db2.gz AMWFVWQZBKNUCV-KRWDZBQOSA-N 1 0 387.405 4.669 40 0 biogenic,in-vitro GJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000022074792 570304991 /nfs/dbraw/zinc/30/49/91/570304991.db2.gz DIYXFRCDCQZPCT-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO CCOc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075650 570305231 /nfs/dbraw/zinc/30/52/31/570305231.db2.gz HGFUMMAWXGPQTK-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1ccccc1Cl ZINC000022075382 570321792 /nfs/dbraw/zinc/32/17/92/570321792.db2.gz NIOIVHWXDJNLIV-UHFFFAOYSA-N 1 0 390.955 4.749 40 0 GJABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)n2)n1 ZINC000072376422 570340495 /nfs/dbraw/zinc/34/04/95/570340495.db2.gz MAIZTOAYVHTJRP-JOCHJYFZSA-N 1 0 398.514 4.752 40 0 GJABRO Cc1cc(C)n2nc(C3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)cc2n1 ZINC000057740615 570369213 /nfs/dbraw/zinc/36/92/13/570369213.db2.gz LZWCXZJNVCTIDJ-UHFFFAOYSA-N 1 0 388.437 4.745 40 0 GJABRO CCc1cccc2c(CN(Cc3cccnc3)C[C@H]3CCC[N@H+]3CC)c[nH]c21 ZINC000022931807 570379520 /nfs/dbraw/zinc/37/95/20/570379520.db2.gz QWCSIGIPBVAWRY-JOCHJYFZSA-N 1 0 376.548 4.612 40 0 GJABRO CC1(C)CC(NCC(=O)N2c3ccccc3C=Cc3ccccc32)CC(C)(C)[NH2+]1 ZINC000004644964 570389031 /nfs/dbraw/zinc/38/90/31/570389031.db2.gz HDNMHQRKVIYXHH-UHFFFAOYSA-N 1 0 389.543 4.734 40 0 GJABRO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039742366 570447072 /nfs/dbraw/zinc/44/70/72/570447072.db2.gz COLWSYWJFVFFST-UHFFFAOYSA-N 1 0 381.278 4.983 40 0 GJABRO C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC=C3C[C@H](O)CC[C@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253590294 570484261 /nfs/dbraw/zinc/48/42/61/570484261.db2.gz FNIVMUUUMKIEAO-OMJYZVIXSA-N 1 0 399.619 4.897 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C(C)C)CC2)c1 ZINC000223793205 570484735 /nfs/dbraw/zinc/48/47/35/570484735.db2.gz IRHQJLQZOGLBCM-UHFFFAOYSA-N 1 0 394.559 4.526 40 0 GJABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006617319 570485399 /nfs/dbraw/zinc/48/53/99/570485399.db2.gz RLOYQHMWSVMPSX-XJTUCQONSA-N 1 0 385.592 4.533 40 0 GJABRO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)OCC[NH+]3CCCCC3)cc12 ZINC000000848928 570494028 /nfs/dbraw/zinc/49/40/28/570494028.db2.gz KVTJJGDRQCUHGD-UHFFFAOYSA-N 1 0 390.527 4.949 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000224544777 570517860 /nfs/dbraw/zinc/51/78/60/570517860.db2.gz DDIZCDIDMNQHOG-UHFFFAOYSA-N 1 0 390.449 4.542 40 0 GJABRO CC(C)(C)c1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224675416 570523839 /nfs/dbraw/zinc/52/38/39/570523839.db2.gz JSWKSOBBHOYICK-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000008326359 570528286 /nfs/dbraw/zinc/52/82/86/570528286.db2.gz OGPIJKBOIYWCGW-KRWDZBQOSA-N 1 0 398.330 4.832 40 0 GJABRO CC1(C)CC(NC(=O)N2c3ccccc3CCc3ccccc32)CC(C)(C)[NH2+]1 ZINC000000848819 570534699 /nfs/dbraw/zinc/53/46/99/570534699.db2.gz QNSFFRSTGXLBGL-UHFFFAOYSA-N 1 0 377.532 4.942 40 0 GJABRO COc1cc([C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@H]3CCC[C@H]23)cc(OC)c1OC ZINC000036719477 570561677 /nfs/dbraw/zinc/56/16/77/570561677.db2.gz XPFKCAOXTKOTDL-AABGKKOBSA-N 1 0 385.479 4.620 40 0 GJABRO CC1(C)CC(N(Cc2ccc3ncccc3c2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740494 570569526 /nfs/dbraw/zinc/56/95/26/570569526.db2.gz IETOAALUHMDABT-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225630728 570596174 /nfs/dbraw/zinc/59/61/74/570596174.db2.gz OAZWJTUCPRYOBI-IBGZPJMESA-N 1 0 388.552 4.618 40 0 GJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225735066 570611247 /nfs/dbraw/zinc/61/12/47/570611247.db2.gz DNAIXCJZVUSHCL-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO CC(C)[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230369 570624409 /nfs/dbraw/zinc/62/44/09/570624409.db2.gz UHAVCMUJIZMVIX-JOCHJYFZSA-N 1 0 381.568 4.830 40 0 GJABRO Cc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044909622 570642182 /nfs/dbraw/zinc/64/21/82/570642182.db2.gz FMOFPIKYUKKZSJ-NRFANRHFSA-N 1 0 384.951 4.609 40 0 GJABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000044912284 570642779 /nfs/dbraw/zinc/64/27/79/570642779.db2.gz NCZPHFVZCDXRIM-SFHVURJKSA-N 1 0 391.342 4.830 40 0 GJABRO O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044932895 570643844 /nfs/dbraw/zinc/64/38/44/570643844.db2.gz FSDONOWWWAUSTK-KNQAVFIVSA-N 1 0 382.935 4.746 40 0 GJABRO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c(C)c1 ZINC000005625951 570665419 /nfs/dbraw/zinc/66/54/19/570665419.db2.gz PEOPKCAROQXTHB-UHFFFAOYSA-N 1 0 396.922 4.651 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812461 570707226 /nfs/dbraw/zinc/70/72/26/570707226.db2.gz BYKHCSXHBFITSH-WMZHIEFXSA-N 1 0 390.568 4.577 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814724 570707648 /nfs/dbraw/zinc/70/76/48/570707648.db2.gz MYCDEBUDJMHQMK-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260816885 570708683 /nfs/dbraw/zinc/70/86/83/570708683.db2.gz RNPINJKJDFHXLS-YDHSSHFGSA-N 1 0 390.568 4.577 40 0 GJABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260912211 570714020 /nfs/dbraw/zinc/71/40/20/570714020.db2.gz AOKURFZCEWOVRQ-FQEVSTJZSA-N 1 0 394.559 4.851 40 0 GJABRO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008227148 570765932 /nfs/dbraw/zinc/76/59/32/570765932.db2.gz KVQWWLFNSYSMOT-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 ZINC000585100257 570923845 /nfs/dbraw/zinc/92/38/45/570923845.db2.gz JCFCJNOBRPGOLM-HSZRJFAPSA-N 1 0 390.518 4.892 40 0 GJABRO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)cc(OC)c1OC ZINC000019237634 570967540 /nfs/dbraw/zinc/96/75/40/570967540.db2.gz ABTUADLBOKWKDT-GOSISDBHSA-N 1 0 398.528 4.551 40 0 GJABRO COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc1C ZINC000019567333 571008567 /nfs/dbraw/zinc/00/85/67/571008567.db2.gz YWOKYJUFDPIKRP-LJQANCHMSA-N 1 0 380.492 4.726 40 0 GJABRO COc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1 ZINC000019570730 571009877 /nfs/dbraw/zinc/00/98/77/571009877.db2.gz LLWNWEJFIBYYTP-ZWKOTPCHSA-N 1 0 383.442 4.739 40 0 GJABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)o1 ZINC000096038320 571097317 /nfs/dbraw/zinc/09/73/17/571097317.db2.gz CJUJTHMGBHTKMW-UHFFFAOYSA-N 1 0 387.487 4.754 40 0 GJABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc(C(F)F)c12 ZINC000019564364 210265630 /nfs/dbraw/zinc/26/56/30/210265630.db2.gz JFIFWYXGAFFOKU-CQSZACIVSA-N 1 0 375.394 4.988 40 0 GJABRO OC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2cccnc2[nH]c1C1CC1 ZINC000019347898 210244684 /nfs/dbraw/zinc/24/46/84/210244684.db2.gz VZLCCSAUDQLNCF-LDSCYUJKSA-N 1 0 391.490 4.594 40 0 GJABRO C[C@H](C[NH2+][C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220800 209922481 /nfs/dbraw/zinc/92/24/81/209922481.db2.gz MIJLLFWNPXKPLQ-YOEHRIQHSA-N 1 0 386.542 4.686 40 0 GJABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008253183 204267913 /nfs/dbraw/zinc/26/79/13/204267913.db2.gz DAFICVWMBQMOSX-UHFFFAOYSA-N 1 0 377.912 4.834 40 0 GJABRO C=Cn1ncc(CN(Cc2ccccc2OC)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012186576 204380242 /nfs/dbraw/zinc/38/02/42/204380242.db2.gz MFZZYKYSMDQHLM-UHFFFAOYSA-N 1 0 396.579 4.612 40 0 GJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000012292745 204389650 /nfs/dbraw/zinc/38/96/50/204389650.db2.gz HMLDKCNTSGUIGR-UHFFFAOYSA-N 1 0 380.463 4.508 40 0 GJABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C ZINC000012345300 204398916 /nfs/dbraw/zinc/39/89/16/204398916.db2.gz ICXFAVTXFRSQJB-QRQCMCJISA-N 1 0 399.506 4.636 40 0 GJABRO O=C(Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C(Cl)(Cl)Cl ZINC000225590597 211909381 /nfs/dbraw/zinc/90/93/81/211909381.db2.gz QLEZISHDPUVUQM-UHFFFAOYSA-N 1 0 393.742 4.640 40 0 GJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044855417 205088471 /nfs/dbraw/zinc/08/84/71/205088471.db2.gz UAAYJXWTNOYSOR-NRFANRHFSA-N 1 0 378.516 4.623 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 ZINC000044906427 205090058 /nfs/dbraw/zinc/09/00/58/205090058.db2.gz VYLOVHXSZYCOQU-SFHVURJKSA-N 1 0 384.951 4.935 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223339852 211828790 /nfs/dbraw/zinc/82/87/90/211828790.db2.gz HHAGVIREKUTBFH-HSZRJFAPSA-N 1 0 394.559 4.792 40 0 GJABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)n1 ZINC000072372577 205337275 /nfs/dbraw/zinc/33/72/75/205337275.db2.gz WKGRCOREEGVOIB-HSZRJFAPSA-N 1 0 396.498 4.809 40 0 GJABRO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378680 205339970 /nfs/dbraw/zinc/33/99/70/205339970.db2.gz DPKIEXXQRFZKAB-NRFANRHFSA-N 1 0 375.520 4.555 40 0 GJABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000225730975 206071183 /nfs/dbraw/zinc/07/11/83/206071183.db2.gz LGPKSFCGFDXLKT-HDICACEKSA-N 1 0 389.609 4.662 40 0 GJABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225736322 206071689 /nfs/dbraw/zinc/07/16/89/206071689.db2.gz KQUKAWOPFJHELV-LBPRGKRZSA-N 1 0 393.906 4.767 40 0 GJABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225607541 206061182 /nfs/dbraw/zinc/06/11/82/206061182.db2.gz BZNMRHAHOPRWJI-AUSIDOKSSA-N 1 0 390.568 4.577 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225655084 206063498 /nfs/dbraw/zinc/06/34/98/206063498.db2.gz TVRFQLBLQDJVKS-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225689119 206067257 /nfs/dbraw/zinc/06/72/57/206067257.db2.gz PZOHHDVUJOBAQP-QFIPXVFZSA-N 1 0 378.557 4.577 40 0 GJABRO O[C@H]1[C@H](Nc2ccccc2Cc2ccccc2)CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000257306770 206176253 /nfs/dbraw/zinc/17/62/53/206176253.db2.gz SVUWVATXXKVEAZ-TWJOJJKGSA-N 1 0 386.539 4.761 40 0 GJABRO C[C@H]([NH2+]C[C@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373196 206193929 /nfs/dbraw/zinc/19/39/29/206193929.db2.gz YXBCIFNYBRWTHM-RDPSFJRHSA-N 1 0 375.512 4.547 40 0 GJABRO O=C([C@H]1CCC[N@H+](Cc2cccc3ccccc32)C1)N1CCc2ccccc2C1 ZINC000004745075 206215452 /nfs/dbraw/zinc/21/54/52/206215452.db2.gz VLIHKSXDDPUCHU-DEOSSOPVSA-N 1 0 384.523 4.637 40 0 GJABRO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627687 211344849 /nfs/dbraw/zinc/34/48/49/211344849.db2.gz WMNASJRPHONPBO-HNNXBMFYSA-N 1 0 396.384 4.575 40 0 GJABRO Cc1cc([C@@H](O)C[NH2+]CCCCCCOCCCCc2ccccc2)ccc1O ZINC000077286679 211129319 /nfs/dbraw/zinc/12/93/19/211129319.db2.gz CRLOZJFZHGTJNG-VWLOTQADSA-N 1 0 399.575 4.924 40 0 in-vitro GJABRO COc1ccc(C2([NH2+]Cc3cc4ccccc4nc3N(C)C)CCCC2)cc1 ZINC000019584091 210270129 /nfs/dbraw/zinc/27/01/29/210270129.db2.gz QHUAIPLFKFSXIS-UHFFFAOYSA-N 1 0 375.516 4.869 40 0 GJABRO CCCCOc1ccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609816 528660210 /nfs/dbraw/zinc/66/02/10/528660210.db2.gz OWWHEJWSKNROEL-QHCPKHFHSA-N 1 0 392.543 4.528 40 0 GJABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 ZINC000022931873 535595516 /nfs/dbraw/zinc/59/55/16/535595516.db2.gz CZQGCEALMOMQSD-DEOSSOPVSA-N 1 0 392.591 4.558 40 0 GJABRO O[C@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000001572961 560182536 /nfs/dbraw/zinc/18/25/36/560182536.db2.gz GBOMJGJESBMUBL-IUODEOHRSA-N 1 0 379.209 4.736 40 0 in-vitro GJABRO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)[nH+]1 ZINC000329050694 570215277 /nfs/dbraw/zinc/21/52/77/570215277.db2.gz UUNFSARVJUOVFV-UHFFFAOYSA-N 1 0 389.341 4.746 40 0 GJABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(F)cc1 ZINC000020460621 570260713 /nfs/dbraw/zinc/26/07/13/570260713.db2.gz ANFGHGUOUCGUAM-GOSISDBHSA-N 1 0 388.486 4.875 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(Cl)cc2Cl)CC1 ZINC000039742968 570447048 /nfs/dbraw/zinc/44/70/48/570447048.db2.gz FSYTWFHEYHRVKW-UHFFFAOYSA-N 1 0 391.342 4.830 40 0 GJABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220859 570452697 /nfs/dbraw/zinc/45/26/97/570452697.db2.gz WMTWELPEQYKZNJ-OAHLLOKOSA-N 1 0 393.314 4.853 40 0 GJABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030850720 570498302 /nfs/dbraw/zinc/49/83/02/570498302.db2.gz FGCKNNNGFULVSJ-GPMSIDNRSA-N 1 0 383.001 4.695 40 0 GJABRO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943702 570501445 /nfs/dbraw/zinc/50/14/45/570501445.db2.gz UNWOBXVDRSACRZ-WIYYLYMNSA-N 1 0 384.951 4.690 40 0 GJABRO O=C(CCSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224591554 570519742 /nfs/dbraw/zinc/51/97/42/570519742.db2.gz UPPLHWQNDIRTRX-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO Cc1ccc(SCCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224646804 570522279 /nfs/dbraw/zinc/52/22/79/570522279.db2.gz VPRVSCZNADOPNX-UHFFFAOYSA-N 1 0 382.573 4.780 40 0 GJABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224696995 570525252 /nfs/dbraw/zinc/52/52/52/570525252.db2.gz QRYIEXXLYCZVKF-DEOSSOPVSA-N 1 0 394.559 4.709 40 0 GJABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008327030 570528631 /nfs/dbraw/zinc/52/86/31/570528631.db2.gz YUPJFZYTJHUIFS-QGZVFWFLSA-N 1 0 398.330 4.832 40 0 GJABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224801432 570531211 /nfs/dbraw/zinc/53/12/11/570531211.db2.gz PGOQEWILIGCOJH-HXUWFJFHSA-N 1 0 394.559 4.798 40 0 GJABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)cc1OC ZINC000008493643 570532932 /nfs/dbraw/zinc/53/29/32/570532932.db2.gz UUHXSRBOKKZUBA-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 ZINC000038834919 570586401 /nfs/dbraw/zinc/58/64/01/570586401.db2.gz RVMXJGPEHOHGGT-OAHLLOKOSA-N 1 0 387.321 4.933 40 0 GJABRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590533 570591738 /nfs/dbraw/zinc/59/17/38/570591738.db2.gz LDHLGVMOCQKHHW-CYBMUJFWSA-N 1 0 393.742 4.639 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225654787 570598595 /nfs/dbraw/zinc/59/85/95/570598595.db2.gz MDPDBGFGXVIWJR-IBGZPJMESA-N 1 0 388.552 4.618 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225709456 570607052 /nfs/dbraw/zinc/60/70/52/570607052.db2.gz WXXNGJUXDVUWAX-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO C[C@H](C[NH2+][C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220802 570627707 /nfs/dbraw/zinc/62/77/07/570627707.db2.gz MIJLLFWNPXKPLQ-WMLDXEAASA-N 1 0 386.542 4.686 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C ZINC000044856686 570637232 /nfs/dbraw/zinc/63/72/32/570637232.db2.gz RXFMSNFIFSEEHE-HSZRJFAPSA-N 1 0 382.523 4.922 40 0 GJABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)c1C ZINC000004856929 570638330 /nfs/dbraw/zinc/63/83/30/570638330.db2.gz ZHKXBCYLMOLXPN-AYHJJNSGSA-N 1 0 385.602 4.847 40 0 GJABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886060 570642584 /nfs/dbraw/zinc/64/25/84/570642584.db2.gz FKKFVJQSKCKZDV-IHWFROFDSA-N 1 0 385.964 4.822 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812543 570707327 /nfs/dbraw/zinc/70/73/27/570707327.db2.gz FXFJOGWUNABMSE-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000260922451 570714439 /nfs/dbraw/zinc/71/44/39/570714439.db2.gz GSWWDFXTXDVUCL-RBUKOAKNSA-N 1 0 376.544 4.898 40 0 GJABRO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000005944795 570736698 /nfs/dbraw/zinc/73/66/98/570736698.db2.gz GCDGBISDKQBXDO-UHFFFAOYSA-N 1 0 395.572 4.923 40 0 GJABRO CC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008227130 570766063 /nfs/dbraw/zinc/76/60/63/570766063.db2.gz CSHHLSPDYGRODE-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO CC[C@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008326641 570767608 /nfs/dbraw/zinc/76/76/08/570767608.db2.gz QNVSNRGMNRSHKL-AWEZNQCLSA-N 1 0 378.310 4.925 40 0 GJABRO CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 ZINC000019712684 570821059 /nfs/dbraw/zinc/82/10/59/570821059.db2.gz ANBLFFTUVUBMSR-RPWUZVMVSA-N 1 0 398.522 4.546 40 0 GJABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)c(C)c2)cc1OC ZINC000013989908 570868486 /nfs/dbraw/zinc/86/84/86/570868486.db2.gz UXCZQTJNUPNANL-UHFFFAOYSA-N 1 0 376.500 4.918 40 0 GJABRO C[C@@H](O)C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991954 570868730 /nfs/dbraw/zinc/86/87/30/570868730.db2.gz YKNVHOYEWODJAT-QGZVFWFLSA-N 1 0 393.458 4.604 40 0 GJABRO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1c[nH]nc1-c1cccs1 ZINC000013991322 570869021 /nfs/dbraw/zinc/86/90/21/570869021.db2.gz VJHFMEYGOPPEBQ-UHFFFAOYSA-N 1 0 395.507 4.566 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2cc(F)ccc2F)CC3)cc1 ZINC000585100277 570924221 /nfs/dbraw/zinc/92/42/21/570924221.db2.gz JKBWABZJPUYIGK-DEOSSOPVSA-N 1 0 398.497 4.821 40 0 GJABRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 ZINC000585100258 570924257 /nfs/dbraw/zinc/92/42/57/570924257.db2.gz JCFCJNOBRPGOLM-QHCPKHFHSA-N 1 0 390.518 4.892 40 0 GJABRO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019289301 570924730 /nfs/dbraw/zinc/92/47/30/570924730.db2.gz YDAJKGRVJMQIJE-KRWDZBQOSA-N 1 0 384.574 4.549 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100676 570925378 /nfs/dbraw/zinc/92/53/78/570925378.db2.gz SJEZFLVRCRHDFY-DEOSSOPVSA-N 1 0 384.564 4.623 40 0 GJABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081746 570956294 /nfs/dbraw/zinc/95/62/94/570956294.db2.gz KUKVZNFEICBDBJ-UNMCSNQZSA-N 1 0 397.538 4.869 40 0 GJABRO COc1ccccc1C[N@@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169362 570995644 /nfs/dbraw/zinc/99/56/44/570995644.db2.gz MVNMAYVOOWZVBN-KRWDZBQOSA-N 1 0 394.540 4.601 40 0 GJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NC1CCC1 ZINC000096052742 571097559 /nfs/dbraw/zinc/09/75/59/571097559.db2.gz CFRZHKQZWVJJEX-SFHVURJKSA-N 1 0 394.584 4.828 40 0 GJABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053312 571097975 /nfs/dbraw/zinc/09/79/75/571097975.db2.gz YRJFWSKEAHMOAJ-IBGZPJMESA-N 1 0 398.572 4.564 40 0 GJABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019568929 210265268 /nfs/dbraw/zinc/26/52/68/210265268.db2.gz VZPIWNOSGGDOGE-LBPRGKRZSA-N 1 0 381.423 4.991 40 0 GJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293882 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394.559 4.763 40 0 GJABRO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000044936894 205090528 /nfs/dbraw/zinc/09/05/28/205090528.db2.gz JXBUFGRYWFMKPG-QHCPKHFHSA-N 1 0 382.523 4.941 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)cc1 ZINC000044936472 205091627 /nfs/dbraw/zinc/09/16/27/205091627.db2.gz BDUIVLAQFGYOCA-HSZRJFAPSA-N 1 0 380.532 4.952 40 0 GJABRO CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000222903688 211815099 /nfs/dbraw/zinc/81/50/99/211815099.db2.gz CIDWRMIUFJJAMA-HSZRJFAPSA-N 1 0 396.531 4.518 40 0 GJABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000072376858 205338159 /nfs/dbraw/zinc/33/81/59/205338159.db2.gz HSAXFAZBQFCACX-LJQANCHMSA-N 1 0 379.895 4.501 40 0 GJABRO CC(C)(C)c1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224534798 206022815 /nfs/dbraw/zinc/02/28/15/206022815.db2.gz DRCMFKNBEYBAQE-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225731034 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CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225696338 206068302 /nfs/dbraw/zinc/06/83/02/206068302.db2.gz KGUFDBOLHSNXAF-UHFFFAOYSA-N 1 0 392.584 4.823 40 0 GJABRO CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](CC2CC2)CC1 ZINC000257200517 206158416 /nfs/dbraw/zinc/15/84/16/206158416.db2.gz ADQSRBZSYYTBCL-UHFFFAOYSA-N 1 0 396.600 4.976 40 0 GJABRO c1cnc(Nc2cccc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)nc1 ZINC000257308635 206177141 /nfs/dbraw/zinc/17/71/41/206177141.db2.gz TXMMVAPZUJBYHB-UHFFFAOYSA-N 1 0 396.498 4.543 40 0 GJABRO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3cccnc3)CC1)O2 ZINC000257311350 206177374 /nfs/dbraw/zinc/17/73/74/206177374.db2.gz UJAPLSOAERWGBH-PZJWPPBQSA-N 1 0 384.907 4.630 40 0 GJABRO Clc1ccccc1C[NH+]1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257242791 206165787 /nfs/dbraw/zinc/16/57/87/206165787.db2.gz IEDNBHZCHIITCE-UHFFFAOYSA-N 1 0 379.895 4.648 40 0 GJABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)[nH+]1 ZINC000257262411 206167592 /nfs/dbraw/zinc/16/75/92/206167592.db2.gz LLHCWRZVAKNRNF-LJQANCHMSA-N 1 0 394.494 4.564 40 0 GJABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[N@H+](C)CC[C@H]1c1ccc(F)cc1 ZINC000257353593 206182943 /nfs/dbraw/zinc/18/29/43/206182943.db2.gz RZVKAWNUVBFUSF-QAGBHRCTSA-N 1 0 375.528 4.865 40 0 GJABRO COc1cc(N)c([C@H]2[NH2+][C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl ZINC000261508974 206184832 /nfs/dbraw/zinc/18/48/32/206184832.db2.gz YSJVBYYUXMVASZ-WPCRTTGESA-N 1 0 394.277 4.828 40 0 GJABRO COc1ccccc1C[NH2+]CCc1cc(OC)c(SC(C)C)cc1OC ZINC000299817094 206194245 /nfs/dbraw/zinc/19/42/45/206194245.db2.gz BOWHVFJVXBVJCU-UHFFFAOYSA-N 1 0 375.534 4.545 40 0 in-vitro GJABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625875 211345358 /nfs/dbraw/zinc/34/53/58/211345358.db2.gz OGWQTOGWPIQUAG-UHFFFAOYSA-N 1 0 397.950 4.791 40 0 GJABRO O=C(c1ccccc1-c1ccccc1)N1Cc2ccccc2C2(CC[NH2+]CC2)C1 ZINC000096268277 211328674 /nfs/dbraw/zinc/32/86/74/211328674.db2.gz TVVMZSPBOIZFOL-UHFFFAOYSA-N 1 0 382.507 4.631 40 0 GJABRO CC(C)C(=O)N1CCC[C@]2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071308 211298287 /nfs/dbraw/zinc/29/82/87/211298287.db2.gz KHNZNHDIOHAQSZ-VWLOTQADSA-N 1 0 376.544 4.967 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)o1 ZINC000096052530 211296125 /nfs/dbraw/zinc/29/61/25/211296125.db2.gz IDIMVKISMPKCOH-UHFFFAOYSA-N 1 0 386.495 4.669 40 0 GJABRO c1cnc2cccc(C[N@@H+]3CCC[C@@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375737 211105656 /nfs/dbraw/zinc/10/56/56/211105656.db2.gz QZDNQPUFOIBCQA-OAQYLSRUSA-N 1 0 382.471 4.501 40 0 GJABRO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000072376423 211104799 /nfs/dbraw/zinc/10/47/99/211104799.db2.gz KONITTSYXROEDT-QFIPXVFZSA-N 1 0 398.514 4.752 40 0 GJABRO O=C(OCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 ZINC000072202922 211083782 /nfs/dbraw/zinc/08/37/82/211083782.db2.gz JZCQTAYRPMVYIQ-UHFFFAOYSA-N 1 0 378.299 4.949 40 0 GJABRO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044915816 210816478 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40 0 GJABRO Cc1ccsc1C[N@H+](Cc1c(C)nn(-c2ccccc2C)c1C)C[C@@H](C)O ZINC000012185446 221163808 /nfs/dbraw/zinc/16/38/08/221163808.db2.gz VJILNGIJTZUZLT-QGZVFWFLSA-N 1 0 383.561 4.550 40 0 GJABRO Cc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718230 136153782 /nfs/dbraw/zinc/15/37/82/136153782.db2.gz DVDOBZIIFOFVAV-QZTJIDSGSA-N 1 0 375.516 4.931 40 0 GJABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328972629 570210130 /nfs/dbraw/zinc/21/01/30/570210130.db2.gz DWDFJKPUIPXUAG-UHFFFAOYSA-N 1 0 395.938 4.635 40 0 GJABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329045505 570214871 /nfs/dbraw/zinc/21/48/71/570214871.db2.gz TVYGKEQYWMADDK-INIZCTEOSA-N 1 0 380.536 4.571 40 0 GJABRO COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1Cl ZINC000022075186 570305143 /nfs/dbraw/zinc/30/51/43/570305143.db2.gz DQEBJIYNLNSJBQ-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000107249619 570309000 /nfs/dbraw/zinc/30/90/00/570309000.db2.gz VGBVRAUDLWKVSQ-WIOPSUGQSA-N 1 0 397.522 4.667 40 0 GJABRO COc1cccc([C@H](C[NH2+]Cc2ccco2)c2c[nH]c3ccccc32)c1OC ZINC000023935287 570339481 /nfs/dbraw/zinc/33/94/81/570339481.db2.gz GKZYPMOVYWZZEE-IBGZPJMESA-N 1 0 376.456 4.700 40 0 GJABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000219426717 570360081 /nfs/dbraw/zinc/36/00/81/570360081.db2.gz VEDHMPGHEHBOQF-UHFFFAOYSA-N 1 0 396.550 4.910 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)c(C)c1 ZINC000222616033 570416972 /nfs/dbraw/zinc/41/69/72/570416972.db2.gz VJRZCFVKWQFQGR-HSZRJFAPSA-N 1 0 394.559 4.792 40 0 GJABRO CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000222903631 570430726 /nfs/dbraw/zinc/43/07/26/570430726.db2.gz CIDWRMIUFJJAMA-QHCPKHFHSA-N 1 0 396.531 4.518 40 0 GJABRO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039760048 570445574 /nfs/dbraw/zinc/44/55/74/570445574.db2.gz BSVCGYXSKUPEGF-UHFFFAOYSA-N 1 0 395.012 4.734 40 0 GJABRO O=C(NCc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039757412 570448693 /nfs/dbraw/zinc/44/86/93/570448693.db2.gz VKIIYHHBMHZHGD-UHFFFAOYSA-N 1 0 395.305 4.661 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000035289479 570454663 /nfs/dbraw/zinc/45/46/63/570454663.db2.gz JPAWITYARRVPMB-SEJPIABJSA-N 1 0 395.572 4.567 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2cccc(Cl)c2)cc(-c2ccccc2)n1 ZINC000243425967 570457711 /nfs/dbraw/zinc/45/77/11/570457711.db2.gz MWJOWTIUDHWERW-UHFFFAOYSA-N 1 0 381.911 4.904 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000244185714 570458359 /nfs/dbraw/zinc/45/83/59/570458359.db2.gz VLRGZBSYOFGHBD-UHFFFAOYSA-N 1 0 381.911 4.904 40 0 GJABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C ZINC000223471265 570467897 /nfs/dbraw/zinc/46/78/97/570467897.db2.gz QOMAQQCHUAVEJC-IBGZPJMESA-N 1 0 382.523 4.840 40 0 GJABRO Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000223488001 570468157 /nfs/dbraw/zinc/46/81/57/570468157.db2.gz SIRJPPKBGNFVKI-PZJWPPBQSA-N 1 0 382.523 4.840 40 0 GJABRO Cc1cc(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl ZINC000257219581 570487240 /nfs/dbraw/zinc/48/72/40/570487240.db2.gz DHHXERCDPWTJRH-QHCPKHFHSA-N 1 0 398.934 4.844 40 0 GJABRO CO[C@@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257265997 570488184 /nfs/dbraw/zinc/48/81/84/570488184.db2.gz MBEOYNWVDNPOLQ-DEOSSOPVSA-N 1 0 378.516 4.926 40 0 GJABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030850715 570498058 /nfs/dbraw/zinc/49/80/58/570498058.db2.gz FGCKNNNGFULVSJ-FCEWJHQRSA-N 1 0 383.001 4.695 40 0 GJABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535408 570517424 /nfs/dbraw/zinc/51/74/24/570517424.db2.gz UOANHEQGXSEHQM-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO CC(C)(C)c1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224590781 570519475 /nfs/dbraw/zinc/51/94/75/570519475.db2.gz CFWZFEOGJMOQET-SDNWHVSQSA-N 1 0 376.544 4.910 40 0 GJABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697222 570525246 /nfs/dbraw/zinc/52/52/46/570525246.db2.gz DVCFOSLQSLKKLU-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO CCOc1cc(C[NH2+][C@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008327040 570528646 /nfs/dbraw/zinc/52/86/46/570528646.db2.gz RMTAQUJKUYAEJV-MRXNPFEDSA-N 1 0 398.330 4.832 40 0 GJABRO O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000224928538 570538768 /nfs/dbraw/zinc/53/87/68/570538768.db2.gz XDZBJPSSIUQFSZ-UHFFFAOYSA-N 1 0 377.532 4.915 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000036092723 570554526 /nfs/dbraw/zinc/55/45/26/570554526.db2.gz AKRBXFCRANQGLD-FDDCHVKYSA-N 1 0 380.532 4.808 40 0 GJABRO COc1cc([C@@H]2C[N@H+](CCc3ccccc3)[C@H]3CCC[C@H]23)cc(OC)c1OC ZINC000036719473 570561866 /nfs/dbraw/zinc/56/18/66/570561866.db2.gz RAUKNZWEAAPBHW-HKBOAZHASA-N 1 0 381.516 4.523 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225623382 570595490 /nfs/dbraw/zinc/59/54/90/570595490.db2.gz ONEJTXUSUMKGRC-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225623212 570595792 /nfs/dbraw/zinc/59/57/92/570595792.db2.gz ZJAWQTMLVYMDRT-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225623003 570595795 /nfs/dbraw/zinc/59/57/95/570595795.db2.gz NBYZTEJFSXBZJX-WMZHIEFXSA-N 1 0 390.568 4.864 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225739130 570611571 /nfs/dbraw/zinc/61/15/71/570611571.db2.gz PTYMKYLEYXOMHQ-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225744867 570612449 /nfs/dbraw/zinc/61/24/49/570612449.db2.gz BLCGXQAOZYSLNA-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c(C)c1C ZINC000043277851 570627084 /nfs/dbraw/zinc/62/70/84/570627084.db2.gz QOIQEWWWSSAGGN-UHFFFAOYSA-N 1 0 381.495 4.740 40 0 GJABRO O=C(Nc1ccc2sncc2c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904055 570632212 /nfs/dbraw/zinc/63/22/12/570632212.db2.gz KODFZMPXQBGUFM-HNNXBMFYSA-N 1 0 385.920 4.800 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)c(C)c1 ZINC000044856527 570637222 /nfs/dbraw/zinc/63/72/22/570637222.db2.gz OYOCOOILGLZYNY-QHCPKHFHSA-N 1 0 382.523 4.922 40 0 GJABRO CC(C)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000044882681 570638559 /nfs/dbraw/zinc/63/85/59/570638559.db2.gz YSMVTCUCWMIPFS-UHFFFAOYSA-N 1 0 380.532 4.636 40 0 GJABRO COc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1OC1CCCC1 ZINC000012363531 570646173 /nfs/dbraw/zinc/64/61/73/570646173.db2.gz QRDHCAITLLYXDK-UHFFFAOYSA-N 1 0 399.506 4.639 40 0 GJABRO C[NH+](C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(Cl)c4)nn31)CCC2 ZINC000004980272 570655914 /nfs/dbraw/zinc/65/59/14/570655914.db2.gz JUCNREBNERCCNY-UHFFFAOYSA-N 1 0 397.954 4.538 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260814660 570707831 /nfs/dbraw/zinc/70/78/31/570707831.db2.gz MDPDBGFGXVIWJR-LJQANCHMSA-N 1 0 388.552 4.618 40 0 GJABRO CCOc1c(Br)cc(C[NH2+]Cc2ccccc2Cl)cc1OC ZINC000008253359 570765885 /nfs/dbraw/zinc/76/58/85/570765885.db2.gz RMADNAWOBYUCLR-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100595 570924893 /nfs/dbraw/zinc/92/48/93/570924893.db2.gz OZFAVUAHRUVFPS-QFIPXVFZSA-N 1 0 389.609 4.687 40 0 GJABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)s1 ZINC000585100734 570925290 /nfs/dbraw/zinc/92/52/90/570925290.db2.gz UYFFINDMWBNBDM-HSZRJFAPSA-N 1 0 397.588 4.616 40 0 GJABRO O=C(CSc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000016781336 570933385 /nfs/dbraw/zinc/93/33/85/570933385.db2.gz LNJDYDVVBMRFNK-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](CC4CCCCC4)C[C@@H]32)o1 ZINC000585109711 570938257 /nfs/dbraw/zinc/93/82/57/570938257.db2.gz KHVSPNIJPLEAOZ-QNWVGRARSA-N 1 0 378.516 4.668 40 0 GJABRO Cc1ccc([C@](O)(C[NH2+]Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000019205338 570960200 /nfs/dbraw/zinc/96/02/00/570960200.db2.gz XYPQNHOULXSCBA-JOCHJYFZSA-N 1 0 396.328 4.783 40 0 GJABRO Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 ZINC000019235063 570965635 /nfs/dbraw/zinc/96/56/35/570965635.db2.gz ANOMVNABOWKRNH-VABKMULXSA-N 1 0 394.584 4.673 40 0 GJABRO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1C ZINC000019558536 571004444 /nfs/dbraw/zinc/00/44/44/571004444.db2.gz NTPJRHNXMYLMFC-IBGZPJMESA-N 1 0 383.540 4.532 40 0 GJABRO Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000019691037 571029235 /nfs/dbraw/zinc/02/92/35/571029235.db2.gz JCEPYWVKCAIMCG-DEOSSOPVSA-N 1 0 395.510 4.920 40 0 GJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096053025 571097611 /nfs/dbraw/zinc/09/76/11/571097611.db2.gz CYXJDTYMBNHJDS-LJQANCHMSA-N 1 0 380.532 4.559 40 0 GJABRO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2CC2CCCCC2)c1C ZINC000019558539 210263947 /nfs/dbraw/zinc/26/39/47/210263947.db2.gz NTPJRHNXMYLMFC-LJQANCHMSA-N 1 0 383.540 4.532 40 0 GJABRO CCOc1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC ZINC000019531801 210259006 /nfs/dbraw/zinc/25/90/06/210259006.db2.gz BPFAWRYIYYIWST-GOSISDBHSA-N 1 0 379.504 4.658 40 0 GJABRO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C ZINC000019523954 210256158 /nfs/dbraw/zinc/25/61/58/210256158.db2.gz WEWUPYBJMYUQJG-JOCHJYFZSA-N 1 0 394.519 4.992 40 0 GJABRO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)c1C ZINC000019523955 210255779 /nfs/dbraw/zinc/25/57/79/210255779.db2.gz WEWUPYBJMYUQJG-QFIPXVFZSA-N 1 0 394.519 4.992 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1OC(C)C ZINC000019450478 210249194 /nfs/dbraw/zinc/24/91/94/210249194.db2.gz PVIUSBYZGPPVIH-SVGJNIJCSA-N 1 0 399.506 4.636 40 0 GJABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccc(F)cc3)cc2n1 ZINC000019116877 210225050 /nfs/dbraw/zinc/22/50/50/210225050.db2.gz QEQUGOBKUSVOFT-MRXNPFEDSA-N 1 0 378.373 4.533 40 0 GJABRO C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH2+]Cc1ccccc1 ZINC000006933069 209709052 /nfs/dbraw/zinc/70/90/52/209709052.db2.gz HKQCBICFBAZMCN-LROMGURASA-N 1 0 391.555 4.769 40 0 GJABRO C[C@]([NH3+])(c1cc(Br)cc(Br)c1N)C1CCCCC1 ZINC000005159360 209575559 /nfs/dbraw/zinc/57/55/59/209575559.db2.gz QYNKEKWNHSDRNY-CQSZACIVSA-N 1 0 376.136 4.548 40 0 in-vitro GJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)c(OC)c1 ZINC000005162460 204116625 /nfs/dbraw/zinc/11/66/25/204116625.db2.gz MVSZIESXWTZSRG-QDSKXPNFSA-N 1 0 399.506 4.711 40 0 GJABRO CCOc1cc(CNCCC[NH2+]C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008254576 204268352 /nfs/dbraw/zinc/26/83/52/204268352.db2.gz UKDNKYPQRCFRAY-UHFFFAOYSA-N 1 0 397.346 4.670 40 0 GJABRO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000012134972 204373846 /nfs/dbraw/zinc/37/38/46/204373846.db2.gz YVEZDQHLESTJLM-XEWABKELSA-N 1 0 377.315 4.508 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C ZINC000012345621 204398484 /nfs/dbraw/zinc/39/84/84/204398484.db2.gz AXKHCVZFKKORAV-QRQCMCJISA-N 1 0 399.506 4.636 40 0 GJABRO C[C@H](C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019456065 204644254 /nfs/dbraw/zinc/64/42/54/204644254.db2.gz XWNVRXYYQYFAPA-XXBNENTESA-N 1 0 393.575 4.801 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225654915 211912655 /nfs/dbraw/zinc/91/26/55/211912655.db2.gz ZSODWPOCEOURNZ-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000225266785 211890053 /nfs/dbraw/zinc/89/00/53/211890053.db2.gz SQMMDBCXWZNSQD-UHFFFAOYSA-N 1 0 392.528 4.833 40 0 GJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1CCc1ccccc1 ZINC000044872510 205088205 /nfs/dbraw/zinc/08/82/05/205088205.db2.gz APMPMPRBSHITIQ-UHFFFAOYSA-N 1 0 398.550 4.998 40 0 GJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330596 205326784 /nfs/dbraw/zinc/32/67/84/205326784.db2.gz YJEJBOYWILOFSN-KNQAVFIVSA-N 1 0 397.950 4.605 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359401 205334478 /nfs/dbraw/zinc/33/44/78/205334478.db2.gz QFFMXPQCCWEANL-GOSISDBHSA-N 1 0 398.432 4.937 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)c1 ZINC000072359752 205334956 /nfs/dbraw/zinc/33/49/56/205334956.db2.gz ZNHMOJXIHCCGQR-UHFFFAOYSA-N 1 0 391.437 4.521 40 0 GJABRO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000072380353 205338971 /nfs/dbraw/zinc/33/89/71/205338971.db2.gz LCNKBHRFTCTAFL-QHCPKHFHSA-N 1 0 384.483 4.971 40 0 GJABRO c1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072377983 205340514 /nfs/dbraw/zinc/34/05/14/205340514.db2.gz WBGDTAVOHUUXPX-OAQYLSRUSA-N 1 0 382.471 4.501 40 0 GJABRO c1coc(CN[C@@H]2CC3(CC[NH+](Cc4ccco4)CC3)Oc3ccccc32)c1 ZINC000096242823 205547981 /nfs/dbraw/zinc/54/79/81/205547981.db2.gz AQGGQVJZOPFASF-OAQYLSRUSA-N 1 0 378.472 4.521 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2C)CC1)c1ccc(OC)c(C)c1 ZINC000224550330 206021621 /nfs/dbraw/zinc/02/16/21/206021621.db2.gz WPGFEKPYUXYFEW-HSZRJFAPSA-N 1 0 394.559 4.792 40 0 GJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224618899 206025059 /nfs/dbraw/zinc/02/50/59/206025059.db2.gz KBQIMYOWELTNPM-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO Cc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224645211 206025193 /nfs/dbraw/zinc/02/51/93/206025193.db2.gz RRUBQPFPOSYRDI-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224757665 206027570 /nfs/dbraw/zinc/02/75/70/206027570.db2.gz ZKDHVBBEIKPHPG-NTCAYCPXSA-N 1 0 376.544 4.910 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225709324 206069982 /nfs/dbraw/zinc/06/99/82/206069982.db2.gz BCACJCSMKTYLIA-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225688993 206067492 /nfs/dbraw/zinc/06/74/92/206067492.db2.gz NKCYYBFGCZIZKG-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO Cn1cc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccnc4ccccc34)cn2)cn1 ZINC000257207092 206159780 /nfs/dbraw/zinc/15/97/80/206159780.db2.gz BGHBNJOQLQIAIC-XMMPIXPASA-N 1 0 383.499 4.758 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)s1 ZINC000096100270 211301811 /nfs/dbraw/zinc/30/18/11/211301811.db2.gz AKTWIBLGIBDTGQ-NRFANRHFSA-N 1 0 380.557 4.632 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccs4)C3)n2)c1 ZINC000072369954 211102276 /nfs/dbraw/zinc/10/22/76/211102276.db2.gz ZJQUTWQPWMVKRE-ZDUSSCGKSA-N 1 0 379.407 4.806 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 ZINC000072358400 211099109 /nfs/dbraw/zinc/09/91/09/211099109.db2.gz PZWVZKBUOJUFJV-FQEVSTJZSA-N 1 0 389.499 4.540 40 0 GJABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072355477 211098773 /nfs/dbraw/zinc/09/87/73/211098773.db2.gz UCEIBXLXBUTULG-NRFANRHFSA-N 1 0 389.547 4.598 40 0 GJABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072358386 211098237 /nfs/dbraw/zinc/09/82/37/211098237.db2.gz WVPDJPDOEZMFIH-GOSISDBHSA-N 1 0 377.463 4.671 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072350250 211097293 /nfs/dbraw/zinc/09/72/93/211097293.db2.gz UNBZRYQPBGWDAL-LJQANCHMSA-N 1 0 376.479 4.620 40 0 GJABRO C[NH+](C)CCOc1ccc([C@H](c2ccccc2)[C@H](CCO)c2ccccc2)cc1 ZINC000071625202 211050819 /nfs/dbraw/zinc/05/08/19/211050819.db2.gz LSBUBGBAISEBHG-FTJBHMTQSA-N 1 0 389.539 4.925 40 0 GJABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CCC[NH+]1CCCCC1 ZINC000019719684 210288920 /nfs/dbraw/zinc/28/89/20/210288920.db2.gz XQOKNNDWGDHZLX-UHFFFAOYSA-N 1 0 377.536 4.537 40 0 GJABRO C[NH+](C)CC[C@H](c1ccccc1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019719958 210288405 /nfs/dbraw/zinc/28/84/05/210288405.db2.gz IDYNXOPLWQKJNK-JOCHJYFZSA-N 1 0 377.536 4.793 40 0 GJABRO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718209 136153875 /nfs/dbraw/zinc/15/38/75/136153875.db2.gz DVDOBZIIFOFVAV-HDICACEKSA-N 1 0 375.516 4.931 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 ZINC000253504565 560037799 /nfs/dbraw/zinc/03/77/99/560037799.db2.gz HLKCYOOWMVLNED-AJUULYEXSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO C[NH+](C)CCCCNC(=O)/C=C/c1ccccc1Sc1ccc(Cl)cc1 ZINC000001552663 560182174 /nfs/dbraw/zinc/18/21/74/560182174.db2.gz RVXKUSLFQCZMJA-NTEUORMPSA-N 1 0 388.964 4.962 40 0 in-vitro GJABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329007690 570211795 /nfs/dbraw/zinc/21/17/95/570211795.db2.gz LNAGFSDWENWXCB-KRWDZBQOSA-N 1 0 394.563 4.961 40 0 GJABRO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000005185762 570250309 /nfs/dbraw/zinc/25/03/09/570250309.db2.gz VBYFJVGKRCTMDW-PZUNEJSGSA-N 1 0 395.543 4.881 40 0 GJABRO CCOc1cc(C[NH2+]CCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075391 570305379 /nfs/dbraw/zinc/30/53/79/570305379.db2.gz MKFHRHJZNOLRHQ-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO C[C@@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076617 570320712 /nfs/dbraw/zinc/32/07/12/570320712.db2.gz VYQBNRUFRDRUFK-VLIAUNLRSA-N 1 0 386.289 4.921 40 0 GJABRO COc1cccc([C@@H](C[NH2+]Cc2ccco2)c2c[nH]c3ccccc32)c1OC ZINC000023935283 570339512 /nfs/dbraw/zinc/33/95/12/570339512.db2.gz GKZYPMOVYWZZEE-LJQANCHMSA-N 1 0 376.456 4.700 40 0 GJABRO CC[NH+](CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 ZINC000004188874 570361964 /nfs/dbraw/zinc/36/19/64/570361964.db2.gz LWNIDKJWYPJYSW-UHFFFAOYSA-N 1 0 383.517 4.782 40 0 GJABRO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731828 570371539 /nfs/dbraw/zinc/37/15/39/570371539.db2.gz MJHIRDUYWMUNHY-UEVCKROQSA-N 1 0 382.935 4.760 40 0 GJABRO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039763463 570445934 /nfs/dbraw/zinc/44/59/34/570445934.db2.gz DNOHORCYEPNOJP-UHFFFAOYSA-N 1 0 386.967 4.637 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000223224090 570451062 /nfs/dbraw/zinc/45/10/62/570451062.db2.gz MEFGYOBTHRPWEC-IBGZPJMESA-N 1 0 376.544 4.573 40 0 GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223224520 570451169 /nfs/dbraw/zinc/45/11/69/570451169.db2.gz XVNLAMCWQFVPAU-QGZVFWFLSA-N 1 0 396.962 4.918 40 0 GJABRO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1C ZINC000035289090 570453165 /nfs/dbraw/zinc/45/31/65/570453165.db2.gz UCOYJYRURKASEM-SEJPIABJSA-N 1 0 379.573 4.785 40 0 GJABRO CCOc1ccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)cc1 ZINC000242462499 570456869 /nfs/dbraw/zinc/45/68/69/570456869.db2.gz BREBNFOIJKIFSW-UHFFFAOYSA-N 1 0 391.519 4.650 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223339922 570459979 /nfs/dbraw/zinc/45/99/79/570459979.db2.gz HHAGVIREKUTBFH-QHCPKHFHSA-N 1 0 394.559 4.792 40 0 GJABRO COc1cccc(-c2csc(N3CC[NH+](Cc4cc(C)ccc4C)CC3)n2)c1 ZINC000026416610 570464453 /nfs/dbraw/zinc/46/44/53/570464453.db2.gz QKUZXGGBNCJMAI-UHFFFAOYSA-N 1 0 393.556 4.758 40 0 GJABRO Cc1ccccc1CSCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645154 570522250 /nfs/dbraw/zinc/52/22/50/570522250.db2.gz GYXWMTWTXXKQEC-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl ZINC000008471295 570532085 /nfs/dbraw/zinc/53/20/85/570532085.db2.gz ISPNLVPQNVQXQW-HNNXBMFYSA-N 1 0 396.314 4.850 40 0 GJABRO Cc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000034387766 570533328 /nfs/dbraw/zinc/53/33/28/570533328.db2.gz VRLCIZMQEFOIJA-YVNJGZBMSA-N 1 0 381.589 4.587 40 0 GJABRO Cc1cc(NCCNC(=S)Nc2ccc3sncc3c2)c2ccccc2[nH+]1 ZINC000225214550 570557093 /nfs/dbraw/zinc/55/70/93/570557093.db2.gz SCPXNODRYZPFGP-UHFFFAOYSA-N 1 0 393.541 4.551 40 0 GJABRO COc1cc(C)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)cc1C ZINC000036740379 570568704 /nfs/dbraw/zinc/56/87/04/570568704.db2.gz FNHCNRYAWCNYHY-UHFFFAOYSA-N 1 0 381.495 4.740 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1 ZINC000038834918 570586333 /nfs/dbraw/zinc/58/63/33/570586333.db2.gz DUJQEYFKQDVOQJ-UHFFFAOYSA-N 1 0 387.321 4.933 40 0 GJABRO O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848661 570587193 /nfs/dbraw/zinc/58/71/93/570587193.db2.gz YLCOPMBCKHQKBV-INIZCTEOSA-N 1 0 395.305 4.661 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225618889 570594559 /nfs/dbraw/zinc/59/45/59/570594559.db2.gz MERZXCVAFBYIOE-PWHSHALESA-N 1 0 390.568 4.577 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC(C)CC1 ZINC000225668448 570600641 /nfs/dbraw/zinc/60/06/41/570600641.db2.gz ODSQWGRXFRHOQX-UHFFFAOYSA-N 1 0 390.568 4.721 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225688815 570603310 /nfs/dbraw/zinc/60/33/10/570603310.db2.gz ADCBJVWJXQDTNH-CVDCTZTESA-N 1 0 390.568 4.720 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699138 570605498 /nfs/dbraw/zinc/60/54/98/570605498.db2.gz PHJVMOVURMATTA-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012135122 570614115 /nfs/dbraw/zinc/61/41/15/570614115.db2.gz JZIZAFMPKVRZTL-KEVCNVLYSA-N 1 0 394.559 4.507 40 0 GJABRO C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030943680 570630431 /nfs/dbraw/zinc/63/04/31/570630431.db2.gz YOUPGUBFZYNQOW-RXVVDRJESA-N 1 0 384.951 4.690 40 0 GJABRO CCc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004856772 570638438 /nfs/dbraw/zinc/63/84/38/570638438.db2.gz GBWQJXIOSXCDEM-FRIKZZABSA-N 1 0 379.573 4.731 40 0 GJABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1C ZINC000044911723 570642466 /nfs/dbraw/zinc/64/24/66/570642466.db2.gz SLBXNXRVHXKTAZ-UHFFFAOYSA-N 1 0 394.515 4.800 40 0 GJABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044937229 570644426 /nfs/dbraw/zinc/64/44/26/570644426.db2.gz NNSCVDGDCZOQCU-DEOSSOPVSA-N 1 0 394.559 4.811 40 0 GJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260816903 570708558 /nfs/dbraw/zinc/70/85/58/570708558.db2.gz RRQOBYREHLJHKT-LJQANCHMSA-N 1 0 388.552 4.618 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc3ccccc32)cc1 ZINC000006629901 570748187 /nfs/dbraw/zinc/74/81/87/570748187.db2.gz JZDMJLMAJSAJDO-UHFFFAOYSA-N 1 0 391.540 4.808 40 0 GJABRO C[C@H](O)C[N@H+](Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991957 570868993 /nfs/dbraw/zinc/86/89/93/570868993.db2.gz YKNVHOYEWODJAT-KRWDZBQOSA-N 1 0 393.458 4.604 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 ZINC000016349339 570922860 /nfs/dbraw/zinc/92/28/60/570922860.db2.gz WJYZEPFXLOBDLV-UHFFFAOYSA-N 1 0 391.511 4.924 40 0 GJABRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585108046 570939724 /nfs/dbraw/zinc/93/97/24/570939724.db2.gz XOMRSLXDYZPEBI-ZHHKINOHSA-N 1 0 386.967 4.557 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081711 570956337 /nfs/dbraw/zinc/95/63/37/570956337.db2.gz LRGFKSWVIAQCKE-FYYLOGMGSA-N 1 0 393.575 4.772 40 0 GJABRO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000019376327 570982268 /nfs/dbraw/zinc/98/22/68/570982268.db2.gz AYIMCDUANAPSQZ-SFHVURJKSA-N 1 0 393.874 4.633 40 0 GJABRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450766 570985130 /nfs/dbraw/zinc/98/51/30/570985130.db2.gz XACCGWRZEZBWIL-LJQANCHMSA-N 1 0 379.504 4.738 40 0 GJABRO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745315 570992858 /nfs/dbraw/zinc/99/28/58/570992858.db2.gz UWADVROSAKPYEC-FGCOXFRFSA-N 1 0 382.592 4.758 40 0 GJABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564321 571007064 /nfs/dbraw/zinc/00/70/64/571007064.db2.gz KIYMCDCOIWLGHE-AWEZNQCLSA-N 1 0 375.394 4.988 40 0 GJABRO COCCn1cc(C[NH2+]C2(c3ccc(OC)cc3)CCCC2)c2ccccc21 ZINC000019594212 571020291 /nfs/dbraw/zinc/02/02/91/571020291.db2.gz RXZACRHXFYWVIK-UHFFFAOYSA-N 1 0 378.516 4.855 40 0 GJABRO CCn1cc(C[NH+]2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)c(C)n1 ZINC000019690502 571029101 /nfs/dbraw/zinc/02/91/01/571029101.db2.gz FZGCSFJNKKKQJR-UHFFFAOYSA-N 1 0 392.522 4.716 40 0 GJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019714573 571036073 /nfs/dbraw/zinc/03/60/73/571036073.db2.gz SJPUAQGMCCJSQD-HXUWFJFHSA-N 1 0 375.516 4.779 40 0 GJABRO c1cc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cs1 ZINC000096038317 571097147 /nfs/dbraw/zinc/09/71/47/571097147.db2.gz GBYBLQPKORHCNW-UHFFFAOYSA-N 1 0 389.528 4.914 40 0 GJABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564372 210266130 /nfs/dbraw/zinc/26/61/30/210266130.db2.gz PHJCMCLWVSAODZ-CQSZACIVSA-N 1 0 387.430 4.857 40 0 GJABRO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408610701 231078838 /nfs/dbraw/zinc/07/88/38/231078838.db2.gz ROEIWOOYQMQPFS-SFHVURJKSA-N 1 0 389.326 4.656 40 0 GJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019081667 210225253 /nfs/dbraw/zinc/22/52/53/210225253.db2.gz PXJPLGCQULKLAG-GUDVDZBRSA-N 1 0 388.602 4.672 40 0 GJABRO Cn1c(-c2ccc(C(F)(F)F)cc2)n[n+]2cc(C(F)(F)F)cc(Cl)c12 ZINC000002557806 209369627 /nfs/dbraw/zinc/36/96/27/209369627.db2.gz JPLDECUSIQPHSR-UHFFFAOYSA-N 1 0 380.699 4.517 40 0 GJABRO C[N@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)C[C@@H]1CC2 ZINC000004076194 204026255 /nfs/dbraw/zinc/02/62/55/204026255.db2.gz CYJGIDCBUJBZAX-RTWAWAEBSA-N 1 0 380.919 4.775 40 0 GJABRO CC[NH+](CC)CCCN(C(=O)C1CC1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214940 204033030 /nfs/dbraw/zinc/03/30/30/204033030.db2.gz NPVOFDLTTFTQME-UHFFFAOYSA-N 1 0 391.968 4.938 40 0 GJABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882367 204085889 /nfs/dbraw/zinc/08/58/89/204085889.db2.gz FDCPAJMDKGYAQB-SEJPIABJSA-N 1 0 393.531 4.793 40 0 GJABRO COc1ccc(-c2ccc(C[NH2+]CCCSc3ncccn3)o2)cc1Cl ZINC000004984215 204099636 /nfs/dbraw/zinc/09/96/36/204099636.db2.gz QUALYRFQEGDEJD-UHFFFAOYSA-N 1 0 389.908 4.671 40 0 GJABRO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035289092 204148307 /nfs/dbraw/zinc/14/83/07/204148307.db2.gz YWXMVOUIRFGRES-FRIKZZABSA-N 1 0 379.573 4.785 40 0 GJABRO COc1ccccc1OCCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1 ZINC000007343622 204239786 /nfs/dbraw/zinc/23/97/86/204239786.db2.gz BTFIAZMZTSOWBV-GOSISDBHSA-N 1 0 379.504 4.671 40 0 GJABRO CCOCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OCC)c1 ZINC000008253186 204267587 /nfs/dbraw/zinc/26/75/87/204267587.db2.gz GNENKLNLPRYUTP-UHFFFAOYSA-N 1 0 377.912 4.834 40 0 GJABRO c1cnc(Nc2cccc(C3CC[NH+](Cc4cccc5ncccc45)CC3)n2)nc1 ZINC000257261035 212013330 /nfs/dbraw/zinc/01/33/30/212013330.db2.gz LFLZMOHVMUJYNP-UHFFFAOYSA-N 1 0 396.498 4.543 40 0 GJABRO CCCc1cc(C(=O)N2Cc3ccccc3OC3(CCC([NH2+]C)CC3)C2)cs1 ZINC000019525260 204650323 /nfs/dbraw/zinc/65/03/23/204650323.db2.gz QPUYNSJJWWKSQC-UHFFFAOYSA-N 1 0 398.572 4.636 40 0 GJABRO CCOc1ccc(CCC(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc1OCC ZINC000044849264 205088067 /nfs/dbraw/zinc/08/80/67/205088067.db2.gz IZBDLAVNARSZFP-UHFFFAOYSA-N 1 0 398.547 4.897 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)c(C)c1 ZINC000044856525 205088698 /nfs/dbraw/zinc/08/86/98/205088698.db2.gz GXLZQHCYFXYIOC-QHCPKHFHSA-N 1 0 382.523 4.922 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000044918621 205091340 /nfs/dbraw/zinc/09/13/40/205091340.db2.gz JRTWPQZASLBWHL-PGRDOPGGSA-N 1 0 392.543 4.951 40 0 GJABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044932265 205091366 /nfs/dbraw/zinc/09/13/66/205091366.db2.gz ZBUXUXBPHSKZFJ-IBGZPJMESA-N 1 0 380.532 4.636 40 0 GJABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072358897 205334262 /nfs/dbraw/zinc/33/42/62/205334262.db2.gz PHVMGSBAVAVVDI-OAQYLSRUSA-N 1 0 387.527 4.964 40 0 GJABRO Fc1cccc(C[N@@H+]2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369967 205336648 /nfs/dbraw/zinc/33/66/48/205336648.db2.gz HIILOTCVBLTGSW-HNNXBMFYSA-N 1 0 391.368 4.884 40 0 GJABRO O=C(OCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000079438711 205382928 /nfs/dbraw/zinc/38/29/28/205382928.db2.gz PBVXAIKUVNEOID-QGZVFWFLSA-N 1 0 378.299 4.949 40 0 GJABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224552127 206023242 /nfs/dbraw/zinc/02/32/42/206023242.db2.gz JVCAWQCBMRIPRN-UHFFFAOYSA-N 1 0 388.486 4.928 40 0 GJABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224757520 206027743 /nfs/dbraw/zinc/02/77/43/206027743.db2.gz TWETYQBNUGFQFY-CSKARUKUSA-N 1 0 389.326 4.919 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225731005 206071382 /nfs/dbraw/zinc/07/13/82/206071382.db2.gz WLIYZAFPEQDQGY-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225607579 206060399 /nfs/dbraw/zinc/06/03/99/206060399.db2.gz IMMUUUFMRMEUBZ-CVDCTZTESA-N 1 0 390.568 4.720 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225693443 206067242 /nfs/dbraw/zinc/06/72/42/206067242.db2.gz CAYSVUYSXMTPMQ-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000225786952 206076192 /nfs/dbraw/zinc/07/61/92/206076192.db2.gz AGIDWLAFPSQXLD-KRWDZBQOSA-N 1 0 384.951 4.992 40 0 GJABRO Clc1ccc(C[NH2+]C[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 ZINC000096269347 206121486 /nfs/dbraw/zinc/12/14/86/206121486.db2.gz DWKDCATYIBGBTP-SFHVURJKSA-N 1 0 388.298 4.546 40 0 biogenic,in-vitro GJABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 ZINC000257269075 206170211 /nfs/dbraw/zinc/17/02/11/206170211.db2.gz MOLXPTYORURROM-KRWDZBQOSA-N 1 0 381.520 4.894 40 0 GJABRO C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)CC[C@@H](C)c3ccccc3)n(C)n2)CC1 ZINC000100687704 211388350 /nfs/dbraw/zinc/38/83/50/211388350.db2.gz NZDNDERJOJHPRF-SJBKTWHCSA-N 1 0 382.596 4.539 40 0 GJABRO COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2C3)c1 ZINC000096145661 211309486 /nfs/dbraw/zinc/30/94/86/211309486.db2.gz DZYKWMPUULGQEB-GGAORHGYSA-N 1 0 399.538 4.740 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CC4)c4ccccc43)CC2)s1 ZINC000096052981 211297293 /nfs/dbraw/zinc/29/72/93/211297293.db2.gz ROQXHNLUJLWXAF-SFHVURJKSA-N 1 0 394.584 4.746 40 0 GJABRO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](CC[C@H](C)c3ccc(C)o3)C2)on1 ZINC000072396704 211111721 /nfs/dbraw/zinc/11/17/21/211111721.db2.gz GYYQDWYCEHWADR-BBRMVZONSA-N 1 0 386.521 4.776 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359402 211101229 /nfs/dbraw/zinc/10/12/29/211101229.db2.gz QFFMXPQCCWEANL-SFHVURJKSA-N 1 0 398.432 4.937 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc(C3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000072359407 211100842 /nfs/dbraw/zinc/10/08/42/211100842.db2.gz LTJHKYPHZGQFCW-UHFFFAOYSA-N 1 0 398.432 4.937 40 0 GJABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353199 211097277 /nfs/dbraw/zinc/09/72/77/211097277.db2.gz YIDIBYUEDGTZRQ-QFIPXVFZSA-N 1 0 390.535 4.952 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350246 211097486 /nfs/dbraw/zinc/09/74/86/211097486.db2.gz XLKAIZQKKYPVMT-LJQANCHMSA-N 1 0 376.479 4.620 40 0 GJABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000019719652 210289701 /nfs/dbraw/zinc/28/97/01/210289701.db2.gz ULKJRMAHSIACKM-LJQANCHMSA-N 1 0 381.499 4.539 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000253504567 560037796 /nfs/dbraw/zinc/03/77/96/560037796.db2.gz HLKCYOOWMVLNED-LRVLYQPQSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO c1coc(C[NH2+][C@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079060 570210056 /nfs/dbraw/zinc/21/00/56/570210056.db2.gz PZDGVHBAGBEZJN-FQEVSTJZSA-N 1 0 379.529 4.505 40 0 GJABRO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329029686 570213870 /nfs/dbraw/zinc/21/38/70/570213870.db2.gz QAEBHFQZZNXHKC-MRXNPFEDSA-N 1 0 382.552 4.601 40 0 GJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253052 570251571 /nfs/dbraw/zinc/25/15/71/570251571.db2.gz FAACTDGNFHHGQS-XWGVYQGASA-N 1 0 399.506 4.711 40 0 GJABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000585289725 570257857 /nfs/dbraw/zinc/25/78/57/570257857.db2.gz WFWWNEIHXCDVHN-IPMKNSEASA-N 1 0 399.840 4.809 40 0 GJABRO CCc1cccc2c(CN(Cc3cccnc3)C[C@@H]3CCC[N@H+]3CC)c[nH]c21 ZINC000022931809 570379380 /nfs/dbraw/zinc/37/93/80/570379380.db2.gz QWCSIGIPBVAWRY-QFIPXVFZSA-N 1 0 376.548 4.612 40 0 GJABRO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000004883302 570415342 /nfs/dbraw/zinc/41/53/42/570415342.db2.gz SBOOOUKSUDFDPX-YQQQUEKLSA-N 1 0 399.560 4.854 40 0 GJABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3cccc4ccccc43)cc2)CC1 ZINC000222681099 570420407 /nfs/dbraw/zinc/42/04/07/570420407.db2.gz RXDPEDPUOBIYDV-UHFFFAOYSA-N 1 0 388.511 4.884 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1CC[C@H](C)[C@H](C)[C@@H]1C ZINC000005047946 570425934 /nfs/dbraw/zinc/42/59/34/570425934.db2.gz DSDOVAAVIZFCDR-WIRGQOOTSA-N 1 0 381.601 4.501 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000039761942 570445591 /nfs/dbraw/zinc/44/55/91/570445591.db2.gz AHTZYSNSXNARLB-UHFFFAOYSA-N 1 0 376.422 4.865 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000039753926 570447536 /nfs/dbraw/zinc/44/75/36/570447536.db2.gz WLTHRKSQESCETA-UHFFFAOYSA-N 1 0 376.422 4.865 40 0 GJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039749221 570447589 /nfs/dbraw/zinc/44/75/89/570447589.db2.gz CXWYMTCCOSFYQQ-UHFFFAOYSA-N 1 0 396.600 4.565 40 0 GJABRO Cc1ccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)cc1Cl ZINC000242975764 570457342 /nfs/dbraw/zinc/45/73/42/570457342.db2.gz HPQQMIZBABKKKA-UHFFFAOYSA-N 1 0 381.911 4.823 40 0 GJABRO Cc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000244046844 570458348 /nfs/dbraw/zinc/45/83/48/570458348.db2.gz SZUZGPXLNLFYLR-UHFFFAOYSA-N 1 0 381.911 4.823 40 0 GJABRO C[NH+](C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)n1 ZINC000244531039 570458881 /nfs/dbraw/zinc/45/88/81/570458881.db2.gz ZTBBUTSVUOVONN-UHFFFAOYSA-N 1 0 385.874 4.653 40 0 GJABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000224411566 570512405 /nfs/dbraw/zinc/51/24/05/570512405.db2.gz RUIBWTRAOHIMJI-IRLDBZIGSA-N 1 0 398.522 4.622 40 0 GJABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683461 570524495 /nfs/dbraw/zinc/52/44/95/570524495.db2.gz PBCXRZODIICOHD-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008253150 570525696 /nfs/dbraw/zinc/52/56/96/570525696.db2.gz FWDDLEOSRSSBMI-UHFFFAOYSA-N 1 0 381.875 4.583 40 0 GJABRO O=C(NCCSC1CCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225332531 570565153 /nfs/dbraw/zinc/56/51/53/570565153.db2.gz VLOWOWVSJDOWLZ-UHFFFAOYSA-N 1 0 394.584 4.651 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C ZINC000036752958 570570085 /nfs/dbraw/zinc/57/00/85/570570085.db2.gz QKKVOJSJXZIHFN-QFIPXVFZSA-N 1 0 379.479 4.725 40 0 GJABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225516165 570582707 /nfs/dbraw/zinc/58/27/07/570582707.db2.gz OCHXJGWTDGIDAH-UHFFFAOYSA-N 1 0 384.495 4.607 40 0 GJABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 ZINC000225522782 570583608 /nfs/dbraw/zinc/58/36/08/570583608.db2.gz KIXMDTJGIBMYHI-UHFFFAOYSA-N 1 0 386.923 4.731 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225738557 570611558 /nfs/dbraw/zinc/61/15/58/570611558.db2.gz GLHSCGYEQQACQA-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004230368 570624332 /nfs/dbraw/zinc/62/43/32/570624332.db2.gz UHAVCMUJIZMVIX-QFIPXVFZSA-N 1 0 381.568 4.830 40 0 GJABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875325 570637577 /nfs/dbraw/zinc/63/75/77/570637577.db2.gz UZROWMDZQHYKIT-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(C)c(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)c1 ZINC000004858619 570639318 /nfs/dbraw/zinc/63/93/18/570639318.db2.gz UKIIAQCHJQNGLF-UHFFFAOYSA-N 1 0 393.560 4.524 40 0 GJABRO CC[NH+](CC)CCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn31)CCCC2 ZINC000004980648 570655872 /nfs/dbraw/zinc/65/58/72/570655872.db2.gz CQYQBZAEDLXQIK-UHFFFAOYSA-N 1 0 395.526 4.558 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816719 570707185 /nfs/dbraw/zinc/70/71/85/570707185.db2.gz NSTWCSJPGHITCT-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812467 570707222 /nfs/dbraw/zinc/70/72/22/570707222.db2.gz BZNMRHAHOPRWJI-WMZHIEFXSA-N 1 0 390.568 4.577 40 0 GJABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000260922448 570714493 /nfs/dbraw/zinc/71/44/93/570714493.db2.gz GSWWDFXTXDVUCL-OALUTQOASA-N 1 0 376.544 4.898 40 0 GJABRO O=C(NCCCc1ccccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013668330 570770059 /nfs/dbraw/zinc/77/00/59/570770059.db2.gz ADIYXBLBXFHTPR-UHFFFAOYSA-N 1 0 384.523 4.608 40 0 GJABRO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100352 570924499 /nfs/dbraw/zinc/92/44/99/570924499.db2.gz GDGUIBIOAVFBQM-JOCHJYFZSA-N 1 0 388.458 4.527 40 0 GJABRO CC[N@H+](Cc1ccccc1)C1CCN(Cc2cc3cc(OC)ccc3[nH]2)CC1 ZINC000019526648 210256470 /nfs/dbraw/zinc/25/64/70/210256470.db2.gz VCHZJGCOPGQPBB-UHFFFAOYSA-N 1 0 377.532 4.663 40 0 GJABRO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000019524920 210255938 /nfs/dbraw/zinc/25/59/38/210255938.db2.gz JMPYGEJANCLVON-OAQYLSRUSA-N 1 0 380.492 4.684 40 0 GJABRO FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000019332587 210241446 /nfs/dbraw/zinc/24/14/46/210241446.db2.gz IUVRKANPQLYVDC-OAHLLOKOSA-N 1 0 399.420 4.768 40 0 GJABRO Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(C[NH2+]C4CCCC4)cc23)cc1 ZINC000035533910 209193897 /nfs/dbraw/zinc/19/38/97/209193897.db2.gz UVGFZRPUWJMRIR-UHFFFAOYSA-N 1 0 398.510 4.721 40 0 GJABRO COc1cc(N)c([C@@H]2[NH2+][C@@H](C)Cc3c4cc(F)c(Cl)cc4[nH]c32)cc1Cl ZINC000261508973 212031761 /nfs/dbraw/zinc/03/17/61/212031761.db2.gz YSJVBYYUXMVASZ-RLBGWGEZSA-N 1 0 394.277 4.828 40 0 GJABRO Cc1nc(Nc2cncc(C3CC[NH+](CCc4ccccc4)CC3)n2)sc1C ZINC000257343366 212027496 /nfs/dbraw/zinc/02/74/96/212027496.db2.gz ZSRLIURDCIBMPC-UHFFFAOYSA-N 1 0 393.560 4.716 40 0 GJABRO CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CC[NH+](CC2CC2)CC1 ZINC000257312786 212022717 /nfs/dbraw/zinc/02/27/17/212022717.db2.gz UPLZVZLYRDTIOL-UHFFFAOYSA-N 1 0 396.600 4.974 40 0 GJABRO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000004882383 204086209 /nfs/dbraw/zinc/08/62/09/204086209.db2.gz CYLXYPXMRXCLCA-FRIKZZABSA-N 1 0 393.531 4.793 40 0 GJABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682131 211869342 /nfs/dbraw/zinc/86/93/42/211869342.db2.gz HLHZPMIOQJJFHK-HXUWFJFHSA-N 1 0 394.559 4.880 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 ZINC000038833965 205038358 /nfs/dbraw/zinc/03/83/58/205038358.db2.gz RMPAKOIEQZXBLS-HNNXBMFYSA-N 1 0 387.321 4.933 40 0 GJABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277800 205084128 /nfs/dbraw/zinc/08/41/28/205084128.db2.gz AYCUBGDKPDSQFQ-UHFFFAOYSA-N 1 0 386.499 4.532 40 0 GJABRO C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873349 205088459 /nfs/dbraw/zinc/08/84/59/205088459.db2.gz LKRIZDFRAGTLJE-LJQANCHMSA-N 1 0 382.573 4.611 40 0 GJABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350654 205332386 /nfs/dbraw/zinc/33/23/86/205332386.db2.gz NMUKASUATLUVPG-NRFANRHFSA-N 1 0 389.547 4.598 40 0 GJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358106 205334445 /nfs/dbraw/zinc/33/44/45/205334445.db2.gz BHLVVDLWZGGNKP-RUZDIDTESA-N 1 0 385.511 4.968 40 0 GJABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000072372463 205338683 /nfs/dbraw/zinc/33/86/83/205338683.db2.gz HOWZKFOSCNPMHE-DEOSSOPVSA-N 1 0 390.531 4.543 40 0 GJABRO COc1ccccc1C1([NH2+]Cc2ccccc2OC[C@H]2CCCO2)CCCC1 ZINC000013998201 205894015 /nfs/dbraw/zinc/89/40/15/205894015.db2.gz GMPJUJHVSFMRQG-HXUWFJFHSA-N 1 0 381.516 4.812 40 0 GJABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837782 206029805 /nfs/dbraw/zinc/02/98/05/206029805.db2.gz AUFUZLOEWBXZKN-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 ZINC000225544784 206054233 /nfs/dbraw/zinc/05/42/33/206054233.db2.gz FALQGDOBSZKKKR-UHFFFAOYSA-N 1 0 384.495 4.607 40 0 GJABRO FC(F)(F)c1cc(NC(=S)NCCC[NH+]2CCCCCC2)ccc1Cl ZINC000225399583 206045300 /nfs/dbraw/zinc/04/53/00/206045300.db2.gz WQJGVOCAWRBGNY-UHFFFAOYSA-N 1 0 393.906 4.911 40 0 GJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225581690 206058840 /nfs/dbraw/zinc/05/88/40/206058840.db2.gz KYYRESDMIFGMHX-MRXNPFEDSA-N 1 0 398.414 4.699 40 0 GJABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCCCC1 ZINC000225630859 206062012 /nfs/dbraw/zinc/06/20/12/206062012.db2.gz JRPVYWVMMNSLCP-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225744741 206072867 /nfs/dbraw/zinc/07/28/67/206072867.db2.gz RVVADOFKASTZQY-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257296319 206175320 /nfs/dbraw/zinc/17/53/20/206175320.db2.gz RCFNPXSGKPSHNM-LJQANCHMSA-N 1 0 386.499 4.899 40 0 GJABRO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745024 206214785 /nfs/dbraw/zinc/21/47/85/206214785.db2.gz WMWDKSUEACMBLJ-HSZRJFAPSA-N 1 0 394.534 4.519 40 0 GJABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCc2ccccc2Cl)Cc2c[nH]c3cccc1c23 ZINC000049171379 211459388 /nfs/dbraw/zinc/45/93/88/211459388.db2.gz PQPOVTZTSXROCV-SFTDATJTSA-N 1 0 395.934 4.739 40 0 biogenic,in-vitro GJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053307 211298032 /nfs/dbraw/zinc/29/80/32/211298032.db2.gz NCYUHKXZIUUONS-GOSISDBHSA-N 1 0 398.572 4.564 40 0 GJABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccsc5)CC4)nn3c2)c1 ZINC000096038196 211296944 /nfs/dbraw/zinc/29/69/44/211296944.db2.gz LNSZAYDSGASZSL-UHFFFAOYSA-N 1 0 392.503 4.977 40 0 GJABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072358898 211100999 /nfs/dbraw/zinc/10/09/99/211100999.db2.gz PHVMGSBAVAVVDI-NRFANRHFSA-N 1 0 387.527 4.964 40 0 GJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330597 211091606 /nfs/dbraw/zinc/09/16/06/211091606.db2.gz YJEJBOYWILOFSN-UGKGYDQZSA-N 1 0 397.950 4.605 40 0 GJABRO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020450554 210335992 /nfs/dbraw/zinc/33/59/92/210335992.db2.gz TZEPNDJWXDRQSY-LJQANCHMSA-N 1 0 396.600 4.890 40 0 GJABRO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020450556 210335063 /nfs/dbraw/zinc/33/50/63/210335063.db2.gz TZEPNDJWXDRQSY-IBGZPJMESA-N 1 0 396.600 4.890 40 0 GJABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020040779 210312395 /nfs/dbraw/zinc/31/23/95/210312395.db2.gz XUPDXYJBEOOVPC-UHFFFAOYSA-N 1 0 394.515 4.656 40 0 GJABRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC ZINC000019658409 210278295 /nfs/dbraw/zinc/27/82/95/210278295.db2.gz XOZSRFVHVNYKPZ-NRFANRHFSA-N 1 0 389.499 4.806 40 0 GJABRO CCOc1cc(C[NH2+]CCc2ccccc2F)cc(Br)c1OCC ZINC000022074646 221552822 /nfs/dbraw/zinc/55/28/22/221552822.db2.gz QWBFSEPDJDEVQZ-UHFFFAOYSA-N 1 0 396.300 4.718 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000039743575 533917308 /nfs/dbraw/zinc/91/73/08/533917308.db2.gz UHTMIRRNOKFUIW-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CC4)C=C3C)nc2c1 ZINC000077262162 560046680 /nfs/dbraw/zinc/04/66/80/560046680.db2.gz QHMAEEPXIOPHFY-ZJOUEHCJSA-N 1 0 381.564 4.968 40 0 biogenic,in-vitro GJABRO Clc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049169422 560084349 /nfs/dbraw/zinc/08/43/49/560084349.db2.gz VOBCIZMIGVQRET-HNNXBMFYSA-N 1 0 378.863 4.861 40 0 biogenic,in-vitro GJABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C ZINC000019719666 570210560 /nfs/dbraw/zinc/21/05/60/570210560.db2.gz QUBDBBDVSOBXCY-FQEVSTJZSA-N 1 0 377.536 4.708 40 0 GJABRO CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000000607289 570210633 /nfs/dbraw/zinc/21/06/33/570210633.db2.gz AEJOEPSMZCEYJN-HXUWFJFHSA-N 1 0 391.342 4.831 40 0 in-vivo GJABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625793 570231586 /nfs/dbraw/zinc/23/15/86/570231586.db2.gz PKRQHETWMNFCRA-UHFFFAOYSA-N 1 0 397.950 4.791 40 0 GJABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000585270877 570239132 /nfs/dbraw/zinc/23/91/32/570239132.db2.gz CGFOVYZNEAJDPG-HSZRJFAPSA-N 1 0 398.934 4.926 40 0 GJABRO c1ccc(CNc2nc(NCc3ccccc3)[nH+]c(NCc3ccccc3)n2)cc1 ZINC000003158676 570331251 /nfs/dbraw/zinc/33/12/51/570331251.db2.gz WNHWOHOTTGCSET-UHFFFAOYSA-N 1 0 396.498 4.708 40 0 GJABRO Cc1ccc(S[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000024650703 570388836 /nfs/dbraw/zinc/38/88/36/570388836.db2.gz RFBJFEORZOQSRD-LJQANCHMSA-N 1 0 382.573 4.778 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 ZINC000004887958 570421400 /nfs/dbraw/zinc/42/14/00/570421400.db2.gz SGLJFUYVBSASKN-SEJPIABJSA-N 1 0 397.494 4.542 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)CC1 ZINC000222706682 570421557 /nfs/dbraw/zinc/42/15/57/570421557.db2.gz DCPKOTJSHHAQJH-UHFFFAOYSA-N 1 0 392.528 4.689 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222974350 570434363 /nfs/dbraw/zinc/43/43/63/570434363.db2.gz FMVZSZDWRNYMCN-IBGZPJMESA-N 1 0 376.544 4.655 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222976191 570434639 /nfs/dbraw/zinc/43/46/39/570434639.db2.gz QVCKCWKKQPEKGX-SFHVURJKSA-N 1 0 394.534 4.794 40 0 GJABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222975754 570434654 /nfs/dbraw/zinc/43/46/54/570434654.db2.gz AYVLMLDXJPEKAG-QFIPXVFZSA-N 1 0 396.531 4.573 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccc(Cl)cc3)CC2)cc1 ZINC000039762075 570445665 /nfs/dbraw/zinc/44/56/65/570445665.db2.gz XESUILSAOLQIJK-UHFFFAOYSA-N 1 0 384.951 4.609 40 0 GJABRO CC(C)(C[NH+]1CCCCC1)C(=O)C[C@H](SCC[NH3+])c1ccc(Cl)cc1 ZINC000005714966 570452665 /nfs/dbraw/zinc/45/26/65/570452665.db2.gz LMVNYERSUUNDTO-SFHVURJKSA-N 1 0 383.001 4.544 40 0 GJABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220863 570452736 /nfs/dbraw/zinc/45/27/36/570452736.db2.gz WMTWELPEQYKZNJ-HNNXBMFYSA-N 1 0 393.314 4.853 40 0 GJABRO CCCOC(C(=O)O[C@@H]1CC[C@H]2CC[C@@H]1[N@@H+]2C)(c1ccccc1)c1ccccc1 ZINC000005785209 570456390 /nfs/dbraw/zinc/45/63/90/570456390.db2.gz HKGIWDBWRYKYTC-XPWALMASSA-N 1 0 393.527 4.525 40 0 GJABRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296111 570457556 /nfs/dbraw/zinc/45/75/56/570457556.db2.gz UGTWBJYJTAWASN-HXUWFJFHSA-N 1 0 397.906 4.808 40 0 GJABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006355909 570477793 /nfs/dbraw/zinc/47/77/93/570477793.db2.gz STEUGUDCLGDMGA-OFNKIYASSA-N 1 0 381.560 4.895 40 0 GJABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224000231 570493577 /nfs/dbraw/zinc/49/35/77/570493577.db2.gz ABCULTBGUUJLII-UHFFFAOYSA-N 1 0 398.919 4.707 40 0 GJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)/C(=C/c1ccco1)c1ccccc1 ZINC000224758665 570529491 /nfs/dbraw/zinc/52/94/91/570529491.db2.gz LQQUYGALZUUFKW-JJIBRWJFSA-N 1 0 386.495 4.732 40 0 GJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1CCc1ccccc1 ZINC000224782538 570530531 /nfs/dbraw/zinc/53/05/31/570530531.db2.gz DDOOWXIMRNZDON-UHFFFAOYSA-N 1 0 398.550 4.998 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1 ZINC000224968630 570540320 /nfs/dbraw/zinc/54/03/20/570540320.db2.gz UYNMMNRHTCAHMP-UHFFFAOYSA-N 1 0 391.559 4.836 40 0 GJABRO O=C(N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734725 570568653 /nfs/dbraw/zinc/56/86/53/570568653.db2.gz ZXIGFMHJUXKYEJ-GGAORHGYSA-N 1 0 395.522 4.623 40 0 GJABRO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038857372 570588444 /nfs/dbraw/zinc/58/84/44/570588444.db2.gz NJSKAOXAGMFJME-KRWDZBQOSA-N 1 0 377.315 4.522 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225622929 570595536 /nfs/dbraw/zinc/59/55/36/570595536.db2.gz JJYISHUFBGRJHJ-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225699489 570605533 /nfs/dbraw/zinc/60/55/33/570605533.db2.gz ZTLSKJDAZGGXMC-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699102 570605585 /nfs/dbraw/zinc/60/55/85/570605585.db2.gz PHJVMOVURMATTA-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000225786931 570617659 /nfs/dbraw/zinc/61/76/59/570617659.db2.gz AGIDWLAFPSQXLD-QGZVFWFLSA-N 1 0 384.951 4.992 40 0 GJABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260772616 570704809 /nfs/dbraw/zinc/70/48/09/570704809.db2.gz VEZJISYRRKDPLK-AWEZNQCLSA-N 1 0 390.578 4.523 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814750 570707807 /nfs/dbraw/zinc/70/78/07/570707807.db2.gz NBYZTEJFSXBZJX-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccs3)c(OC)c2)cc1 ZINC000007523898 570760413 /nfs/dbraw/zinc/76/04/13/570760413.db2.gz RERZNPUQTXZKKB-UHFFFAOYSA-N 1 0 383.513 4.677 40 0 GJABRO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063288 570773777 /nfs/dbraw/zinc/77/37/77/570773777.db2.gz BPTYPDINAPIDDU-UHFFFAOYSA-N 1 0 377.315 4.522 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000009063104 570773812 /nfs/dbraw/zinc/77/38/12/570773812.db2.gz LCUBOXMXIVXLKX-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO C=Cn1ncc(CN(Cc2ccc(OC)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000013992592 570869002 /nfs/dbraw/zinc/86/90/02/570869002.db2.gz KEDZLOMELBDCBY-UHFFFAOYSA-N 1 0 396.579 4.612 40 0 GJABRO COCCC[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccccn1 ZINC000019593273 571019818 /nfs/dbraw/zinc/01/98/18/571019818.db2.gz FNHSWXMUYQCBGH-UHFFFAOYSA-N 1 0 378.520 4.654 40 0 GJABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564345 210263682 /nfs/dbraw/zinc/26/36/82/210263682.db2.gz ZMLZADDVPYSEKB-AWEZNQCLSA-N 1 0 375.394 4.988 40 0 GJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019522019 210255229 /nfs/dbraw/zinc/25/52/29/210255229.db2.gz MTXQUXRIBWFQOP-CQSZACIVSA-N 1 0 390.409 4.579 40 0 GJABRO Fc1ccc(-c2cnc(-c3ccncc3)c(C[NH2+]CCc3ccccn3)c2)cc1 ZINC000019401358 210248270 /nfs/dbraw/zinc/24/82/70/210248270.db2.gz WPQZHMMZYBHGTE-UHFFFAOYSA-N 1 0 384.458 4.677 40 0 GJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](CCOc4ccc(F)cc4)C3)o2)s1 ZINC000019217602 210230238 /nfs/dbraw/zinc/23/02/38/210230238.db2.gz QSDLMOFGNGXQAQ-HNNXBMFYSA-N 1 0 387.480 4.504 40 0 GJABRO Cc1ccc(C)c([C@H](NC(=O)CCC[NH+]2CCCCCC2)c2ccncc2)c1 ZINC000019132223 210228195 /nfs/dbraw/zinc/22/81/95/210228195.db2.gz XFYLRCDGTONMDR-XMMPIXPASA-N 1 0 379.548 4.560 40 0 GJABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081750 210225082 /nfs/dbraw/zinc/22/50/82/210225082.db2.gz KUKVZNFEICBDBJ-IRLDBZIGSA-N 1 0 397.538 4.869 40 0 GJABRO CCN1c2ccccc2C[C@@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c2ccccc21 ZINC000005389809 209590358 /nfs/dbraw/zinc/59/03/58/209590358.db2.gz DANNGFZWNDZQKW-RUZDIDTESA-N 1 0 393.575 4.633 40 0 GJABRO c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000002504802 209367573 /nfs/dbraw/zinc/36/75/73/209367573.db2.gz HCQAWCPMLUNROW-UHFFFAOYSA-N 1 0 375.455 4.878 40 0 GJABRO CC[NH+](CC)CCOc1ccc([C@@](O)(Cc2ccccc2)c2ccccc2)cc1 ZINC000005311522 204124290 /nfs/dbraw/zinc/12/42/90/204124290.db2.gz ZHLXWJSSVXYFJC-AREMUKBSSA-N 1 0 389.539 4.886 40 0 GJABRO CCCC[NH+](CCCC)C[C@H](CN(CC)CC)OC(=O)Nc1ccccc1 ZINC000005973425 204159902 /nfs/dbraw/zinc/15/99/02/204159902.db2.gz YNMMCCYCCHKNIQ-NRFANRHFSA-N 1 0 377.573 4.848 40 0 GJABRO CCOc1ccc([C@](O)(CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000006411294 204177526 /nfs/dbraw/zinc/17/75/26/204177526.db2.gz YWXPOUZKRCMZLE-BAWHURIHSA-N 1 0 379.544 4.833 40 0 GJABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1 ZINC000006455825 204178896 /nfs/dbraw/zinc/17/88/96/204178896.db2.gz GXXOWKVSFUEDIJ-BSJQURJQSA-N 1 0 397.603 4.872 40 0 GJABRO CCOc1cc(C[NH2+]C2CCCCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000007523410 204243018 /nfs/dbraw/zinc/24/30/18/204243018.db2.gz NOOLWDNNEDOXQL-UHFFFAOYSA-N 1 0 390.568 4.581 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008253160 204268656 /nfs/dbraw/zinc/26/86/56/204268656.db2.gz XWZVVKTYUXIWDD-UHFFFAOYSA-N 1 0 396.300 4.683 40 0 GJABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000012135099 204374289 /nfs/dbraw/zinc/37/42/89/204374289.db2.gz SKMJAVSQFYVUKD-NYTJIUQPSA-N 1 0 377.315 4.508 40 0 GJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2oc3ccccc3c2C)CC1 ZINC000012292871 204389807 /nfs/dbraw/zinc/38/98/07/204389807.db2.gz PMFSJNARQLHTIU-UHFFFAOYSA-N 1 0 380.463 4.508 40 0 GJABRO O=C1CC2(CC[NH+](Cc3ccccc3)CC2)Oc2cc(C(F)(F)F)ccc21 ZINC000225822131 211930149 /nfs/dbraw/zinc/93/01/49/211930149.db2.gz YKJZSQAKAQDQBQ-UHFFFAOYSA-N 1 0 375.390 4.705 40 0 GJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044851485 205087315 /nfs/dbraw/zinc/08/73/15/205087315.db2.gz OFFKUVOQABXPAV-FQEVSTJZSA-N 1 0 394.559 4.680 40 0 GJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044855369 205087410 /nfs/dbraw/zinc/08/74/10/205087410.db2.gz HPSABWCOEOQMET-QFIPXVFZSA-N 1 0 392.543 4.626 40 0 GJABRO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044933003 205090792 /nfs/dbraw/zinc/09/07/92/205090792.db2.gz OVLRFYRORQPSGJ-JOCHJYFZSA-N 1 0 382.935 4.746 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3OC)n2)C1 ZINC000072350255 205331146 /nfs/dbraw/zinc/33/11/46/205331146.db2.gz FQUWKQQLXLNRKJ-GOSISDBHSA-N 1 0 388.515 4.574 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cnn1C ZINC000072353979 205332628 /nfs/dbraw/zinc/33/26/28/205332628.db2.gz YSCBOGKBNRQUOQ-NRFANRHFSA-N 1 0 392.522 4.541 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 ZINC000072358401 205333834 /nfs/dbraw/zinc/33/38/34/205333834.db2.gz PZWVZKBUOJUFJV-HXUWFJFHSA-N 1 0 389.499 4.540 40 0 GJABRO CC[C@@H](C)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008325886 205823687 /nfs/dbraw/zinc/82/36/87/205823687.db2.gz QNVSNRGMNRSHKL-CQSZACIVSA-N 1 0 378.310 4.925 40 0 GJABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1)Nc1ccccc1 ZINC000015673660 211711636 /nfs/dbraw/zinc/71/16/36/211711636.db2.gz KYLNXZBBOZCOHN-PMACEKPBSA-N 1 0 395.547 4.594 40 0 biogenic,in-vitro GJABRO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224590634 206024366 /nfs/dbraw/zinc/02/43/66/206024366.db2.gz QCCMYFAGKZWDNY-VQHVLOKHSA-N 1 0 389.326 4.919 40 0 GJABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682089 206026548 /nfs/dbraw/zinc/02/65/48/206026548.db2.gz HLHZPMIOQJJFHK-FQEVSTJZSA-N 1 0 394.559 4.880 40 0 GJABRO CCC1C=C2C(c3ccccc3)=CC(=O)O[C@H]2[C@H](C[NH+]2CCC(C)CC2)C1=O ZINC000028120505 206027615 /nfs/dbraw/zinc/02/76/15/206027615.db2.gz QSKDUZHVPFHIOF-ZJSXRUAMSA-N 1 0 379.500 4.506 40 0 GJABRO CC(C)(C)c1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224776046 206027853 /nfs/dbraw/zinc/02/78/53/206027853.db2.gz PEDSWMMXAIWJDN-UHFFFAOYSA-N 1 0 378.560 4.829 40 0 GJABRO CCCSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000225088108 206035152 /nfs/dbraw/zinc/03/51/52/206035152.db2.gz OMNJONMJHSZWNZ-UHFFFAOYSA-N 1 0 390.578 4.524 40 0 GJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225583513 206059149 /nfs/dbraw/zinc/05/91/49/206059149.db2.gz BUCLWLYDHIKLAU-IBGZPJMESA-N 1 0 389.609 4.949 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225622864 206062661 /nfs/dbraw/zinc/06/26/61/206062661.db2.gz BPMYAIRVNHQEGN-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225738895 206072329 /nfs/dbraw/zinc/07/23/29/206072329.db2.gz CRZRIEWQZDNOLT-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225738714 206072487 /nfs/dbraw/zinc/07/24/87/206072487.db2.gz ASDCRBYWEXGYHB-WMZHIEFXSA-N 1 0 390.568 4.864 40 0 GJABRO Oc1cccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c1 ZINC000257295008 206175151 /nfs/dbraw/zinc/17/51/51/206175151.db2.gz QWPCBZNJJOSOLO-RBBKRZOGSA-N 1 0 399.918 4.941 40 0 GJABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3ccc(C)nc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257302678 206176846 /nfs/dbraw/zinc/17/68/46/206176846.db2.gz SDVKOEFVNTZLRI-JTHBVZDNSA-N 1 0 378.516 4.593 40 0 GJABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008253934 211630586 /nfs/dbraw/zinc/63/05/86/211630586.db2.gz LKSIKTHFPYKGOL-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)o1 ZINC000096038199 211296251 /nfs/dbraw/zinc/29/62/51/211296251.db2.gz KJSKPJKUZQPZOO-UHFFFAOYSA-N 1 0 390.462 4.816 40 0 GJABRO CC(C)c1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2)cc1 ZINC000072380048 211107347 /nfs/dbraw/zinc/10/73/47/211107347.db2.gz AFZVCANFGACJNF-OAQYLSRUSA-N 1 0 390.531 4.539 40 0 GJABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CCc4ccccc4)C3)n2)s1 ZINC000072375937 211106577 /nfs/dbraw/zinc/10/65/77/211106577.db2.gz DFDAQNQVMCWFAR-GOSISDBHSA-N 1 0 393.560 4.661 40 0 GJABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072353744 211098283 /nfs/dbraw/zinc/09/82/83/211098283.db2.gz YEVMYQHUFABTHL-HXUWFJFHSA-N 1 0 395.510 4.775 40 0 GJABRO CCn1cc(C[N@H+](C)Cc2cc(-c3ccccc3)cnc2-c2ccncc2)c(C)n1 ZINC000072343215 211095914 /nfs/dbraw/zinc/09/59/14/211095914.db2.gz LKCYTTSXOYSCKO-UHFFFAOYSA-N 1 0 397.526 4.967 40 0 GJABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743195 210291523 /nfs/dbraw/zinc/29/15/23/210291523.db2.gz IBKPMNZOLZLXKD-NRFANRHFSA-N 1 0 396.579 4.724 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690428 210281251 /nfs/dbraw/zinc/28/12/51/210281251.db2.gz QQGORJYZGCDKAZ-JOCHJYFZSA-N 1 0 388.515 4.555 40 0 GJABRO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020041924 570236847 /nfs/dbraw/zinc/23/68/47/570236847.db2.gz HGKGKIPYMBKMAY-QHCPKHFHSA-N 1 0 380.532 4.808 40 0 GJABRO Cc1ccc(SCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020451932 570257356 /nfs/dbraw/zinc/25/73/56/570257356.db2.gz ZOGIKJRRMZCRBK-IBGZPJMESA-N 1 0 382.573 4.749 40 0 GJABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000215941476 570293635 /nfs/dbraw/zinc/29/36/35/570293635.db2.gz CNLOJAYYGFFSRU-UNMCSNQZSA-N 1 0 382.548 4.768 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118923127 570367949 /nfs/dbraw/zinc/36/79/49/570367949.db2.gz JYBLPRVSUYUPPM-KXQNOTADSA-N 1 0 385.592 4.878 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222974813 570434230 /nfs/dbraw/zinc/43/42/30/570434230.db2.gz QNWHQJXMYACIJL-HXUWFJFHSA-N 1 0 390.571 4.963 40 0 GJABRO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762887 570446044 /nfs/dbraw/zinc/44/60/44/570446044.db2.gz UHMFDCACKQFNCC-SFHVURJKSA-N 1 0 384.951 4.690 40 0 GJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039758161 570449380 /nfs/dbraw/zinc/44/93/80/570449380.db2.gz QXNMOQLIXXMORD-UHFFFAOYSA-N 1 0 396.600 4.565 40 0 GJABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938702 570501383 /nfs/dbraw/zinc/50/13/83/570501383.db2.gz OKEOLCWRQWFMRF-CQSZACIVSA-N 1 0 381.278 4.983 40 0 GJABRO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030943677 570501427 /nfs/dbraw/zinc/50/14/27/570501427.db2.gz YOUPGUBFZYNQOW-WIYYLYMNSA-N 1 0 384.951 4.690 40 0 GJABRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000224536943 570517429 /nfs/dbraw/zinc/51/74/29/570517429.db2.gz GKADBGVLHAVHFN-UHFFFAOYSA-N 1 0 386.923 4.655 40 0 GJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782712 570530501 /nfs/dbraw/zinc/53/05/01/570530501.db2.gz KVHWODUTLCMKIY-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782815 570530520 /nfs/dbraw/zinc/53/05/20/570530520.db2.gz BFTFUPYCNIWLQG-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO Cc1ccccc1CSCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806499 570531876 /nfs/dbraw/zinc/53/18/76/570531876.db2.gz XNZULDXLJWUXTH-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO COc1c(Br)cc(Br)cc1C[NH2+]C1CCCCC1 ZINC000008469456 570531983 /nfs/dbraw/zinc/53/19/83/570531983.db2.gz FXUMBUJXWCRRHH-UHFFFAOYSA-N 1 0 377.120 4.643 40 0 GJABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000008474507 570532397 /nfs/dbraw/zinc/53/23/97/570532397.db2.gz JBKPSWHCOWJZDQ-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850122 570534280 /nfs/dbraw/zinc/53/42/80/570534280.db2.gz VBUWLTSKSRDBPE-DEOSSOPVSA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000035780821 570557879 /nfs/dbraw/zinc/55/78/79/570557879.db2.gz XHWQQIQHOPLJDJ-YVNJGZBMSA-N 1 0 381.589 4.587 40 0 GJABRO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038849801 570587691 /nfs/dbraw/zinc/58/76/91/570587691.db2.gz DTRKHABRHYLTMY-HNNXBMFYSA-N 1 0 380.385 4.695 40 0 GJABRO Cc1cccc(CSCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000038851664 570587746 /nfs/dbraw/zinc/58/77/46/570587746.db2.gz LHILZGPAAVAGTO-UHFFFAOYSA-N 1 0 396.600 4.890 40 0 GJABRO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038853419 570588213 /nfs/dbraw/zinc/58/82/13/570588213.db2.gz QYAMKPCXNLZICQ-AWEZNQCLSA-N 1 0 381.278 4.983 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)c(C)c1 ZINC000044856526 570637218 /nfs/dbraw/zinc/63/72/18/570637218.db2.gz GXLZQHCYFXYIOC-HSZRJFAPSA-N 1 0 382.523 4.922 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000044918352 570643432 /nfs/dbraw/zinc/64/34/32/570643432.db2.gz JUNJTDLZLGKMCA-QFIPXVFZSA-N 1 0 392.543 4.626 40 0 GJABRO CC1(C)CC(N(Cc2cccs2)C(=O)c2c(F)cccc2F)CC(C)(C)[NH2+]1 ZINC000004968461 570654970 /nfs/dbraw/zinc/65/49/70/570654970.db2.gz YEAHXZUSVRZOLL-UHFFFAOYSA-N 1 0 392.515 4.978 40 0 GJABRO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1 ZINC000008578447 570681134 /nfs/dbraw/zinc/68/11/34/570681134.db2.gz HQFPUAJGLRNHNO-YQQQUEKLSA-N 1 0 385.602 4.929 40 0 GJABRO Cc1cccc(COc2ccccc2C(=O)N(CCC[NH3+])Cc2cccs2)c1 ZINC000035076019 570734408 /nfs/dbraw/zinc/73/44/08/570734408.db2.gz LCQJRANJHOEQFG-UHFFFAOYSA-N 1 0 394.540 4.627 40 0 in-vitro GJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc2ccccc21 ZINC000006548981 570747333 /nfs/dbraw/zinc/74/73/33/570747333.db2.gz SXSIGXBHRXCUHR-UHFFFAOYSA-N 1 0 389.524 4.562 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000006629883 570748168 /nfs/dbraw/zinc/74/81/68/570748168.db2.gz XCSRWHKHVOQXBO-UHFFFAOYSA-N 1 0 397.588 4.953 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 ZINC000006949701 570751415 /nfs/dbraw/zinc/75/14/15/570751415.db2.gz ORTNXOLSWBPFRJ-UHFFFAOYSA-N 1 0 391.309 4.552 40 0 GJABRO C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991946 570869016 /nfs/dbraw/zinc/86/90/16/570869016.db2.gz IZIWBPAAHSPDMZ-KRWDZBQOSA-N 1 0 393.458 4.604 40 0 GJABRO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000005721563 570898218 /nfs/dbraw/zinc/89/82/18/570898218.db2.gz AYMDCNPLVAWAEY-VWLOTQADSA-N 1 0 382.511 4.783 40 0 GJABRO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+](CCOc4ccc(F)cc4)C3)o2)s1 ZINC000019217600 570962398 /nfs/dbraw/zinc/96/23/98/570962398.db2.gz QSDLMOFGNGXQAQ-OAHLLOKOSA-N 1 0 387.480 4.504 40 0 GJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3C3CCSCC3)cc2n1 ZINC000019452352 570985532 /nfs/dbraw/zinc/98/55/32/570985532.db2.gz SHGSXCQWAMEKKP-INIZCTEOSA-N 1 0 398.498 4.904 40 0 GJABRO Cc1noc2nc(C3CC[NH+](Cc4ccc(F)cc4)CC3)cc(C(F)F)c12 ZINC000019565020 571006995 /nfs/dbraw/zinc/00/69/95/571006995.db2.gz YIIOENSHQXFBMH-UHFFFAOYSA-N 1 0 375.394 4.988 40 0 GJABRO Cc1cc(Oc2ccc(NC(=O)C3CCCC3)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570452 571009648 /nfs/dbraw/zinc/00/96/48/571009648.db2.gz MWRBLANTFKPVNA-UHFFFAOYSA-N 1 0 379.504 4.778 40 0 GJABRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC ZINC000019658411 571024502 /nfs/dbraw/zinc/02/45/02/571024502.db2.gz XOZSRFVHVNYKPZ-OAQYLSRUSA-N 1 0 389.499 4.806 40 0 GJABRO Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503208 575369234 /nfs/dbraw/zinc/36/92/34/575369234.db2.gz VOSKNNGMIJKCSY-ZWKOTPCHSA-N 1 0 376.525 4.505 40 0 biogenic,in-vitro GJABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564316 210264316 /nfs/dbraw/zinc/26/43/16/210264316.db2.gz KIYMCDCOIWLGHE-CQSZACIVSA-N 1 0 375.394 4.988 40 0 GJABRO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408604704 231076686 /nfs/dbraw/zinc/07/66/86/231076686.db2.gz DVLCYVGVLHJDRW-UHFFFAOYSA-N 1 0 382.935 4.858 40 0 GJABRO O=C(Nc1ccccc1C[NH+]1CCCCCC1)c1ccccc1Cn1ccnc1 ZINC000019349807 210243708 /nfs/dbraw/zinc/24/37/08/210243708.db2.gz QZXSPAZPWJETEL-UHFFFAOYSA-N 1 0 388.515 4.560 40 0 GJABRO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2ccc(C)cn2)cc(OC)c1OC ZINC000019215456 210230555 /nfs/dbraw/zinc/23/05/55/210230555.db2.gz DUDLRXWUTZLMQN-LJQANCHMSA-N 1 0 398.528 4.551 40 0 GJABRO Cc1ccc(C[NH+]2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)o1 ZINC000019216584 210230369 /nfs/dbraw/zinc/23/03/69/210230369.db2.gz YCQYFHSTOIJYJI-UHFFFAOYSA-N 1 0 391.519 4.640 40 0 GJABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000016477338 210191768 /nfs/dbraw/zinc/19/17/68/210191768.db2.gz JGEUMCIBCXYGKV-DEOSSOPVSA-N 1 0 388.486 4.962 40 0 GJABRO COc1cc(C[NH2+]CCCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000036612677 210154874 /nfs/dbraw/zinc/15/48/74/210154874.db2.gz VOILYGHHMKZQNB-UHFFFAOYSA-N 1 0 384.520 4.547 40 0 GJABRO CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)c1c[nH]c2ccccc21 ZINC000012651017 209989122 /nfs/dbraw/zinc/98/91/22/209989122.db2.gz KYMMYXGQKBCPRR-QFIPXVFZSA-N 1 0 377.488 4.573 40 0 GJABRO CCOc1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)c1OC ZINC000008253579 204268006 /nfs/dbraw/zinc/26/80/06/204268006.db2.gz OYXBTMDFSDDEHL-UHFFFAOYSA-N 1 0 394.353 4.771 40 0 GJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2oc3ccccc3c2C)CC1 ZINC000012292870 204390054 /nfs/dbraw/zinc/39/00/54/204390054.db2.gz CUSKZGNMASPEJK-UHFFFAOYSA-N 1 0 380.463 4.508 40 0 GJABRO C[N@H+](CC1CCCCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257269556 212013703 /nfs/dbraw/zinc/01/37/03/212013703.db2.gz MQLYKBONAORFAE-UHFFFAOYSA-N 1 0 384.564 4.783 40 0 GJABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225744765 211923018 /nfs/dbraw/zinc/92/30/18/211923018.db2.gz RVVADOFKASTZQY-QFIPXVFZSA-N 1 0 378.557 4.721 40 0 GJABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225534479 211904602 /nfs/dbraw/zinc/90/46/02/211904602.db2.gz IQNZBYVQYDRRTH-UHFFFAOYSA-N 1 0 380.532 4.858 40 0 GJABRO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C(C)C)n1)C2 ZINC000328963459 209153813 /nfs/dbraw/zinc/15/38/13/209153813.db2.gz BOGYWNUOFLTMJW-UHFFFAOYSA-N 1 0 388.515 4.783 40 0 GJABRO O=C(N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734722 205021587 /nfs/dbraw/zinc/02/15/87/205021587.db2.gz ZXIGFMHJUXKYEJ-GMAHTHKFSA-N 1 0 395.522 4.623 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000038834026 205038690 /nfs/dbraw/zinc/03/86/90/205038690.db2.gz FULQJJMSKPKCFL-HNNXBMFYSA-N 1 0 387.321 4.933 40 0 GJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)cc1 ZINC000044936475 205090381 /nfs/dbraw/zinc/09/03/81/205090381.db2.gz SQEYHTYWVMSQQD-QHCPKHFHSA-N 1 0 380.532 4.808 40 0 GJABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000044910228 205091254 /nfs/dbraw/zinc/09/12/54/205091254.db2.gz MEVATSBBIOSZLK-OAHLLOKOSA-N 1 0 377.315 4.868 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358587 205333548 /nfs/dbraw/zinc/33/35/48/205333548.db2.gz DAZKYMHURASUOM-GOSISDBHSA-N 1 0 398.432 4.937 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358394 205334834 /nfs/dbraw/zinc/33/48/34/205334834.db2.gz ZFEMHVWTPHHAEI-SFHVURJKSA-N 1 0 377.463 4.671 40 0 GJABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072376766 205337605 /nfs/dbraw/zinc/33/76/05/205337605.db2.gz YKQDLPLAQVGKAY-HXUWFJFHSA-N 1 0 380.442 4.731 40 0 GJABRO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000072376603 205338133 /nfs/dbraw/zinc/33/81/33/205338133.db2.gz ORALPPFYWUVJMJ-NRFANRHFSA-N 1 0 376.479 4.686 40 0 GJABRO c1ccc(Nc2cncc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072376333 205338572 /nfs/dbraw/zinc/33/85/72/205338572.db2.gz GYEHXNYYPGMDFM-NRFANRHFSA-N 1 0 382.471 4.501 40 0 GJABRO c1ccc(Nc2nccc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377985 205340110 /nfs/dbraw/zinc/34/01/10/205340110.db2.gz ROYZPIAPKIFZKR-FQEVSTJZSA-N 1 0 396.498 4.543 40 0 GJABRO c1ccc(-c2cc(C[NH2+]C(c3ccccc3)c3ccccc3)c3nnnn3c2)cc1 ZINC000072392314 205341859 /nfs/dbraw/zinc/34/18/59/205341859.db2.gz PQDFSUCAAQPJQR-UHFFFAOYSA-N 1 0 391.478 4.671 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CC4)c4ccccc43)CC2)s1 ZINC000096052982 205518995 /nfs/dbraw/zinc/51/89/95/205518995.db2.gz ROQXHNLUJLWXAF-GOSISDBHSA-N 1 0 394.584 4.746 40 0 GJABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000224411509 206020710 /nfs/dbraw/zinc/02/07/10/206020710.db2.gz RUIBWTRAOHIMJI-IFMALSPDSA-N 1 0 398.522 4.622 40 0 GJABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850026 206028735 /nfs/dbraw/zinc/02/87/35/206028735.db2.gz GTJNQQDFFSZGSP-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000224884424 206030521 /nfs/dbraw/zinc/03/05/21/206030521.db2.gz VBYIWERHFDMMEP-UHFFFAOYSA-N 1 0 392.421 4.744 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225707243 206069635 /nfs/dbraw/zinc/06/96/35/206069635.db2.gz CGJZABMEPZAPNN-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225699654 206068190 /nfs/dbraw/zinc/06/81/90/206068190.db2.gz YFHLWGKDTWLZNR-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO Fc1cccc(N[C@@H]2CC[N@H+](Cc3nccs3)C[C@@H]2Cc2ccccc2)c1 ZINC000257319335 206177588 /nfs/dbraw/zinc/17/75/88/206177588.db2.gz VRYBNGACBSKECZ-GHTZIAJQSA-N 1 0 381.520 4.828 40 0 GJABRO CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](CC2CC2)CC1 ZINC000257341600 206181967 /nfs/dbraw/zinc/18/19/67/206181967.db2.gz ZKZYZWPICYITQI-UHFFFAOYSA-N 1 0 394.534 4.664 40 0 GJABRO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000000597004 206211070 /nfs/dbraw/zinc/21/10/70/206211070.db2.gz UQFKQDSFZGMCBG-IBGZPJMESA-N 1 0 394.342 4.688 40 0 GJABRO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370502 211102291 /nfs/dbraw/zinc/10/22/91/211102291.db2.gz GFRMZHNFCAKEGM-HNNXBMFYSA-N 1 0 399.585 4.623 40 0 GJABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072377986 211106552 /nfs/dbraw/zinc/10/65/52/211106552.db2.gz CQCXVNYCFQAMPK-QFIPXVFZSA-N 1 0 396.498 4.809 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350256 211097790 /nfs/dbraw/zinc/09/77/90/211097790.db2.gz LJZVPZIRWYZCIP-IBGZPJMESA-N 1 0 388.515 4.574 40 0 GJABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020457193 210338678 /nfs/dbraw/zinc/33/86/78/210338678.db2.gz VEXHXOZHVFBTAD-UHFFFAOYSA-N 1 0 380.532 4.636 40 0 GJABRO Cc1cc(C)c2nc(C)c(C(=O)N[C@@H](CC[NH+](C)C)c3ccccc3)cc2c1 ZINC000019715323 210286615 /nfs/dbraw/zinc/28/66/15/210286615.db2.gz OKUDYHIRGVAOBT-QFIPXVFZSA-N 1 0 375.516 4.583 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136428 222138895 /nfs/dbraw/zinc/13/88/95/222138895.db2.gz UYYRGUHHPKHWTR-IBGZPJMESA-N 1 0 390.449 4.576 40 0 GJABRO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408989112 528617289 /nfs/dbraw/zinc/61/72/89/528617289.db2.gz JXNZLYDTHIAZRQ-IBGZPJMESA-N 1 0 384.476 4.597 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000253504571 560037820 /nfs/dbraw/zinc/03/78/20/560037820.db2.gz HLKCYOOWMVLNED-YBVULOPDSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1F ZINC000035446683 560079424 /nfs/dbraw/zinc/07/94/24/560079424.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 1 0 381.348 4.849 40 0 biogenic,in-vitro GJABRO FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169284 560084869 /nfs/dbraw/zinc/08/48/69/560084869.db2.gz SMPIOQDFIZFILQ-INIZCTEOSA-N 1 0 389.377 4.625 40 0 biogenic,in-vitro GJABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328981614 570210408 /nfs/dbraw/zinc/21/04/08/570210408.db2.gz GUTMHQQIAQXVBA-UHFFFAOYSA-N 1 0 384.955 4.983 40 0 GJABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1C[C@H](C)[NH+]1CCCCC1 ZINC000019719670 570210508 /nfs/dbraw/zinc/21/05/08/570210508.db2.gz IPFRFNWPEFGJEF-SFHVURJKSA-N 1 0 377.536 4.535 40 0 GJABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270084 570238833 /nfs/dbraw/zinc/23/88/33/570238833.db2.gz DTXWDZPQVCBUKL-HSZRJFAPSA-N 1 0 382.479 4.757 40 0 GJABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000585290016 570257781 /nfs/dbraw/zinc/25/77/81/570257781.db2.gz PSSVPPODRNRTTF-RBZQAINGSA-N 1 0 399.962 4.956 40 0 GJABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000585288626 570258922 /nfs/dbraw/zinc/25/89/22/570258922.db2.gz FWYWFFCXCRBMFF-IPMKNSEASA-N 1 0 399.840 4.809 40 0 GJABRO c1ccc(-c2ccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)cc2)cc1 ZINC000002528004 570289897 /nfs/dbraw/zinc/28/98/97/570289897.db2.gz XLGGQOCFBGFABF-UHFFFAOYSA-N 1 0 375.455 4.878 40 0 GJABRO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216226404 570297148 /nfs/dbraw/zinc/29/71/48/570297148.db2.gz UIEFKIYGYCXTTQ-MOPGFXCFSA-N 1 0 380.532 4.808 40 0 GJABRO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216463572 570302074 /nfs/dbraw/zinc/30/20/74/570302074.db2.gz TWYOXYUIWIIMBY-HKUYNNGSSA-N 1 0 383.001 4.982 40 0 GJABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCc1ccccc1 ZINC000022075641 570321806 /nfs/dbraw/zinc/32/18/06/570321806.db2.gz IURVRJUJNYKADP-UHFFFAOYSA-N 1 0 390.955 4.749 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118923122 570367983 /nfs/dbraw/zinc/36/79/83/570367983.db2.gz JYBLPRVSUYUPPM-LZMGOZBSSA-N 1 0 385.592 4.878 40 0 GJABRO CCCOc1cc(C(=O)OCC[NH+](CC)CC)cc(OCCC)c1OCCC ZINC000004768973 570404721 /nfs/dbraw/zinc/40/47/21/570404721.db2.gz WARJSWCUKQGQLL-UHFFFAOYSA-N 1 0 395.540 4.552 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047943 570425800 /nfs/dbraw/zinc/42/58/00/570425800.db2.gz KGSXORVANNQUIT-GGQGVQAJSA-N 1 0 381.601 4.501 40 0 GJABRO O=C(NCc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222813724 570427174 /nfs/dbraw/zinc/42/71/74/570427174.db2.gz LZXUMMJIMHBBLX-QFIPXVFZSA-N 1 0 376.475 4.507 40 0 GJABRO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222889994 570430218 /nfs/dbraw/zinc/43/02/18/570430218.db2.gz PWBCFIGQVZPCNV-NRFANRHFSA-N 1 0 376.475 4.507 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 ZINC000222974509 570434220 /nfs/dbraw/zinc/43/42/20/570434220.db2.gz GZNDALYAUSRWOW-HXUWFJFHSA-N 1 0 390.571 4.963 40 0 GJABRO CC(C)Oc1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039759206 570450162 /nfs/dbraw/zinc/45/01/62/570450162.db2.gz SHRLULDZDSCNCO-UHFFFAOYSA-N 1 0 386.923 4.978 40 0 GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223224378 570450920 /nfs/dbraw/zinc/45/09/20/570450920.db2.gz IJZRZERWVIMHCA-QGZVFWFLSA-N 1 0 396.962 4.918 40 0 GJABRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(Cl)cc1 ZINC000028296109 570457478 /nfs/dbraw/zinc/45/74/78/570457478.db2.gz UGTWBJYJTAWASN-FQEVSTJZSA-N 1 0 397.906 4.808 40 0 GJABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000223773646 570483924 /nfs/dbraw/zinc/48/39/24/570483924.db2.gz XCHVYITXQSNLNT-UHFFFAOYSA-N 1 0 380.532 4.605 40 0 GJABRO Cc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030551978 570491492 /nfs/dbraw/zinc/49/14/92/570491492.db2.gz AKOVVTLPJGOJPS-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224614235 570520352 /nfs/dbraw/zinc/52/03/52/570520352.db2.gz TWOFJPUWUKLWMO-LJQANCHMSA-N 1 0 394.559 4.664 40 0 GJABRO CC(C)(C)c1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849595 570534258 /nfs/dbraw/zinc/53/42/58/570534258.db2.gz HOJZUEWNMMRLGX-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(N4CCCCC4)cc3)CC2)cc1 ZINC000224968685 570540442 /nfs/dbraw/zinc/54/04/42/570540442.db2.gz KELXBLWUGOMMNB-UHFFFAOYSA-N 1 0 391.559 4.836 40 0 GJABRO O=C(NCCSC1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852769 570588190 /nfs/dbraw/zinc/58/81/90/570588190.db2.gz QHVBZYCGCWUDLO-GOSISDBHSA-N 1 0 395.012 4.734 40 0 GJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225583492 570591430 /nfs/dbraw/zinc/59/14/30/570591430.db2.gz BUCLWLYDHIKLAU-LJQANCHMSA-N 1 0 389.609 4.949 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225619328 570595330 /nfs/dbraw/zinc/59/53/30/570595330.db2.gz ODWBPMBNCQYLJK-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCCCC1 ZINC000225628943 570596036 /nfs/dbraw/zinc/59/60/36/570596036.db2.gz FZNBZTKZMZJQFD-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO C[NH+]1CCN(c2nc(-c3ccccc3)c3c(n2)/C(=C/c2ccccc2)CCC3)CC1 ZINC000040385509 570598375 /nfs/dbraw/zinc/59/83/75/570598375.db2.gz NEBCTOVORGABHP-ZBJSNUHESA-N 1 0 396.538 4.772 40 0 GJABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(Cl)c2Cl)C3)nc1 ZINC000012135271 570614056 /nfs/dbraw/zinc/61/40/56/570614056.db2.gz YTZBYXFPBQIQNM-QRTHJKPMSA-N 1 0 391.342 4.817 40 0 GJABRO COc1ccc(-c2n[nH]cc2C[NH2+]C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000012147628 570617221 /nfs/dbraw/zinc/61/72/21/570617221.db2.gz MIZVYJYBKSJKAV-UHFFFAOYSA-N 1 0 377.488 4.653 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3ncccc3c2)s1 ZINC000043277873 570626861 /nfs/dbraw/zinc/62/68/61/570626861.db2.gz ZICZQMXNQXRUEP-UHFFFAOYSA-N 1 0 376.529 4.894 40 0 GJABRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000044874681 570637597 /nfs/dbraw/zinc/63/75/97/570637597.db2.gz WWPIKJMXHUEOBO-UHFFFAOYSA-N 1 0 391.559 4.593 40 0 GJABRO Cc1cccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)c1C ZINC000004858617 570639221 /nfs/dbraw/zinc/63/92/21/570639221.db2.gz KEOVLEPRENFBEO-UHFFFAOYSA-N 1 0 393.560 4.524 40 0 GJABRO Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044909618 570642499 /nfs/dbraw/zinc/64/24/99/570642499.db2.gz FMOFPIKYUKKZSJ-OAQYLSRUSA-N 1 0 384.951 4.609 40 0 GJABRO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000044933007 570643788 /nfs/dbraw/zinc/64/37/88/570643788.db2.gz HRIVDPHTRUPZFV-JOCHJYFZSA-N 1 0 382.935 4.746 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812298 570707379 /nfs/dbraw/zinc/70/73/79/570707379.db2.gz ADCBJVWJXQDTNH-AUSIDOKSSA-N 1 0 390.568 4.720 40 0 GJABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843434 570710307 /nfs/dbraw/zinc/71/03/07/570710307.db2.gz RUIBWTRAOHIMJI-RBBKRZOGSA-N 1 0 398.522 4.622 40 0 GJABRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1SCc1ccccc1 ZINC000010111292 570781899 /nfs/dbraw/zinc/78/18/99/570781899.db2.gz NHBDWOPAPQIZHA-UHFFFAOYSA-N 1 0 382.573 4.975 40 0 GJABRO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCCCC4)cc3)cc2c1 ZINC000013563011 570851831 /nfs/dbraw/zinc/85/18/31/570851831.db2.gz DLXGALRXDWEZRO-UHFFFAOYSA-N 1 0 377.488 4.529 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](CCc2ccccc2)CC3)cc1 ZINC000585100187 570924247 /nfs/dbraw/zinc/92/42/47/570924247.db2.gz HJLSLUWUCVUYRC-RUZDIDTESA-N 1 0 376.544 4.585 40 0 GJABRO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019289300 570924903 /nfs/dbraw/zinc/92/49/03/570924903.db2.gz YDAJKGRVJMQIJE-QGZVFWFLSA-N 1 0 384.574 4.549 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](Cc2cccc(F)c2)CC3)cc1 ZINC000585100684 570925138 /nfs/dbraw/zinc/92/51/38/570925138.db2.gz SSXHGYJMWNAPGP-DEOSSOPVSA-N 1 0 380.507 4.681 40 0 GJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349219 570978687 /nfs/dbraw/zinc/97/86/87/570978687.db2.gz ULIUBZCVGLSIEF-ONTIZHBOSA-N 1 0 398.547 4.504 40 0 GJABRO O=C(N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400894 570982764 /nfs/dbraw/zinc/98/27/64/570982764.db2.gz ZXIGFMHJUXKYEJ-JTHBVZDNSA-N 1 0 395.522 4.623 40 0 GJABRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586152 571015796 /nfs/dbraw/zinc/01/57/96/571015796.db2.gz WDVCJFZGMIFMRZ-LJQANCHMSA-N 1 0 385.895 4.579 40 0 GJABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000019565871 210265613 /nfs/dbraw/zinc/26/56/13/210265613.db2.gz RWMYRRDDFJWETF-UHFFFAOYSA-N 1 0 388.433 4.979 40 0 GJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039768822 230929240 /nfs/dbraw/zinc/92/92/40/230929240.db2.gz DVMWAAWXMPXKNQ-UHFFFAOYSA-N 1 0 396.600 4.565 40 0 GJABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000222876776 222616532 /nfs/dbraw/zinc/61/65/32/222616532.db2.gz LJESHVJODJZBQP-UHFFFAOYSA-N 1 0 376.475 4.507 40 0 GJABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccc(C)cc2)Cc2ccc(F)cc2)on1 ZINC000019210141 210229958 /nfs/dbraw/zinc/22/99/58/210229958.db2.gz JNLTVHAVEMIJMM-ZJSXRUAMSA-N 1 0 394.490 4.690 40 0 GJABRO CC(C)(C)C(=O)N1CCC(c2[nH+]c3ccc(F)cn3c2NC2CCCC2)CC1 ZINC000019081082 210225762 /nfs/dbraw/zinc/22/57/62/210225762.db2.gz ZGLZJLNPSZPSML-UHFFFAOYSA-N 1 0 386.515 4.580 40 0 GJABRO CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC000019086080 210225770 /nfs/dbraw/zinc/22/57/70/210225770.db2.gz KJXGJFAOFUDSRA-DNVJHFABSA-N 1 0 386.555 4.678 40 0 GJABRO Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3ccccc3F)cc2n1 ZINC000019116920 210224837 /nfs/dbraw/zinc/22/48/37/210224837.db2.gz QWYWKIOSXTXFNO-INIZCTEOSA-N 1 0 378.373 4.533 40 0 GJABRO Cc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000013671539 210077597 /nfs/dbraw/zinc/07/75/97/210077597.db2.gz IOSNFTYRQXCZJB-UHFFFAOYSA-N 1 0 398.550 4.916 40 0 GJABRO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008327054 209774468 /nfs/dbraw/zinc/77/44/68/209774468.db2.gz QUTCLDQQGRXFRC-QGZVFWFLSA-N 1 0 398.728 4.542 40 0 GJABRO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306143166 212054785 /nfs/dbraw/zinc/05/47/85/212054785.db2.gz XUYFRFXXMZJFQX-LJQANCHMSA-N 1 0 376.435 4.508 40 0 GJABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCCc1ccccc1 ZINC000007540142 204242655 /nfs/dbraw/zinc/24/26/55/204242655.db2.gz QMJUZDONLOAQEN-UHFFFAOYSA-N 1 0 379.475 4.788 40 0 GJABRO CC(C)(CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000006883122 204220361 /nfs/dbraw/zinc/22/03/61/204220361.db2.gz KVDHQHFJAXMYNF-UHFFFAOYSA-N 1 0 398.728 4.542 40 0 GJABRO Oc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185724 204379351 /nfs/dbraw/zinc/37/93/51/204379351.db2.gz CTHVKOAIINFDGJ-FQEVSTJZSA-N 1 0 392.455 4.893 40 0 GJABRO Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)C3CCCCC3)CC2)[nH+]1 ZINC000257234192 212009578 /nfs/dbraw/zinc/00/95/78/212009578.db2.gz GSNKDFXIGABZNH-UHFFFAOYSA-N 1 0 378.520 4.815 40 0 GJABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224801391 211873179 /nfs/dbraw/zinc/87/31/79/211873179.db2.gz PGOQEWILIGCOJH-FQEVSTJZSA-N 1 0 394.559 4.798 40 0 GJABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1C ZINC000038753293 205037117 /nfs/dbraw/zinc/03/71/17/205037117.db2.gz HNMYZGSDHLWWJC-UHFFFAOYSA-N 1 0 394.515 4.656 40 0 GJABRO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044852660 205088520 /nfs/dbraw/zinc/08/85/20/205088520.db2.gz BERLEGULFNFPIK-FQEVSTJZSA-N 1 0 380.532 4.568 40 0 GJABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044917224 205090483 /nfs/dbraw/zinc/09/04/83/205090483.db2.gz YBJJPXKNVQZOCT-UHFFFAOYSA-N 1 0 396.506 4.998 40 0 GJABRO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044932897 205091317 /nfs/dbraw/zinc/09/13/17/205091317.db2.gz FSDONOWWWAUSTK-DENIHFKCSA-N 1 0 382.935 4.746 40 0 GJABRO COc1ccc(-c2ncc(C[NH2+]C3(c4ccc(OC)cc4)CCCC3)cn2)cc1 ZINC000057822767 205160764 /nfs/dbraw/zinc/16/07/64/205160764.db2.gz OLHXEZKTGLJAGG-UHFFFAOYSA-N 1 0 389.499 4.720 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350259 205330599 /nfs/dbraw/zinc/33/05/99/205330599.db2.gz RLAMCRBCSZSYID-LJQANCHMSA-N 1 0 388.515 4.574 40 0 GJABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350197 205330978 /nfs/dbraw/zinc/33/09/78/205330978.db2.gz RLWPYPAUDOBHHW-IBGZPJMESA-N 1 0 397.950 4.592 40 0 GJABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](C/C=C/c3ccccc3)C2)no1 ZINC000072352781 205331744 /nfs/dbraw/zinc/33/17/44/205331744.db2.gz BOXIEKSUOUGKHM-WUTDNEBXSA-N 1 0 393.531 4.630 40 0 GJABRO Cc1cc(-c2cnn(C)c2)cc([C@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353755 205331853 /nfs/dbraw/zinc/33/18/53/205331853.db2.gz RTDZUBOYRVNSIH-IBGZPJMESA-N 1 0 399.542 4.662 40 0 GJABRO NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352455 205332497 /nfs/dbraw/zinc/33/24/97/205332497.db2.gz VEKXVWZOXNJZCY-KRWDZBQOSA-N 1 0 387.508 4.538 40 0 GJABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000072376765 205338346 /nfs/dbraw/zinc/33/83/46/205338346.db2.gz YKQDLPLAQVGKAY-FQEVSTJZSA-N 1 0 380.442 4.731 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)c1 ZINC000224529526 206022413 /nfs/dbraw/zinc/02/24/13/206022413.db2.gz QBFQAPLWRZVSKC-UHFFFAOYSA-N 1 0 399.538 4.832 40 0 GJABRO O=C(Nc1ccc2c3c(cccc31)CC2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224553833 206024288 /nfs/dbraw/zinc/02/42/88/206024288.db2.gz PDHRNSNRHBNZKR-UHFFFAOYSA-N 1 0 388.486 4.928 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000224921968 206030678 /nfs/dbraw/zinc/03/06/78/206030678.db2.gz YSLCALKXZBEOBL-IBGZPJMESA-N 1 0 377.532 4.771 40 0 GJABRO CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225750119 206072414 /nfs/dbraw/zinc/07/24/14/206072414.db2.gz KPMWCDPMMHSBFC-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225619506 206060127 /nfs/dbraw/zinc/06/01/27/206060127.db2.gz PSZQRTNFQCNAJS-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225692967 206067502 /nfs/dbraw/zinc/06/75/02/206067502.db2.gz RNPINJKJDFHXLS-DNVFCKCGSA-N 1 0 390.568 4.577 40 0 GJABRO Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000257199794 206158322 /nfs/dbraw/zinc/15/83/22/206158322.db2.gz AAVJIWKNYABDCX-LJQANCHMSA-N 1 0 379.895 4.501 40 0 GJABRO C[C@H]1CCC[C@H]([N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745309 206214394 /nfs/dbraw/zinc/21/43/94/206214394.db2.gz UWADVROSAKPYEC-OYDLWJJNSA-N 1 0 382.592 4.758 40 0 GJABRO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625886 211345058 /nfs/dbraw/zinc/34/50/58/211345058.db2.gz QCSUOXYREQWXPC-UHFFFAOYSA-N 1 0 391.342 4.564 40 0 GJABRO CC[NH+](CC)Cc1ccccc1NC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000072391797 211109260 /nfs/dbraw/zinc/10/92/60/211109260.db2.gz XSCSNYCXMLSABU-UHFFFAOYSA-N 1 0 390.409 4.676 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC ZINC000072390100 211108143 /nfs/dbraw/zinc/10/81/43/211108143.db2.gz APPIUCMPMYRERG-INIZCTEOSA-N 1 0 399.516 4.503 40 0 GJABRO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000072376768 211106434 /nfs/dbraw/zinc/10/64/34/211106434.db2.gz YBBDRYUFUBPLKB-OAQYLSRUSA-N 1 0 392.478 4.601 40 0 GJABRO C[N@H+](Cc1ccncc1)Cc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 ZINC000072343219 211094877 /nfs/dbraw/zinc/09/48/77/211094877.db2.gz IEGBREPGTHUZNZ-UHFFFAOYSA-N 1 0 384.458 4.977 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358399 211099617 /nfs/dbraw/zinc/09/96/17/211099617.db2.gz CQKRFZKGDNERKT-LJQANCHMSA-N 1 0 389.499 4.540 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358395 211099369 /nfs/dbraw/zinc/09/93/69/211099369.db2.gz ZFEMHVWTPHHAEI-GOSISDBHSA-N 1 0 377.463 4.671 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350264 211097744 /nfs/dbraw/zinc/09/77/44/211097744.db2.gz HIDBSNPKYLCCFO-LJQANCHMSA-N 1 0 390.506 4.628 40 0 GJABRO Cc1ccc(-c2nc(N3CC[NH+](Cc4ccccc4)CC3)nc3c2CCCC3)cc1 ZINC000020798156 210363453 /nfs/dbraw/zinc/36/34/53/210363453.db2.gz ITYABXZWIGJCBO-UHFFFAOYSA-N 1 0 398.554 4.653 40 0 GJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000019714574 210285932 /nfs/dbraw/zinc/28/59/32/210285932.db2.gz SJPUAQGMCCJSQD-FQEVSTJZSA-N 1 0 375.516 4.779 40 0 GJABRO Cc1c(C[NH+]2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cnn1C ZINC000019691702 210282080 /nfs/dbraw/zinc/28/20/80/210282080.db2.gz RBMJMARYOFWKHB-UHFFFAOYSA-N 1 0 392.522 4.541 40 0 GJABRO Cc1cccc(C[N@H+](Cc2ccccc2)Cc2ccc(N3CCCC3=O)cc2)n1 ZINC000019662795 210278936 /nfs/dbraw/zinc/27/89/36/210278936.db2.gz LVWGKQBMLSTVMS-UHFFFAOYSA-N 1 0 385.511 4.719 40 0 GJABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)c(OC)c3)[C@@H]3CCCC[C@@H]32)cn1 ZINC000019525790 221421513 /nfs/dbraw/zinc/42/15/13/221421513.db2.gz HJGQSRSVIWCOGO-GABIRTJKSA-N 1 0 395.547 4.508 40 0 GJABRO Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000012603352 560213292 /nfs/dbraw/zinc/21/32/92/560213292.db2.gz MJGVZXMNPTYZSH-WIYYLYMNSA-N 1 0 379.454 4.969 40 0 biogenic,in-vitro GJABRO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625951 570231712 /nfs/dbraw/zinc/23/17/12/570231712.db2.gz NQRIIRNJSGXCRB-UHFFFAOYSA-N 1 0 396.384 4.575 40 0 GJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1OC ZINC000005158157 570245221 /nfs/dbraw/zinc/24/52/21/570245221.db2.gz FKRPXPXSMAVQSM-QDSKXPNFSA-N 1 0 399.506 4.711 40 0 GJABRO COc1ccc([C@@](O)(CC[NH+]2CC3CCC(CC3)C2)Cc2ccccc2)cc1 ZINC000001615867 570265989 /nfs/dbraw/zinc/26/59/89/570265989.db2.gz OFLCDQBICSKPPZ-XUNZJTMSSA-N 1 0 379.544 4.638 40 0 GJABRO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076366 570320873 /nfs/dbraw/zinc/32/08/73/570320873.db2.gz PCJBQSFDISSIMS-FQEVSTJZSA-N 1 0 383.513 4.549 40 0 GJABRO CC(C)c1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000219425214 570360184 /nfs/dbraw/zinc/36/01/84/570360184.db2.gz IUTCCOQNPXLQJJ-UHFFFAOYSA-N 1 0 396.550 4.910 40 0 GJABRO CCC(=O)N(CCC[NH+](CC)CC)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214936 570363030 /nfs/dbraw/zinc/36/30/30/570363030.db2.gz ORKONTGGSCIKMV-UHFFFAOYSA-N 1 0 379.957 4.938 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047944 570425805 /nfs/dbraw/zinc/42/58/05/570425805.db2.gz KGSXORVANNQUIT-YJMSJCLFSA-N 1 0 381.601 4.501 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000039753182 570447291 /nfs/dbraw/zinc/44/72/91/570447291.db2.gz IASSPNBDHQDPPV-UHFFFAOYSA-N 1 0 390.571 4.688 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000244273740 570458369 /nfs/dbraw/zinc/45/83/69/570458369.db2.gz WPYARGIWCPKYDD-UHFFFAOYSA-N 1 0 383.446 4.529 40 0 GJABRO CC(C)(C)[NH2+]C[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000005833871 570458812 /nfs/dbraw/zinc/45/88/12/570458812.db2.gz JOVARRUCCRAWIH-GFCCVEGCSA-N 1 0 380.332 4.694 40 0 GJABRO C[C@H](CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415389 570464909 /nfs/dbraw/zinc/46/49/09/570464909.db2.gz XTCWMGJXGKXNPS-HXUWFJFHSA-N 1 0 384.523 4.778 40 0 GJABRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1ccc(C(F)(F)F)cc1 ZINC000035316534 570469801 /nfs/dbraw/zinc/46/98/01/570469801.db2.gz AQHRTZCETMZCBF-UHFFFAOYSA-N 1 0 391.412 4.979 40 0 GJABRO Cc1ccccc1-c1nnc(SCC[NH+]2CCCCC2)n1-c1ccccc1 ZINC000000877866 570504126 /nfs/dbraw/zinc/50/41/26/570504126.db2.gz SBPASICKMWTBNC-UHFFFAOYSA-N 1 0 378.545 4.821 40 0 GJABRO COc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccccc1Cl ZINC000008373833 570530074 /nfs/dbraw/zinc/53/00/74/570530074.db2.gz TYNLYANALUXMQH-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000036092722 570554408 /nfs/dbraw/zinc/55/44/08/570554408.db2.gz AKRBXFCRANQGLD-MBSDFSHPSA-N 1 0 380.532 4.808 40 0 GJABRO CCCCc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1 ZINC000225210580 570556568 /nfs/dbraw/zinc/55/65/68/570556568.db2.gz WWEHSSAFMLWAIV-UHFFFAOYSA-N 1 0 393.600 4.511 40 0 GJABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c(Cl)c1 ZINC000225229933 570558192 /nfs/dbraw/zinc/55/81/92/570558192.db2.gz LUXVUERUWSMVSU-UHFFFAOYSA-N 1 0 379.982 4.661 40 0 GJABRO O=C(Nc1ccc(Br)cc1F)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010328866 570569318 /nfs/dbraw/zinc/56/93/18/570569318.db2.gz ALYRIYFESWNXBQ-UHFFFAOYSA-N 1 0 391.284 4.826 40 0 GJABRO CC1(C)CC(N(Cc2cccnc2)Cc2cccc3cccnc32)CC(C)(C)[NH2+]1 ZINC000036740532 570569430 /nfs/dbraw/zinc/56/94/30/570569430.db2.gz KRTOSUJOIIBGEN-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225618859 570594803 /nfs/dbraw/zinc/59/48/03/570594803.db2.gz MERZXCVAFBYIOE-DNVFCKCGSA-N 1 0 390.568 4.577 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225618805 570594883 /nfs/dbraw/zinc/59/48/83/570594883.db2.gz MERZXCVAFBYIOE-SELNLUPBSA-N 1 0 390.568 4.577 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225731077 570610201 /nfs/dbraw/zinc/61/02/01/570610201.db2.gz NSTWCSJPGHITCT-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO CCCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260741096 570702570 /nfs/dbraw/zinc/70/25/70/570702570.db2.gz FPBADLLAYPZQRT-AWEZNQCLSA-N 1 0 390.578 4.524 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812427 570707212 /nfs/dbraw/zinc/70/72/12/570707212.db2.gz BFZAJVMNDAMSDN-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812457 570707229 /nfs/dbraw/zinc/70/72/29/570707229.db2.gz BYKHCSXHBFITSH-CVDCTZTESA-N 1 0 390.568 4.577 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2Cl)cc1 ZINC000006629890 570748214 /nfs/dbraw/zinc/74/82/14/570748214.db2.gz IDVMPJOCIBWTJU-UHFFFAOYSA-N 1 0 389.952 4.617 40 0 GJABRO CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCc3c[nH]c4ccccc34)o2)cc1 ZINC000007520404 570759971 /nfs/dbraw/zinc/75/99/71/570759971.db2.gz VRHCXYKHIVIQHR-UHFFFAOYSA-N 1 0 388.467 4.937 40 0 GJABRO O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000007891087 570762887 /nfs/dbraw/zinc/76/28/87/570762887.db2.gz ZDHJYIXRSDTNRS-UHFFFAOYSA-N 1 0 379.287 4.607 40 0 GJABRO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013673394 570771210 /nfs/dbraw/zinc/77/12/10/570771210.db2.gz WKILMXLQDSHLIU-IBGZPJMESA-N 1 0 382.507 4.836 40 0 GJABRO COc1ccc(C(C)(C)C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000019084423 570956170 /nfs/dbraw/zinc/95/61/70/570956170.db2.gz JOCSVJSQUWGLAR-OFFJZUQKSA-N 1 0 394.559 4.507 40 0 GJABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081708 570956326 /nfs/dbraw/zinc/95/63/26/570956326.db2.gz LRGFKSWVIAQCKE-GGAORHGYSA-N 1 0 393.575 4.772 40 0 GJABRO COc1cc(C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)cc(OC)c1OC ZINC000019237633 570967394 /nfs/dbraw/zinc/96/73/94/570967394.db2.gz ABTUADLBOKWKDT-SFHVURJKSA-N 1 0 398.528 4.551 40 0 GJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400629 570982091 /nfs/dbraw/zinc/98/20/91/570982091.db2.gz YJEJBOYWILOFSN-DENIHFKCSA-N 1 0 397.950 4.605 40 0 GJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400632 570982316 /nfs/dbraw/zinc/98/23/16/570982316.db2.gz YJEJBOYWILOFSN-SIKLNZKXSA-N 1 0 397.950 4.605 40 0 GJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019400457 570982429 /nfs/dbraw/zinc/98/24/29/570982429.db2.gz ANZNQKFCIDZDIG-SGIRGMQISA-N 1 0 395.591 4.888 40 0 GJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019400460 570982457 /nfs/dbraw/zinc/98/24/57/570982457.db2.gz ANZNQKFCIDZDIG-HWBMXIPRSA-N 1 0 395.591 4.888 40 0 GJABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C ZINC000019692031 571029739 /nfs/dbraw/zinc/02/97/39/571029739.db2.gz RTLRNADRQNFLRK-XMMPIXPASA-N 1 0 392.522 4.982 40 0 GJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096053038 571097649 /nfs/dbraw/zinc/09/76/49/571097649.db2.gz XLDQLNFOOOWJOG-FQEVSTJZSA-N 1 0 394.559 4.868 40 0 GJABRO CC(C)C(=O)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071309 571098659 /nfs/dbraw/zinc/09/86/59/571098659.db2.gz KHNZNHDIOHAQSZ-RUZDIDTESA-N 1 0 376.544 4.967 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](Cc2ccsc2)c2ccc(C)cn2)ccc1OC ZINC000019532145 210258368 /nfs/dbraw/zinc/25/83/68/210258368.db2.gz AZNATTVLZZTYHD-FQEVSTJZSA-N 1 0 382.529 4.932 40 0 GJABRO O=C(c1cccc(Cl)c1)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408613046 231079576 /nfs/dbraw/zinc/07/95/76/231079576.db2.gz WTSZKKSQERSEJY-UHFFFAOYSA-N 1 0 382.935 4.858 40 0 GJABRO O[C@H](C[C@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568067 206385554 /nfs/dbraw/zinc/38/55/54/206385554.db2.gz YZLLVZLRDRSNKO-QMTHXVAHSA-N 1 0 392.343 4.838 40 0 GJABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2c1[C@@H](c1ccccc1)C(C)(C)O2 ZINC000001708597 206389889 /nfs/dbraw/zinc/38/98/89/206389889.db2.gz PUPZSDCVJPVQTJ-FXAWDEMLSA-N 1 0 382.552 4.702 40 0 GJABRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 ZINC000016678220 207075635 /nfs/dbraw/zinc/07/56/35/207075635.db2.gz OZVXSDUCWDTYGK-UHFFFAOYSA-N 1 0 392.330 4.778 40 0 GJABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC000019237861 207111626 /nfs/dbraw/zinc/11/16/26/207111626.db2.gz UQUCPSZTLBWOQG-NRRYGQPISA-N 1 0 398.550 4.752 40 0 GJABRO COc1cc2c(cc1OC)[C@@H](C1CCCCC1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019550781 207130993 /nfs/dbraw/zinc/13/09/93/207130993.db2.gz HUWOWXPNGHPKQU-DENIHFKCSA-N 1 0 382.504 4.616 40 0 GJABRO [NH3+]C[C@@H](c1ccc(/C=C\c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019874844 207168201 /nfs/dbraw/zinc/16/82/01/207168201.db2.gz JUZLLQQOVNWRMW-ZQJVVAQZSA-N 1 0 383.539 4.679 40 0 GJABRO Cc1ccc(S[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000024650724 207292911 /nfs/dbraw/zinc/29/29/11/207292911.db2.gz RFBJFEORZOQSRD-IBGZPJMESA-N 1 0 382.573 4.778 40 0 GJABRO C[C@H](SCc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873344 207642190 /nfs/dbraw/zinc/64/21/90/207642190.db2.gz LKRIZDFRAGTLJE-IBGZPJMESA-N 1 0 382.573 4.611 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc(C3CC[NH+](Cc4ccccn4)CC3)n2)c1 ZINC000072359436 208002468 /nfs/dbraw/zinc/00/24/68/208002468.db2.gz CJXZCPHELISTOE-UHFFFAOYSA-N 1 0 398.432 4.937 40 0 GJABRO CNc1ncccc1C[NH+]1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 ZINC000072359810 208003497 /nfs/dbraw/zinc/00/34/97/208003497.db2.gz HGTOUHKDNGSVRB-UHFFFAOYSA-N 1 0 393.922 4.613 40 0 GJABRO Cc1nnc(Nc2cccc(C3CC[NH+](Cc4ccccc4C)CC3)n2)s1 ZINC000072376155 208008419 /nfs/dbraw/zinc/00/84/19/208008419.db2.gz PUABNHDZYBSXBI-UHFFFAOYSA-N 1 0 379.533 4.673 40 0 GJABRO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)c1 ZINC000072380354 208011248 /nfs/dbraw/zinc/01/12/48/208011248.db2.gz LCNKBHRFTCTAFL-HSZRJFAPSA-N 1 0 384.483 4.971 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)o1 ZINC000096052671 208257014 /nfs/dbraw/zinc/25/70/14/208257014.db2.gz ASKIBQGGIYBFLA-FQEVSTJZSA-N 1 0 392.543 4.525 40 0 GJABRO CC1(C)C[C@@H]([C@H](CC[NH2+]Cc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 ZINC000026532612 208904261 /nfs/dbraw/zinc/90/42/61/208904261.db2.gz PWNDMUMGAWMMEF-YADHBBJMSA-N 1 0 395.543 4.959 40 0 GJABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)[nH+]1 ZINC000257262410 209062208 /nfs/dbraw/zinc/06/22/08/209062208.db2.gz LLHCWRZVAKNRNF-IBGZPJMESA-N 1 0 394.494 4.564 40 0 GJABRO Cc1ccc(SCc2ccc(C(=O)NCCC[NH+]3CCCCC3)cc2)cc1 ZINC000013672003 221280336 /nfs/dbraw/zinc/28/03/36/221280336.db2.gz UGXSVFAEHWWBHR-UHFFFAOYSA-N 1 0 382.573 4.893 40 0 GJABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1 ZINC000019019850 221395374 /nfs/dbraw/zinc/39/53/74/221395374.db2.gz OCUOEFCYNGNJIF-UHFFFAOYSA-N 1 0 384.564 4.621 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257320992 209074813 /nfs/dbraw/zinc/07/48/13/209074813.db2.gz VZQKIPKYPXYBCQ-GOSISDBHSA-N 1 0 386.499 4.899 40 0 GJABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044932261 221958656 /nfs/dbraw/zinc/95/86/56/221958656.db2.gz JJUNVDPVEQQPLV-UHFFFAOYSA-N 1 0 380.532 4.780 40 0 GJABRO O=C(CCSCc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875020 221955701 /nfs/dbraw/zinc/95/57/01/221955701.db2.gz CTVSEOXOWDJSOG-UHFFFAOYSA-N 1 0 382.573 4.612 40 0 GJABRO CCc1ncc(C[N@@H+]2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350245 222236910 /nfs/dbraw/zinc/23/69/10/222236910.db2.gz XLKAIZQKKYPVMT-IBGZPJMESA-N 1 0 376.479 4.620 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358396 222239894 /nfs/dbraw/zinc/23/98/94/222239894.db2.gz QCKWRKHNOORXMN-IBGZPJMESA-N 1 0 377.463 4.671 40 0 GJABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000072372449 222242322 /nfs/dbraw/zinc/24/23/22/222242322.db2.gz AVSYCSILNMRPAX-XMMPIXPASA-N 1 0 381.483 4.732 40 0 GJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CC1 ZINC000096052985 222374430 /nfs/dbraw/zinc/37/44/30/222374430.db2.gz IIJXORWSKQOWMA-LJQANCHMSA-N 1 0 392.518 4.516 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)o1 ZINC000096052672 222374619 /nfs/dbraw/zinc/37/46/19/222374619.db2.gz ASKIBQGGIYBFLA-HXUWFJFHSA-N 1 0 392.543 4.525 40 0 GJABRO Cc1ccc2occ(C[N@H+](CCCn3ccnc3)C[C@H]3CC=CCC3)c(=O)c2c1 ZINC000019219767 524098021 /nfs/dbraw/zinc/09/80/21/524098021.db2.gz KAMYGRNFWDDCEJ-FQEVSTJZSA-N 1 0 391.515 4.547 40 0 GJABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000585271279 570239691 /nfs/dbraw/zinc/23/96/91/570239691.db2.gz VUOWLNUDRNOZMW-QFIPXVFZSA-N 1 0 384.907 4.536 40 0 GJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075106 570305250 /nfs/dbraw/zinc/30/52/50/570305250.db2.gz UFHOGLLBTUQNFZ-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932766 570369074 /nfs/dbraw/zinc/36/90/74/570369074.db2.gz DSIXHBFXZSSULK-FYSRCPGPSA-N 1 0 387.608 4.935 40 0 GJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000004887939 570415670 /nfs/dbraw/zinc/41/56/70/570415670.db2.gz BXUPEAIAVQPVLA-SEJPIABJSA-N 1 0 386.898 4.795 40 0 GJABRO CC(C)C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000004886597 570415678 /nfs/dbraw/zinc/41/56/78/570415678.db2.gz IXVZENKBECBETE-AYHJJNSGSA-N 1 0 383.458 4.868 40 0 GJABRO CCC(CC)C[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC ZINC000005063199 570427599 /nfs/dbraw/zinc/42/75/99/570427599.db2.gz XQDQBYIIIBVIBX-QMHWCDLVSA-N 1 0 375.553 4.590 40 0 GJABRO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222889930 570430240 /nfs/dbraw/zinc/43/02/40/570430240.db2.gz PWBCFIGQVZPCNV-OAQYLSRUSA-N 1 0 376.475 4.507 40 0 GJABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222975702 570434237 /nfs/dbraw/zinc/43/42/37/570434237.db2.gz AYVLMLDXJPEKAG-JOCHJYFZSA-N 1 0 396.531 4.573 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)CC2)cc1 ZINC000222974752 570434355 /nfs/dbraw/zinc/43/43/55/570434355.db2.gz QNWHQJXMYACIJL-FQEVSTJZSA-N 1 0 390.571 4.963 40 0 GJABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992997 570435863 /nfs/dbraw/zinc/43/58/63/570435863.db2.gz RAEZAAZRMUJZOP-FDDCHVKYSA-N 1 0 394.534 4.794 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000039753156 570447217 /nfs/dbraw/zinc/44/72/17/570447217.db2.gz DGONQVSCSMECSJ-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO CC(C)Oc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039757620 570449160 /nfs/dbraw/zinc/44/91/60/570449160.db2.gz RIPDBAIIOSLIHL-UHFFFAOYSA-N 1 0 386.923 4.978 40 0 GJABRO C[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000223213254 570450251 /nfs/dbraw/zinc/45/02/51/570450251.db2.gz GSWWDFXTXDVUCL-RTBURBONSA-N 1 0 376.544 4.898 40 0 GJABRO C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242555 570452144 /nfs/dbraw/zinc/45/21/44/570452144.db2.gz APEXTNAXSUPPOK-HTAPYJJXSA-N 1 0 396.962 4.918 40 0 GJABRO Fc1ccccc1C[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1 ZINC000226308043 570459428 /nfs/dbraw/zinc/45/94/28/570459428.db2.gz JGVADIIVROTOHP-UHFFFAOYSA-N 1 0 384.228 4.732 40 0 GJABRO Cc1cc(C)c([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000223471133 570467702 /nfs/dbraw/zinc/46/77/02/570467702.db2.gz DYDRAQWJZMVFGB-IBGZPJMESA-N 1 0 382.523 4.840 40 0 GJABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccccc1F ZINC000007274925 570502152 /nfs/dbraw/zinc/50/21/52/570502152.db2.gz PKGFUJZHVMSWKA-UHFFFAOYSA-N 1 0 386.854 4.752 40 0 GJABRO O=C(COc1ccc2ccccc2c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696705 570525375 /nfs/dbraw/zinc/52/53/75/570525375.db2.gz CXRDTLPINJHVLB-UHFFFAOYSA-N 1 0 388.511 4.521 40 0 GJABRO Cc1cc(C)cc(CSCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224806569 570531778 /nfs/dbraw/zinc/53/17/78/570531778.db2.gz WBPVYZZDGFABGT-UHFFFAOYSA-N 1 0 396.600 4.839 40 0 GJABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837626 570533224 /nfs/dbraw/zinc/53/32/24/570533224.db2.gz WVGPCQJXKCGUHU-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837738 570533394 /nfs/dbraw/zinc/53/33/94/570533394.db2.gz AUFUZLOEWBXZKN-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@H+](Cc1ccccc1Cl)CC2 ZINC000002417618 570544137 /nfs/dbraw/zinc/54/41/37/570544137.db2.gz DHAIHTADTTVAFV-YFXJRYMSSA-N 1 0 399.918 4.937 40 0 GJABRO C[N@@H+]1CCC[C@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000009876520 570562236 /nfs/dbraw/zinc/56/22/36/570562236.db2.gz WSJSILTXEANKKH-OAHLLOKOSA-N 1 0 389.952 4.761 40 0 GJABRO COc1ccc2c(C[N@H+](CCCn3ccnc3)Cc3ccc(C)s3)c[nH]c2c1 ZINC000036740414 570568943 /nfs/dbraw/zinc/56/89/43/570568943.db2.gz QXJBMRLNNMBVEA-UHFFFAOYSA-N 1 0 394.544 4.835 40 0 GJABRO CCc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000225412900 570571607 /nfs/dbraw/zinc/57/16/07/570571607.db2.gz BXCQTOJTKKQVJU-LAUBAEHRSA-N 1 0 384.951 4.992 40 0 GJABRO S=C(NCCC[NH+]1CCCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225433350 570573753 /nfs/dbraw/zinc/57/37/53/570573753.db2.gz BFDPSUOEFJBMLZ-UHFFFAOYSA-N 1 0 385.602 4.751 40 0 GJABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000225503330 570581114 /nfs/dbraw/zinc/58/11/14/570581114.db2.gz XMHXOCVRTSKGPQ-UHFFFAOYSA-N 1 0 380.532 4.858 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832905 570584754 /nfs/dbraw/zinc/58/47/54/570584754.db2.gz ZEZJHYHGZRDWJA-QGZVFWFLSA-N 1 0 391.342 4.864 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225707210 570607139 /nfs/dbraw/zinc/60/71/39/570607139.db2.gz ARBBDOMBESPRPC-IBGZPJMESA-N 1 0 388.552 4.618 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCCCC1 ZINC000225711455 570607553 /nfs/dbraw/zinc/60/75/53/570607553.db2.gz AITBGVUHWFRJCK-UHFFFAOYSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225731183 570610183 /nfs/dbraw/zinc/61/01/83/570610183.db2.gz BFZAJVMNDAMSDN-WMZHIEFXSA-N 1 0 390.568 4.864 40 0 GJABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225736295 570611223 /nfs/dbraw/zinc/61/12/23/570611223.db2.gz KQUKAWOPFJHELV-GFCCVEGCSA-N 1 0 393.906 4.767 40 0 GJABRO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000012135227 570614029 /nfs/dbraw/zinc/61/40/29/570614029.db2.gz LAUDPYYUXVDWKJ-QRTHJKPMSA-N 1 0 391.342 4.817 40 0 GJABRO Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000012238195 570629468 /nfs/dbraw/zinc/62/94/68/570629468.db2.gz FOSKAZREFDFIQF-HXUWFJFHSA-N 1 0 397.588 4.528 40 0 GJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000044855370 570636731 /nfs/dbraw/zinc/63/67/31/570636731.db2.gz HPSABWCOEOQMET-JOCHJYFZSA-N 1 0 392.543 4.626 40 0 GJABRO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2c[nH]cc3c(Cl)nnc2-3)cc1 ZINC000057797095 570703826 /nfs/dbraw/zinc/70/38/26/570703826.db2.gz MDUQDAPESQKMBH-UHFFFAOYSA-N 1 0 377.879 4.517 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816737 570707824 /nfs/dbraw/zinc/70/78/24/570707824.db2.gz PHJVMOVURMATTA-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000005944344 570736639 /nfs/dbraw/zinc/73/66/39/570736639.db2.gz KGSHUYRLAWPJIC-UHFFFAOYSA-N 1 0 395.572 4.707 40 0 GJABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3oc4ccccc4c3C)n(C)n2)CC1 ZINC000257304418 570905284 /nfs/dbraw/zinc/90/52/84/570905284.db2.gz SLOBJSCCJCYGIH-WGSAOQKQSA-N 1 0 394.563 4.600 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000260577725 570921204 /nfs/dbraw/zinc/92/12/04/570921204.db2.gz JRTWPQZASLBWHL-GCJKJVERSA-N 1 0 392.543 4.951 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100875 570928675 /nfs/dbraw/zinc/92/86/75/570928675.db2.gz ZWLJDNFTWKQLJH-VWLOTQADSA-N 1 0 392.543 4.551 40 0 GJABRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585108041 570939431 /nfs/dbraw/zinc/93/94/31/570939431.db2.gz XOMRSLXDYZPEBI-BDKRGJGYSA-N 1 0 386.967 4.557 40 0 GJABRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585108044 570939528 /nfs/dbraw/zinc/93/95/28/570939528.db2.gz XOMRSLXDYZPEBI-NMIHRBCNSA-N 1 0 386.967 4.557 40 0 GJABRO CC(C)Cn1cnc2c1C1(CC[NH+](Cc3ccco3)CC1)Oc1ccccc1-2 ZINC000306131831 570939973 /nfs/dbraw/zinc/93/99/73/570939973.db2.gz KQONERXEFYKCJR-UHFFFAOYSA-N 1 0 377.488 4.683 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)CC2=Cc3ccccc3OC2)s1 ZINC000019217147 570961820 /nfs/dbraw/zinc/96/18/20/570961820.db2.gz LHWYIXNQVOAGNH-UHFFFAOYSA-N 1 0 379.529 4.621 40 0 GJABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329045506 212094448 /nfs/dbraw/zinc/09/44/48/212094448.db2.gz TVYGKEQYWMADDK-MRXNPFEDSA-N 1 0 380.536 4.571 40 0 GJABRO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329029685 212093852 /nfs/dbraw/zinc/09/38/52/212093852.db2.gz QAEBHFQZZNXHKC-INIZCTEOSA-N 1 0 382.552 4.601 40 0 GJABRO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328986108 212092038 /nfs/dbraw/zinc/09/20/38/212092038.db2.gz HWGQTZODSCVTSL-UHFFFAOYSA-N 1 0 389.341 4.746 40 0 GJABRO CCOc1ccc(-c2cn3c([n+]2-c2ccc(OC)cc2)CCc2ccccc2-3)cc1 ZINC000000637279 206310465 /nfs/dbraw/zinc/31/04/65/206310465.db2.gz ZOLKUUGAKGHTBQ-UHFFFAOYSA-N 1 0 397.498 4.927 40 0 GJABRO CSc1ccc(C[NH+]2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 ZINC000019574049 207138646 /nfs/dbraw/zinc/13/86/46/207138646.db2.gz DCYPXKQCEZHQGI-UHFFFAOYSA-N 1 0 388.920 4.807 40 0 GJABRO CC(C)c1ccc([C@H](C)NC(=O)CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000019748205 207158254 /nfs/dbraw/zinc/15/82/54/207158254.db2.gz MMNVJZPPGAWLHR-IBGZPJMESA-N 1 0 379.548 4.685 40 0 GJABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072376335 208010457 /nfs/dbraw/zinc/01/04/57/208010457.db2.gz FGTQBKBKOWHJQV-QFIPXVFZSA-N 1 0 396.498 4.809 40 0 GJABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)o1 ZINC000096099928 208264900 /nfs/dbraw/zinc/26/49/00/208264900.db2.gz AKPOPECYKSAYOU-UHFFFAOYSA-N 1 0 386.499 4.916 40 0 GJABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225702847 208968773 /nfs/dbraw/zinc/96/87/73/208968773.db2.gz LAHMCZMXEHNJKI-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO Cc1cnc(Nc2cc(C3CC[NH+](CCc4ccccc4)CC3)nc(C)n2)s1 ZINC000257216428 209057076 /nfs/dbraw/zinc/05/70/76/209057076.db2.gz CUMYXEANLGLKKX-UHFFFAOYSA-N 1 0 393.560 4.716 40 0 GJABRO c1cnc2cccc(C[NH+]3CCC(c4cccc(Nc5cnccn5)n4)CC3)c2c1 ZINC000257245474 209059110 /nfs/dbraw/zinc/05/91/10/209059110.db2.gz IPQYHJSURWTASP-UHFFFAOYSA-N 1 0 396.498 4.543 40 0 GJABRO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000012089085 221149426 /nfs/dbraw/zinc/14/94/26/221149426.db2.gz CWENTLVNHHEKEY-QRTHJKPMSA-N 1 0 391.342 4.817 40 0 GJABRO COc1ccc(-c2ncc(C[NH2+]C3(c4ccccc4F)CCCC3)cn2)cc1 ZINC000012292879 221176701 /nfs/dbraw/zinc/17/67/01/221176701.db2.gz HXRBQCITAZLHOI-UHFFFAOYSA-N 1 0 377.463 4.850 40 0 GJABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569004 221274076 /nfs/dbraw/zinc/27/40/76/221274076.db2.gz BKXWAKHJJCJBIH-SFHVURJKSA-N 1 0 392.474 4.830 40 0 GJABRO O=C(C[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000016477296 221363369 /nfs/dbraw/zinc/36/33/69/221363369.db2.gz ZQMHKZFWWMFSAS-DEOSSOPVSA-N 1 0 388.486 4.962 40 0 GJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)[nH+]1 ZINC000257311709 209072495 /nfs/dbraw/zinc/07/24/95/209072495.db2.gz UKRPWTLEBJOQRB-GOSISDBHSA-N 1 0 375.447 4.902 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 ZINC000057740248 222036579 /nfs/dbraw/zinc/03/65/79/222036579.db2.gz JIPREIDXBGJOPH-SFHVURJKSA-N 1 0 398.510 4.613 40 0 GJABRO C[NH+](C)CCOc1ccc([C@H](c2ccccc2)[C@@H](CCO)c2ccccc2)cc1 ZINC000071625198 222186302 /nfs/dbraw/zinc/18/63/02/222186302.db2.gz LSBUBGBAISEBHG-UIOOFZCWSA-N 1 0 389.539 4.925 40 0 GJABRO c1cnc2cccc(C[N@@H+]3CCC[C@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375738 222243073 /nfs/dbraw/zinc/24/30/73/222243073.db2.gz QZDNQPUFOIBCQA-NRFANRHFSA-N 1 0 382.471 4.501 40 0 GJABRO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](CC[C@@H](C)c3ccc(C)o3)C2)on1 ZINC000072396705 222251960 /nfs/dbraw/zinc/25/19/60/222251960.db2.gz GYYQDWYCEHWADR-CJNGLKHVSA-N 1 0 386.521 4.776 40 0 GJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000078582370 222297290 /nfs/dbraw/zinc/29/72/90/222297290.db2.gz SBBBJMSHASPKCE-OAQYLSRUSA-N 1 0 379.548 4.839 40 0 GJABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)s1 ZINC000096038247 222374630 /nfs/dbraw/zinc/37/46/30/222374630.db2.gz YFLOPGMFYJLXJF-UHFFFAOYSA-N 1 0 389.528 4.541 40 0 GJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053311 222374900 /nfs/dbraw/zinc/37/49/00/222374900.db2.gz YRJFWSKEAHMOAJ-LJQANCHMSA-N 1 0 398.572 4.564 40 0 GJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000020044918 570237441 /nfs/dbraw/zinc/23/74/41/570237441.db2.gz AKRBXFCRANQGLD-JPYJTQIMSA-N 1 0 380.532 4.808 40 0 GJABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286928 570255948 /nfs/dbraw/zinc/25/59/48/570255948.db2.gz XUYSCIQDARQPCL-ZEQRLZLVSA-N 1 0 398.978 4.711 40 0 GJABRO O=C(Nc1cccc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208876276 570263117 /nfs/dbraw/zinc/26/31/17/570263117.db2.gz VNZACHDXGSNDAD-XWDORNJCSA-N 1 0 385.939 4.767 40 0 GJABRO CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H]([NH3+])CO ZINC000214702201 570280606 /nfs/dbraw/zinc/28/06/06/570280606.db2.gz CKNOUMOYIGNOBN-SRNRTSRNSA-N 1 0 377.569 4.995 40 0 GJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076619 570320724 /nfs/dbraw/zinc/32/07/24/570320724.db2.gz VYQBNRUFRDRUFK-XOBRGWDASA-N 1 0 386.289 4.921 40 0 GJABRO C[NH+](C)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(F)cc2)cs1 ZINC000004215050 570363388 /nfs/dbraw/zinc/36/33/88/570363388.db2.gz SVJMWKTYPYBCKH-UHFFFAOYSA-N 1 0 389.521 4.609 40 0 GJABRO CC1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 ZINC000004745305 570401854 /nfs/dbraw/zinc/40/18/54/570401854.db2.gz BWGQRHGLILPDNB-SDPJGKNGSA-N 1 0 382.592 4.758 40 0 GJABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000223004914 570436974 /nfs/dbraw/zinc/43/69/74/570436974.db2.gz BGSTUFARMDNZMQ-HSZRJFAPSA-N 1 0 396.531 4.573 40 0 GJABRO CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000223004973 570437037 /nfs/dbraw/zinc/43/70/37/570437037.db2.gz BGSTUFARMDNZMQ-QHCPKHFHSA-N 1 0 396.531 4.573 40 0 GJABRO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039424683 570445683 /nfs/dbraw/zinc/44/56/83/570445683.db2.gz SSLSTGAIHLCJQK-UHFFFAOYSA-N 1 0 393.314 4.853 40 0 GJABRO O=C(C1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000039766796 570446199 /nfs/dbraw/zinc/44/61/99/570446199.db2.gz ZPQRWJITPGWSMB-UHFFFAOYSA-N 1 0 394.534 4.519 40 0 GJABRO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1C ZINC000035291766 570460537 /nfs/dbraw/zinc/46/05/37/570460537.db2.gz AMCGJELAQIOBNS-UHFFFAOYSA-N 1 0 396.922 4.651 40 0 GJABRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000035292367 570461583 /nfs/dbraw/zinc/46/15/83/570461583.db2.gz RCVGWLSFFCWWCV-XDNSSPFJSA-N 1 0 383.536 4.729 40 0 GJABRO COc1ccc([C@H](C[NH+](C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000006437116 570479918 /nfs/dbraw/zinc/47/99/18/570479918.db2.gz UCYAFVHTCDZUMO-QHCPKHFHSA-N 1 0 389.495 4.673 40 0 GJABRO CC(C)(C)c1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224096181 570498390 /nfs/dbraw/zinc/49/83/90/570498390.db2.gz VKBLKDXEVALACF-UHFFFAOYSA-N 1 0 394.559 4.779 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cc4ccncc4)cc3)CC2)cc1 ZINC000224531550 570516673 /nfs/dbraw/zinc/51/66/73/570516673.db2.gz FMNHXYMIQLYVCM-UHFFFAOYSA-N 1 0 399.538 4.832 40 0 GJABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224637322 570521925 /nfs/dbraw/zinc/52/19/25/570521925.db2.gz UURNTJFGCNEIQZ-FQEVSTJZSA-N 1 0 394.559 4.798 40 0 GJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(c1ccccc1)c1ccccc1 ZINC000008429913 570531644 /nfs/dbraw/zinc/53/16/44/570531644.db2.gz XQPSNIDPCQWUHA-UHFFFAOYSA-N 1 0 384.523 4.731 40 0 GJABRO COc1cccc(C[NH2+]CCc2ccc(F)cc2)c1OCc1ccccc1F ZINC000008495658 570532851 /nfs/dbraw/zinc/53/28/51/570532851.db2.gz CXTBOGVZCOQQEL-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224849776 570534318 /nfs/dbraw/zinc/53/43/18/570534318.db2.gz VQVDKYCHRDOKPG-DEOSSOPVSA-N 1 0 394.559 4.709 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2N2CCCCC2)o1 ZINC000036740287 570568638 /nfs/dbraw/zinc/56/86/38/570568638.db2.gz IRAFUZYGOLSGSK-UHFFFAOYSA-N 1 0 392.547 4.867 40 0 GJABRO Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2N2CCCC2)c1 ZINC000036740198 570568828 /nfs/dbraw/zinc/56/88/28/570568828.db2.gz QAOGDQMDBVJIIU-UHFFFAOYSA-N 1 0 392.522 4.715 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)C1 ZINC000225429034 570573314 /nfs/dbraw/zinc/57/33/14/570573314.db2.gz ABPWTMCGQBEVTO-MRXNPFEDSA-N 1 0 392.528 4.689 40 0 GJABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515592 570582821 /nfs/dbraw/zinc/58/28/21/570582821.db2.gz GFDLSCLKKFLHHA-UHFFFAOYSA-N 1 0 398.522 4.997 40 0 GJABRO O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835023 570586464 /nfs/dbraw/zinc/58/64/64/570586464.db2.gz OFBHPVSDSYDYFY-CQSZACIVSA-N 1 0 381.278 4.983 40 0 GJABRO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835504 570586596 /nfs/dbraw/zinc/58/65/96/570586596.db2.gz MFWSIRPZHTXAQI-CQSZACIVSA-N 1 0 381.278 4.983 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225692997 570603925 /nfs/dbraw/zinc/60/39/25/570603925.db2.gz RNPINJKJDFHXLS-PWHSHALESA-N 1 0 390.568 4.577 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225693522 570604042 /nfs/dbraw/zinc/60/40/42/570604042.db2.gz YFWBUUGCLCQBOF-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225735003 570611147 /nfs/dbraw/zinc/61/11/47/570611147.db2.gz SXTKTYVKMQXUGA-HSZRJFAPSA-N 1 0 392.584 4.967 40 0 GJABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000043729638 570630131 /nfs/dbraw/zinc/63/01/31/570630131.db2.gz XUCQBPWORLFMCR-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO Cc1ccccc1CSCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873298 570637612 /nfs/dbraw/zinc/63/76/12/570637612.db2.gz YCVRIFNRONSICL-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO CC(C)Oc1cccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000044882677 570638597 /nfs/dbraw/zinc/63/85/97/570638597.db2.gz RUOYRLVUKSBKQI-UHFFFAOYSA-N 1 0 380.532 4.780 40 0 GJABRO CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000044910216 570642345 /nfs/dbraw/zinc/64/23/45/570642345.db2.gz RTPOOGUUTGFYTQ-MRXNPFEDSA-N 1 0 377.315 4.868 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2C)C3)cc1 ZINC000004887952 570642652 /nfs/dbraw/zinc/64/26/52/570642652.db2.gz FMLBJFYOCYDRPC-SEJPIABJSA-N 1 0 393.531 4.711 40 0 GJABRO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000044912300 570642797 /nfs/dbraw/zinc/64/27/97/570642797.db2.gz MBPXYVHZEMXNHR-KRWDZBQOSA-N 1 0 391.342 4.830 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 ZINC000044918612 570643378 /nfs/dbraw/zinc/64/33/78/570643378.db2.gz BTRYEOPZMYGFHE-QFIPXVFZSA-N 1 0 392.543 4.951 40 0 GJABRO COc1ccccc1OCCn1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000004932930 570649642 /nfs/dbraw/zinc/64/96/42/570649642.db2.gz DTCAIAASCGGXRZ-UHFFFAOYSA-N 1 0 385.487 4.724 40 0 GJABRO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCC(C)(C)C[NH+](C)C)c1C ZINC000004980184 570656017 /nfs/dbraw/zinc/65/60/17/570656017.db2.gz BQXHPZMAOALZHJ-UHFFFAOYSA-N 1 0 385.943 4.666 40 0 GJABRO CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000226721175 570742002 /nfs/dbraw/zinc/74/20/02/570742002.db2.gz RLOYQHMWSVMPSX-LYGMZBLVSA-N 1 0 385.592 4.533 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1 ZINC000006629884 570748155 /nfs/dbraw/zinc/74/81/55/570748155.db2.gz FWAFVNRGALYSMO-UHFFFAOYSA-N 1 0 383.561 4.779 40 0 GJABRO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1ccccc1Cl ZINC000008254095 570766012 /nfs/dbraw/zinc/76/60/12/570766012.db2.gz OWKMGMCWIKFORL-UHFFFAOYSA-N 1 0 384.701 4.800 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257302697 570778300 /nfs/dbraw/zinc/77/83/00/570778300.db2.gz SDXUBYLXLUALSD-LJQANCHMSA-N 1 0 398.510 4.966 40 0 GJABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@H+](C)CC[C@H]1c1ccc(F)cc1 ZINC000257353594 570785417 /nfs/dbraw/zinc/78/54/17/570785417.db2.gz RZVKAWNUVBFUSF-RECXWPGBSA-N 1 0 375.528 4.865 40 0 GJABRO O=C(c1cc2ccccc2o1)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019376269 570982336 /nfs/dbraw/zinc/98/23/36/570982336.db2.gz IHMWPMCTMBUNLX-MZKRTTBSSA-N 1 0 392.474 4.712 40 0 GJABRO CC(C)c1cc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cs1 ZINC000019452166 570985656 /nfs/dbraw/zinc/98/56/56/570985656.db2.gz FBMIROVYXWDTSA-UHFFFAOYSA-N 1 0 398.572 4.807 40 0 GJABRO CCCc1cc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cs1 ZINC000019525237 570996924 /nfs/dbraw/zinc/99/69/24/570996924.db2.gz OIKHVISEYTULHM-UHFFFAOYSA-N 1 0 398.572 4.636 40 0 GJABRO Cc1ncsc1C(=O)NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1 ZINC000019562268 571005880 /nfs/dbraw/zinc/00/58/80/571005880.db2.gz DJMCJEZSPYJUAV-UHFFFAOYSA-N 1 0 397.588 4.548 40 0 GJABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3csc(C)c3)CC2)C1 ZINC000019572032 571010266 /nfs/dbraw/zinc/01/02/66/571010266.db2.gz OYCQWLVDICQSJC-UHFFFAOYSA-N 1 0 398.572 4.611 40 0 GJABRO COCCn1cc(C[NH2+]C2(c3cccc(OC)c3)CCCC2)c2ccccc21 ZINC000019594214 571020410 /nfs/dbraw/zinc/02/04/10/571020410.db2.gz HPEBXCCORVPGSJ-UHFFFAOYSA-N 1 0 378.516 4.855 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225693614 222690281 /nfs/dbraw/zinc/69/02/81/222690281.db2.gz DUXDJFNQKAACJH-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO O[C@@H]([C@@H](c1ccccc1)[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001690375 206390347 /nfs/dbraw/zinc/39/03/47/206390347.db2.gz WCNZEPPRMMCDML-RPBOFIJWSA-N 1 0 387.523 4.511 40 0 GJABRO CCCOc1c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cccc1OC ZINC000019503804 207126519 /nfs/dbraw/zinc/12/65/19/207126519.db2.gz SDKFYORYJCSWFG-SFHVURJKSA-N 1 0 379.504 4.740 40 0 GJABRO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c(C)n1 ZINC000019524546 207128443 /nfs/dbraw/zinc/12/84/43/207128443.db2.gz VUISWQKNKXDMJL-JOCHJYFZSA-N 1 0 394.519 4.992 40 0 GJABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000019719651 207155414 /nfs/dbraw/zinc/15/54/14/207155414.db2.gz ULKJRMAHSIACKM-IBGZPJMESA-N 1 0 381.499 4.539 40 0 GJABRO COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCC3)cc1 ZINC000022407675 207253862 /nfs/dbraw/zinc/25/38/62/207253862.db2.gz RAVJJADOZNNIMP-SANMLTNESA-N 1 0 399.514 4.622 40 0 GJABRO Cc1cccc(CSCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000024186376 207289085 /nfs/dbraw/zinc/28/90/85/207289085.db2.gz MMPMYSCJJOQVAD-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO CC(C)(C)c1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874976 207641193 /nfs/dbraw/zinc/64/11/93/207641193.db2.gz WFOKDRAFHNCRAP-UHFFFAOYSA-N 1 0 394.559 4.665 40 0 GJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052746 208255678 /nfs/dbraw/zinc/25/56/78/208255678.db2.gz KPVWNSHISKWAKO-IBGZPJMESA-N 1 0 394.584 4.828 40 0 GJABRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000022074320 208830791 /nfs/dbraw/zinc/83/07/91/208830791.db2.gz OPBRKRLWAIZSNE-UHFFFAOYSA-N 1 0 399.126 4.553 40 0 GJABRO Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000257199793 209053451 /nfs/dbraw/zinc/05/34/51/209053451.db2.gz AAVJIWKNYABDCX-IBGZPJMESA-N 1 0 379.895 4.501 40 0 GJABRO Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CC[NH+](CC3CC3)CC2)c1 ZINC000257213983 209057121 /nfs/dbraw/zinc/05/71/21/209057121.db2.gz CJXWDSPUIPAKPW-UHFFFAOYSA-N 1 0 390.571 4.785 40 0 GJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](CC3=CCCOC3)C2)n1 ZINC000257244237 209059706 /nfs/dbraw/zinc/05/97/06/209059706.db2.gz IKLVLFUMNZSNCU-LJQANCHMSA-N 1 0 381.495 4.799 40 0 GJABRO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccccc2F)cc1 ZINC000007538355 221001317 /nfs/dbraw/zinc/00/13/17/221001317.db2.gz CPGYIRYSKOIWFY-UHFFFAOYSA-N 1 0 381.447 4.712 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OCC)c1 ZINC000008253151 221032840 /nfs/dbraw/zinc/03/28/40/221032840.db2.gz BFXXXVRKEGODRY-UHFFFAOYSA-N 1 0 395.902 4.973 40 0 GJABRO O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000012116127 221152159 /nfs/dbraw/zinc/15/21/59/221152159.db2.gz FLOYVMOSBALPQG-HXUWFJFHSA-N 1 0 392.503 4.509 40 0 GJABRO Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)Cc1cc(=O)[nH]c2ccccc12 ZINC000012188446 221165529 /nfs/dbraw/zinc/16/55/29/221165529.db2.gz OXQRHQZKZBNSOO-UHFFFAOYSA-N 1 0 386.499 4.683 40 0 GJABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1csc(C(C)C)c1)Cc1ccccc1O2 ZINC000019452216 221414831 /nfs/dbraw/zinc/41/48/31/221414831.db2.gz BAQBHGMKEVXCMU-UHFFFAOYSA-N 1 0 398.572 4.807 40 0 GJABRO Cc1nn(-c2ccccc2)c2nc(Cl)c(C[NH2+]CCc3ccc(F)cc3)cc12 ZINC000257281045 209066268 /nfs/dbraw/zinc/06/62/68/209066268.db2.gz ONKGVJSZHZBSGJ-UHFFFAOYSA-N 1 0 394.881 4.854 40 0 GJABRO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718380 136153896 /nfs/dbraw/zinc/15/38/96/136153896.db2.gz JYNXUVWLFSXVJX-IRXDYDNUSA-N 1 0 391.515 4.631 40 0 GJABRO CC(=O)N1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)[N@@H+]2Cc1ccc2ncccc2c1 ZINC000257331769 209077156 /nfs/dbraw/zinc/07/71/56/209077156.db2.gz XUEZCQXMPBAUSV-KKUQBAQOSA-N 1 0 399.538 4.951 40 0 GJABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000040373321 221919641 /nfs/dbraw/zinc/91/96/41/221919641.db2.gz NBPAVBNJGSSYQA-HXUWFJFHSA-N 1 0 377.569 4.609 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072348593 222235328 /nfs/dbraw/zinc/23/53/28/222235328.db2.gz JVRWDWCFDVPKIR-QFIPXVFZSA-N 1 0 388.511 4.629 40 0 GJABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000072369951 222240874 /nfs/dbraw/zinc/24/08/74/222240874.db2.gz MBGQNXMQJQTBGM-OAHLLOKOSA-N 1 0 391.368 4.884 40 0 GJABRO Cc1nc2c(C)cccn2c1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375783 222242180 /nfs/dbraw/zinc/24/21/80/222242180.db2.gz FTHPUQPFDLMZEB-HXUWFJFHSA-N 1 0 398.514 4.822 40 0 GJABRO COc1cc(C)ccc1CN1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372693 222242482 /nfs/dbraw/zinc/24/24/82/222242482.db2.gz NNFIVAHGTZFMEZ-NRFANRHFSA-N 1 0 389.503 4.578 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC(C)C)c4ccccc43)CC2)s1 ZINC000096052620 222374733 /nfs/dbraw/zinc/37/47/33/222374733.db2.gz KDRXRHBHXVSHLU-LJQANCHMSA-N 1 0 396.600 4.992 40 0 GJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NC1CCC1 ZINC000096052741 222375439 /nfs/dbraw/zinc/37/54/39/222375439.db2.gz CFRZHKQZWVJJEX-GOSISDBHSA-N 1 0 394.584 4.828 40 0 GJABRO O=C(c1ccccc1-c1ccccc1)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408606591 534747195 /nfs/dbraw/zinc/74/71/95/534747195.db2.gz IVXMRAYXBKEWJU-QHCPKHFHSA-N 1 0 382.507 4.626 40 0 GJABRO CC(C)(C)c1ccc(C(=O)N2CCC[C@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408608969 526762388 /nfs/dbraw/zinc/76/23/88/526762388.db2.gz NGSLUAZTRAEQJZ-QHCPKHFHSA-N 1 0 376.544 4.647 40 0 GJABRO COc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000035446693 560079511 /nfs/dbraw/zinc/07/95/11/560079511.db2.gz AKQAEKYPGHBDNS-AWEZNQCLSA-N 1 0 375.394 4.580 40 0 biogenic,in-vitro GJABRO Clc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169736 560084153 /nfs/dbraw/zinc/08/41/53/560084153.db2.gz HOTNVPGVFJKFOD-INIZCTEOSA-N 1 0 392.890 4.785 40 0 biogenic,in-vitro GJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)cc1OC ZINC000005158151 570245109 /nfs/dbraw/zinc/24/51/09/570245109.db2.gz FKRPXPXSMAVQSM-OYDLWJJNSA-N 1 0 399.506 4.711 40 0 GJABRO COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076389 570320813 /nfs/dbraw/zinc/32/08/13/570320813.db2.gz SXHDONGRNUFPEX-AOMKIAJQSA-N 1 0 383.513 4.547 40 0 GJABRO O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044932901 570322462 /nfs/dbraw/zinc/32/24/62/570322462.db2.gz FSDONOWWWAUSTK-SIKLNZKXSA-N 1 0 382.935 4.746 40 0 GJABRO COc1cc2c(cc1OC)[C@@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000003847482 570352034 /nfs/dbraw/zinc/35/20/34/570352034.db2.gz UABRBWMZIRBFFZ-HSZRJFAPSA-N 1 0 389.495 4.712 40 0 GJABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035289196 570453061 /nfs/dbraw/zinc/45/30/61/570453061.db2.gz MFEZQZGVFAWMQQ-SEJPIABJSA-N 1 0 379.573 4.867 40 0 GJABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035311818 570467197 /nfs/dbraw/zinc/46/71/97/570467197.db2.gz MNOXHWFDLVMUCP-FRIKZZABSA-N 1 0 379.573 4.867 40 0 GJABRO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000223786105 570484797 /nfs/dbraw/zinc/48/47/97/570484797.db2.gz MBYCPLXPLXCMNX-UHFFFAOYSA-N 1 0 394.559 4.851 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000223917578 570490053 /nfs/dbraw/zinc/49/00/53/570490053.db2.gz RNUBLTGWVAXDKE-MRXNPFEDSA-N 1 0 390.449 4.867 40 0 GJABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000224533401 570516757 /nfs/dbraw/zinc/51/67/57/570516757.db2.gz QJAZGRUJADBKNS-QGZVFWFLSA-N 1 0 384.951 4.992 40 0 GJABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000224536163 570517292 /nfs/dbraw/zinc/51/72/92/570517292.db2.gz UJLNGXAZACXHNI-UHFFFAOYSA-N 1 0 394.559 4.800 40 0 GJABRO CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697272 570525294 /nfs/dbraw/zinc/52/52/94/570525294.db2.gz DVCFOSLQSLKKLU-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224697343 570525434 /nfs/dbraw/zinc/52/54/34/570525434.db2.gz JASBDBVWMKREQH-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000008373854 570530170 /nfs/dbraw/zinc/53/01/70/570530170.db2.gz QBXVXQDPJDHDAI-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000225412862 570571558 /nfs/dbraw/zinc/57/15/58/570571558.db2.gz BXCQTOJTKKQVJU-DYESRHJHSA-N 1 0 384.951 4.992 40 0 GJABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000225503381 570581052 /nfs/dbraw/zinc/58/10/52/570581052.db2.gz JCRMXFDJAYFVPO-UHFFFAOYSA-N 1 0 378.516 4.612 40 0 GJABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCC2)c1 ZINC000225510025 570581979 /nfs/dbraw/zinc/58/19/79/570581979.db2.gz RUZRQQVKOHTOCP-UHFFFAOYSA-N 1 0 380.532 4.776 40 0 GJABRO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038834712 570586409 /nfs/dbraw/zinc/58/64/09/570586409.db2.gz KJJBFAITBKZXBC-HNNXBMFYSA-N 1 0 380.385 4.695 40 0 GJABRO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038835501 570586634 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CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(OC)c(C)c1 ZINC000225879562 570629937 /nfs/dbraw/zinc/62/99/37/570629937.db2.gz SGYAPNBGNVAISH-QFIPXVFZSA-N 1 0 380.532 4.871 40 0 GJABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012292153 570633355 /nfs/dbraw/zinc/63/33/55/570633355.db2.gz JFZDDZLIKOZMOM-XMMPIXPASA-N 1 0 391.486 4.510 40 0 GJABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875349 570637714 /nfs/dbraw/zinc/63/77/14/570637714.db2.gz FBCBABDFTLUMLK-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000004857231 570638483 /nfs/dbraw/zinc/63/84/83/570638483.db2.gz ZNKVDBASFUVEAO-FRIKZZABSA-N 1 0 379.573 4.867 40 0 GJABRO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000004883088 570642545 /nfs/dbraw/zinc/64/25/45/570642545.db2.gz VRTWXMPXKIDZJL-FRIKZZABSA-N 1 0 381.495 4.841 40 0 GJABRO CC(C)Oc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044916227 570642988 /nfs/dbraw/zinc/64/29/88/570642988.db2.gz HJTJUQANTRZYKT-UHFFFAOYSA-N 1 0 394.559 4.822 40 0 GJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(C)c1 ZINC000044912183 570642993 /nfs/dbraw/zinc/64/29/93/570642993.db2.gz SYCNIJMTJFDJSK-UHFFFAOYSA-N 1 0 394.515 4.800 40 0 GJABRO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000005625879 570665332 /nfs/dbraw/zinc/66/53/32/570665332.db2.gz DIQPSCCLHCRPMM-UHFFFAOYSA-N 1 0 396.922 4.651 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812303 570707199 /nfs/dbraw/zinc/70/71/99/570707199.db2.gz ADCBJVWJXQDTNH-XXBNENTESA-N 1 0 390.568 4.720 40 0 GJABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812464 570707334 /nfs/dbraw/zinc/70/73/34/570707334.db2.gz BZNMRHAHOPRWJI-CVDCTZTESA-N 1 0 390.568 4.577 40 0 GJABRO CC1CC[NH+](CCCNC(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000013647946 570766405 /nfs/dbraw/zinc/76/64/05/570766405.db2.gz FJPWGGSCGHVOSF-UHFFFAOYSA-N 1 0 382.573 4.831 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136427 570776865 /nfs/dbraw/zinc/77/68/65/570776865.db2.gz UYYRGUHHPKHWTR-LJQANCHMSA-N 1 0 390.449 4.576 40 0 GJABRO O=C1C[C@H]2[C@H](CC[N@@H+]2CC2CCCCC2)N1Cc1c(Cl)cccc1Cl ZINC000585109065 570941046 /nfs/dbraw/zinc/94/10/46/570941046.db2.gz RRKCPYIDRQMDBP-OALUTQOASA-N 1 0 381.347 4.749 40 0 GJABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)Cc3ccc(C)s3)CC2)C1 ZINC000019217140 570961841 /nfs/dbraw/zinc/96/18/41/570961841.db2.gz FGQALUNDVPEWBU-UHFFFAOYSA-N 1 0 398.572 4.611 40 0 GJABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1OC ZINC000019454150 570986607 /nfs/dbraw/zinc/98/66/07/570986607.db2.gz LQAOHYIBEYHTOU-ZZTDLJEGSA-N 1 0 395.547 4.679 40 0 GJABRO COc1cc(C)c(C[NH+]2CCC(c3ccc(-c4cn[nH]c4)cn3)CC2)c(C)c1C ZINC000585176609 570999256 /nfs/dbraw/zinc/99/92/56/570999256.db2.gz UNQHDMHPVWWKJT-UHFFFAOYSA-N 1 0 390.531 4.785 40 0 GJABRO COc1ccccc1C[NH+]1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 ZINC000019565074 571007422 /nfs/dbraw/zinc/00/74/22/571007422.db2.gz MSVQYYSTJRKBCD-UHFFFAOYSA-N 1 0 387.430 4.857 40 0 GJABRO CC[C@@H](C[NH+]1CCCCC1)n1cncc1-c1cnn(Cc2ccccc2)c1C ZINC000019654430 571022842 /nfs/dbraw/zinc/02/28/42/571022842.db2.gz XLLWPQGSENBLAU-NRFANRHFSA-N 1 0 377.536 4.540 40 0 GJABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225715767 222692384 /nfs/dbraw/zinc/69/23/84/222692384.db2.gz JACAQXOYTCEJSS-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328981622 212091878 /nfs/dbraw/zinc/09/18/78/212091878.db2.gz GUVWSBXXHWAFMW-UHFFFAOYSA-N 1 0 394.563 4.574 40 0 GJABRO O[C@@H](C[C@@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568070 206385446 /nfs/dbraw/zinc/38/54/46/206385446.db2.gz YZLLVZLRDRSNKO-HZMBPMFUSA-N 1 0 392.343 4.838 40 0 GJABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000004413595 206520424 /nfs/dbraw/zinc/52/04/24/206520424.db2.gz LNJVCQUMTVGPDZ-UHFFFAOYSA-N 1 0 386.854 4.752 40 0 GJABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740434 207077295 /nfs/dbraw/zinc/07/72/95/207077295.db2.gz PAQFOXWZZIFJAB-GOSISDBHSA-N 1 0 390.531 4.537 40 0 GJABRO CC(C)n1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c2ccccc21 ZINC000019454798 207124099 /nfs/dbraw/zinc/12/40/99/207124099.db2.gz FMILMRXZAGAZQI-KEVCNVLYSA-N 1 0 389.543 4.737 40 0 GJABRO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)c(C)n1 ZINC000019524547 207128386 /nfs/dbraw/zinc/12/83/86/207128386.db2.gz VUISWQKNKXDMJL-QFIPXVFZSA-N 1 0 394.519 4.992 40 0 GJABRO COc1cccc(C[NH+]2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565044 207136387 /nfs/dbraw/zinc/13/63/87/207136387.db2.gz STGCGYVWPIZCSV-UHFFFAOYSA-N 1 0 387.430 4.857 40 0 GJABRO Cc1noc2nc(C3CC[NH+](Cc4ccccc4F)CC3)cc(C(F)F)c12 ZINC000019565068 207136426 /nfs/dbraw/zinc/13/64/26/207136426.db2.gz IXOBZWSUEBGPBX-UHFFFAOYSA-N 1 0 375.394 4.988 40 0 GJABRO CCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC ZINC000019531791 207131466 /nfs/dbraw/zinc/13/14/66/207131466.db2.gz SMDFUIRWMAZQNF-SVGJNIJCSA-N 1 0 399.506 4.556 40 0 GJABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c(C)n1 ZINC000019691982 207148589 /nfs/dbraw/zinc/14/85/89/207148589.db2.gz KWUXIIVTDNNZMT-XMMPIXPASA-N 1 0 392.522 4.982 40 0 GJABRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1 ZINC000022075174 207245807 /nfs/dbraw/zinc/24/58/07/207245807.db2.gz NBTSOSDJMLMEDT-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO Cc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022913629 207263280 /nfs/dbraw/zinc/26/32/80/207263280.db2.gz RPDPJEVBBBNHBL-UHFFFAOYSA-N 1 0 398.550 4.916 40 0 GJABRO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938705 207377956 /nfs/dbraw/zinc/37/79/56/207377956.db2.gz OKEOLCWRQWFMRF-AWEZNQCLSA-N 1 0 381.278 4.983 40 0 GJABRO CC(C)Oc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000030940313 207378470 /nfs/dbraw/zinc/37/84/70/207378470.db2.gz AHUZJSCLJCATHV-SFHVURJKSA-N 1 0 386.923 4.978 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072358223 208002907 /nfs/dbraw/zinc/00/29/07/208002907.db2.gz KKNPCWBTDVCFMD-QFIPXVFZSA-N 1 0 376.479 4.585 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359409 208003146 /nfs/dbraw/zinc/00/31/46/208003146.db2.gz SJVQDJJZMCHRCP-SFHVURJKSA-N 1 0 398.432 4.937 40 0 GJABRO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379080 208011003 /nfs/dbraw/zinc/01/10/03/208011003.db2.gz MZYSYGWIESMKIX-IBGZPJMESA-N 1 0 378.495 4.909 40 0 GJABRO c1coc(C[NH2+][C@@H]2CC3(CCN(Cc4nccs4)CC3)c3ccccc32)c1 ZINC000096079059 208261932 /nfs/dbraw/zinc/26/19/32/208261932.db2.gz PZDGVHBAGBEZJN-HXUWFJFHSA-N 1 0 379.529 4.505 40 0 GJABRO Cc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3cccc(F)c3)n2)cc1 ZINC000004214833 208539491 /nfs/dbraw/zinc/53/94/91/208539491.db2.gz RMTMFLQMYBBARV-UHFFFAOYSA-N 1 0 397.519 4.856 40 0 GJABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225702867 208969353 /nfs/dbraw/zinc/96/93/53/208969353.db2.gz LAHMCZMXEHNJKI-QFIPXVFZSA-N 1 0 378.557 4.721 40 0 GJABRO C[NH+](C)CCCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn21 ZINC000004980568 220805311 /nfs/dbraw/zinc/80/53/11/220805311.db2.gz DGZNIXGYVXEUIZ-UHFFFAOYSA-N 1 0 389.478 4.566 40 0 GJABRO Cn1cc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccnc4ccccc34)cn2)cn1 ZINC000257207091 209055156 /nfs/dbraw/zinc/05/51/56/209055156.db2.gz BGHBNJOQLQIAIC-DEOSSOPVSA-N 1 0 383.499 4.758 40 0 GJABRO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3cncs3)CC1)O2 ZINC000257247635 209059898 /nfs/dbraw/zinc/05/98/98/209059898.db2.gz IZWMIUOSADFSIR-PKOBYXMFSA-N 1 0 390.936 4.691 40 0 GJABRO Cc1nc(-c2ccccc2)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000012238197 221171497 /nfs/dbraw/zinc/17/14/97/221171497.db2.gz FOSKAZREFDFIQF-FQEVSTJZSA-N 1 0 397.588 4.528 40 0 GJABRO CC(C)C[NH+]1CCC(Cc2cccc(-c3ccncc3)c2)(C(=O)NC(C)C)CC1 ZINC000257309134 209073478 /nfs/dbraw/zinc/07/34/78/209073478.db2.gz TZRUDYQXBQPISX-UHFFFAOYSA-N 1 0 393.575 4.554 40 0 GJABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353198 222237729 /nfs/dbraw/zinc/23/77/29/222237729.db2.gz YIDIBYUEDGTZRQ-JOCHJYFZSA-N 1 0 390.535 4.952 40 0 GJABRO Cc1nn(C)cc1C[N@@H+]1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000072370033 222240698 /nfs/dbraw/zinc/24/06/98/222240698.db2.gz YBLLKULAZVMDPK-QHCPKHFHSA-N 1 0 378.495 4.965 40 0 GJABRO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371235 222243026 /nfs/dbraw/zinc/24/30/26/222243026.db2.gz JFBUGPFOWRYSND-IBGZPJMESA-N 1 0 395.934 4.717 40 0 GJABRO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380370 222243693 /nfs/dbraw/zinc/24/36/93/222243693.db2.gz OZSFXZHPZNGIJS-HSZRJFAPSA-N 1 0 384.483 4.971 40 0 GJABRO COc1ccc2cc(CNc3ccc([NH+]4CCCCCC4)cc3)c(=O)[nH]c2c1 ZINC000072396139 222252463 /nfs/dbraw/zinc/25/24/63/222252463.db2.gz AEJLCDQAALCVQM-UHFFFAOYSA-N 1 0 377.488 4.529 40 0 GJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096053037 222374528 /nfs/dbraw/zinc/37/45/28/222374528.db2.gz XLDQLNFOOOWJOG-HXUWFJFHSA-N 1 0 394.559 4.868 40 0 GJABRO CC(C)(C)c1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408610694 526762578 /nfs/dbraw/zinc/76/25/78/526762578.db2.gz RKVVPJXGJOXQKK-UHFFFAOYSA-N 1 0 376.544 4.647 40 0 GJABRO CCCCOc1ccc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609810 528658882 /nfs/dbraw/zinc/65/88/82/528658882.db2.gz OWWHEJWSKNROEL-HSZRJFAPSA-N 1 0 392.543 4.528 40 0 GJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253055 570251791 /nfs/dbraw/zinc/25/17/91/570251791.db2.gz FAACTDGNFHHGQS-NHTMILBNSA-N 1 0 399.506 4.711 40 0 GJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020450314 570256854 /nfs/dbraw/zinc/25/68/54/570256854.db2.gz WCHKNYQSWQMNRM-KRWDZBQOSA-N 1 0 394.515 4.656 40 0 GJABRO Cc1ccc(CSCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020454983 570258759 /nfs/dbraw/zinc/25/87/59/570258759.db2.gz CJWCYDCFISIUDC-HXUWFJFHSA-N 1 0 396.600 4.890 40 0 GJABRO CCN1c2ccccc2C[C@](CC[NH+](C(C)C)C(C)C)(C(N)=O)c2ccccc21 ZINC000001565845 570265038 /nfs/dbraw/zinc/26/50/38/570265038.db2.gz DANNGFZWNDZQKW-VWLOTQADSA-N 1 0 393.575 4.633 40 0 GJABRO C[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569770 570268522 /nfs/dbraw/zinc/26/85/22/570268522.db2.gz UWADVROSAKPYEC-AGILITTLSA-N 1 0 382.592 4.758 40 0 GJABRO C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1cccn1Cc1ccccc1F ZINC000057739988 570368549 /nfs/dbraw/zinc/36/85/49/570368549.db2.gz AFPHXFYNMSQOMW-LJQANCHMSA-N 1 0 395.497 4.521 40 0 GJABRO CC[NH+](CC)CCCNc1c(C)c(C)nc2cc(-c3ccc(Cl)cc3)nn21 ZINC000004980187 570421193 /nfs/dbraw/zinc/42/11/93/570421193.db2.gz REEUMBDFHUNRQP-UHFFFAOYSA-N 1 0 385.943 4.810 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000039750078 570447265 /nfs/dbraw/zinc/44/72/65/570447265.db2.gz BHZUDYIOJPPQCV-UHFFFAOYSA-N 1 0 376.422 4.865 40 0 GJABRO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039757238 570448311 /nfs/dbraw/zinc/44/83/11/570448311.db2.gz JPGFMKZSVFVEJQ-UHFFFAOYSA-N 1 0 377.315 4.522 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCC2 ZINC000223224444 570451189 /nfs/dbraw/zinc/45/11/89/570451189.db2.gz IJZRZERWVIMHCA-KRWDZBQOSA-N 1 0 396.962 4.918 40 0 GJABRO C[NH+](C)CCCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000244422273 570458411 /nfs/dbraw/zinc/45/84/11/570458411.db2.gz YUFWIOBRQNGJBT-UHFFFAOYSA-N 1 0 395.938 4.773 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000223606701 570474217 /nfs/dbraw/zinc/47/42/17/570474217.db2.gz YVFRCMXVYRDPJY-UHFFFAOYSA-N 1 0 378.560 4.648 40 0 GJABRO Cc1cc(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl ZINC000257219580 570487078 /nfs/dbraw/zinc/48/70/78/570487078.db2.gz DHHXERCDPWTJRH-HSZRJFAPSA-N 1 0 398.934 4.844 40 0 GJABRO COC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257300985 570488666 /nfs/dbraw/zinc/48/86/66/570488666.db2.gz RWLIHUVXNLGCRA-UHFFFAOYSA-N 1 0 384.907 4.881 40 0 GJABRO Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000224175594 570502261 /nfs/dbraw/zinc/50/22/61/570502261.db2.gz HPLPLHUUUZCDMP-UHFFFAOYSA-N 1 0 396.531 4.609 40 0 GJABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1OCC(=O)NC(C)(C)C ZINC000007520898 570506550 /nfs/dbraw/zinc/50/65/50/570506550.db2.gz NDSXTONFEVXMRM-UHFFFAOYSA-N 1 0 392.584 4.683 40 0 GJABRO COc1ccc(C[NH2+]Cc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 ZINC000007538565 570507765 /nfs/dbraw/zinc/50/77/65/570507765.db2.gz SGDBJISZKCOTQL-UHFFFAOYSA-N 1 0 377.484 4.881 40 0 GJABRO CCOCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008253169 570525704 /nfs/dbraw/zinc/52/57/04/570525704.db2.gz DIKBTRXIJKAXOJ-UHFFFAOYSA-N 1 0 381.875 4.583 40 0 GJABRO O=C(CCSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430075 570531625 /nfs/dbraw/zinc/53/16/25/570531625.db2.gz TXHATYUKHHRCAU-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 ZINC000008471584 570531888 /nfs/dbraw/zinc/53/18/88/570531888.db2.gz ZNGCRTSHGDIZGY-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837192 570533268 /nfs/dbraw/zinc/53/32/68/570533268.db2.gz FCYRRCPHDBQUHF-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO O=C(CCSCc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224831888 570533374 /nfs/dbraw/zinc/53/33/74/570533374.db2.gz FEARNFNRDKGQOA-UHFFFAOYSA-N 1 0 382.573 4.612 40 0 GJABRO O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224872820 570535585 /nfs/dbraw/zinc/53/55/85/570535585.db2.gz CIGQJPIKMDEMAU-UHFFFAOYSA-N 1 0 378.394 4.823 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 ZINC000224968569 570540521 /nfs/dbraw/zinc/54/05/21/570540521.db2.gz KLXNKISRNOPQOR-UHFFFAOYSA-N 1 0 391.559 4.836 40 0 GJABRO CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225222569 570557460 /nfs/dbraw/zinc/55/74/60/570557460.db2.gz ZYNJFFAVHCAEFF-HXUWFJFHSA-N 1 0 378.560 4.916 40 0 GJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc(C(F)(F)F)c2)o1 ZINC000036740246 570568793 /nfs/dbraw/zinc/56/87/93/570568793.db2.gz XSFAZTHSUFQQHK-UHFFFAOYSA-N 1 0 377.410 4.896 40 0 GJABRO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038860395 570589095 /nfs/dbraw/zinc/58/90/95/570589095.db2.gz OXPWPZHWLXTOPB-OAHLLOKOSA-N 1 0 380.385 4.695 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225619404 570595284 /nfs/dbraw/zinc/59/52/84/570595284.db2.gz FXFJOGWUNABMSE-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225699178 570605495 /nfs/dbraw/zinc/60/54/95/570605495.db2.gz MYCDEBUDJMHQMK-WMZHIEFXSA-N 1 0 390.568 4.864 40 0 GJABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225703002 570606065 /nfs/dbraw/zinc/60/60/65/570606065.db2.gz QVCYSODXJMAESH-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ncoc1-c1ccccc1F ZINC000012115143 570610535 /nfs/dbraw/zinc/61/05/35/570610535.db2.gz QIZOAYXDKGESSC-UHFFFAOYSA-N 1 0 379.435 4.719 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000225817658 570621200 /nfs/dbraw/zinc/62/12/00/570621200.db2.gz PNCMNVKGGJHODW-FQEVSTJZSA-N 1 0 384.951 4.690 40 0 GJABRO CCCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC ZINC000012238107 570629552 /nfs/dbraw/zinc/62/95/52/570629552.db2.gz MMLGORPRSIBPGY-SVGJNIJCSA-N 1 0 399.506 4.638 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(C)cc1C ZINC000044856685 570636963 /nfs/dbraw/zinc/63/69/63/570636963.db2.gz RXFMSNFIFSEEHE-QHCPKHFHSA-N 1 0 382.523 4.922 40 0 GJABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000004857265 570638468 /nfs/dbraw/zinc/63/84/68/570638468.db2.gz SZKFQMLYXCHMDH-YQQQUEKLSA-N 1 0 383.561 4.769 40 0 GJABRO O=C(Nc1ccc(F)cc1F)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004882351 570642251 /nfs/dbraw/zinc/64/22/51/570642251.db2.gz BMANXMJEXVVXFP-YQQQUEKLSA-N 1 0 385.458 4.672 40 0 GJABRO CC(C)C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936780 570644272 /nfs/dbraw/zinc/64/42/72/570644272.db2.gz HQUZGCIFWTXAGL-FYYLOGMGSA-N 1 0 382.523 4.941 40 0 GJABRO CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000034650426 570647700 /nfs/dbraw/zinc/64/77/00/570647700.db2.gz SDQNQTAIUAGGQL-RFXJPFPRSA-N 1 0 383.576 4.859 40 0 GJABRO O=C(c1ncoc1-c1ccc2ccccc2c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000005002081 570652145 /nfs/dbraw/zinc/65/21/45/570652145.db2.gz RSGYTKBJVSOXAN-UHFFFAOYSA-N 1 0 389.499 4.585 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814480 570707684 /nfs/dbraw/zinc/70/76/84/570707684.db2.gz JJYISHUFBGRJHJ-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816779 570708291 /nfs/dbraw/zinc/70/82/91/570708291.db2.gz QFZTUPYGHLVHMF-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO CC1(C)[C@H](OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)[C@]2(C)CC[C@H]1C2 ZINC000253479626 570741945 /nfs/dbraw/zinc/74/19/45/570741945.db2.gz RLOYQHMWSVMPSX-ONTNHIFESA-N 1 0 385.592 4.533 40 0 GJABRO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccccc1F ZINC000008254129 570765903 /nfs/dbraw/zinc/76/59/03/570765903.db2.gz FLONZCSIQGLEQD-UHFFFAOYSA-N 1 0 394.284 4.818 40 0 GJABRO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000013673392 570771328 /nfs/dbraw/zinc/77/13/28/570771328.db2.gz WKILMXLQDSHLIU-LJQANCHMSA-N 1 0 382.507 4.836 40 0 GJABRO Fc1ccccc1OCC[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257285152 570775931 /nfs/dbraw/zinc/77/59/31/570775931.db2.gz PFWJTLPORNEGRK-UHFFFAOYSA-N 1 0 392.478 4.618 40 0 GJABRO FC(F)(F)c1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000019330816 570975027 /nfs/dbraw/zinc/97/50/27/570975027.db2.gz LLTKCVFXIMGRBO-HNNXBMFYSA-N 1 0 399.420 4.768 40 0 GJABRO C(=C/c1nc2ccccc2nc1CC[NH+]1CCCCC1)\c1ccc2c(c1)OCO2 ZINC000004582055 570985638 /nfs/dbraw/zinc/98/56/38/570985638.db2.gz XYCLCYCLXNYJOP-CSKARUKUSA-N 1 0 387.483 4.557 40 0 GJABRO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000020503553 575370235 /nfs/dbraw/zinc/37/02/35/575370235.db2.gz NPDGUSAMLLYMFK-GHTZIAJQSA-N 1 0 396.490 4.881 40 0 biogenic,in-vitro GJABRO Cc1cccc(CSCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224695985 222661812 /nfs/dbraw/zinc/66/18/12/222661812.db2.gz GZJZFIMVNXXBQB-UHFFFAOYSA-N 1 0 382.573 4.531 40 0 GJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2c1[C@@H](c1ccccc1)C(C)(C)O2 ZINC000001708596 212253406 /nfs/dbraw/zinc/25/34/06/212253406.db2.gz PUPZSDCVJPVQTJ-YLJYHZDGSA-N 1 0 382.552 4.702 40 0 GJABRO CCOc1ccc([C@@](O)(CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615861 212250917 /nfs/dbraw/zinc/25/09/17/212250917.db2.gz YWXPOUZKRCMZLE-UXIGSVSMSA-N 1 0 379.544 4.833 40 0 GJABRO COc1ccccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439947 212117344 /nfs/dbraw/zinc/11/73/44/212117344.db2.gz BCVSTRYZAONCLL-JWQCQUIFSA-N 1 0 386.539 4.843 40 0 GJABRO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306143165 209108490 /nfs/dbraw/zinc/10/84/90/209108490.db2.gz XUYFRFXXMZJFQX-IBGZPJMESA-N 1 0 376.435 4.508 40 0 GJABRO COc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120460 207102743 /nfs/dbraw/zinc/10/27/43/207102743.db2.gz AJUDSRFLFFHJNG-XUZZJYLKSA-N 1 0 391.515 4.800 40 0 GJABRO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081704 207103322 /nfs/dbraw/zinc/10/33/22/207103322.db2.gz LRGFKSWVIAQCKE-GMAHTHKFSA-N 1 0 393.575 4.772 40 0 GJABRO CC(=O)Nc1ccc(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019216516 207107138 /nfs/dbraw/zinc/10/71/38/207107138.db2.gz AJLXRWINPJPNEL-UHFFFAOYSA-N 1 0 397.563 4.858 40 0 GJABRO CCc1oc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000019521350 207127627 /nfs/dbraw/zinc/12/76/27/207127627.db2.gz LPPVBSRKOXCTQO-QRQCMCJISA-N 1 0 376.500 4.510 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccsc4)C3)n2)c1 ZINC000072369974 208005445 /nfs/dbraw/zinc/00/54/45/208005445.db2.gz CANPQIBYXQVHND-AWEZNQCLSA-N 1 0 379.407 4.806 40 0 GJABRO c1csc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)c1 ZINC000096038315 208256717 /nfs/dbraw/zinc/25/67/17/208256717.db2.gz UNNISRPSBOOCHU-UHFFFAOYSA-N 1 0 389.528 4.914 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)C1=CC=C(OC)C3 ZINC000096316423 208306472 /nfs/dbraw/zinc/30/64/72/208306472.db2.gz WZTKOQWLQWUDKG-SQJMNOBHSA-N 1 0 389.495 4.846 40 0 biogenic,in-vitro GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222974287 208888542 /nfs/dbraw/zinc/88/85/42/208888542.db2.gz FMVZSZDWRNYMCN-LJQANCHMSA-N 1 0 376.544 4.655 40 0 GJABRO COc1ccc(-c2c[n+]3ccccc3n2-c2ccc(Br)cc2)cc1 ZINC000026507138 208901984 /nfs/dbraw/zinc/90/19/84/208901984.db2.gz CIFRRBLADNMZTR-UHFFFAOYSA-N 1 0 380.265 4.654 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225689273 208967337 /nfs/dbraw/zinc/96/73/37/208967337.db2.gz VGHLYEWTJXCLLL-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccccc3C)c(OC)c2)cc1 ZINC000007538575 221000969 /nfs/dbraw/zinc/00/09/69/221000969.db2.gz QGYFDKKKALJZIC-UHFFFAOYSA-N 1 0 377.484 4.881 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008326295 221037354 /nfs/dbraw/zinc/03/73/54/221037354.db2.gz RMTAQUJKUYAEJV-INIZCTEOSA-N 1 0 398.330 4.832 40 0 GJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000012328158 221182660 /nfs/dbraw/zinc/18/26/60/221182660.db2.gz NKAIMILGTOPRMA-UHFFFAOYSA-N 1 0 380.463 4.508 40 0 GJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044851481 221955663 /nfs/dbraw/zinc/95/56/63/221955663.db2.gz WMABQBTWJSVYBV-UHFFFAOYSA-N 1 0 394.559 4.824 40 0 GJABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)ccc3[nH]2)o1 ZINC000072346793 222233482 /nfs/dbraw/zinc/23/34/82/222233482.db2.gz DXTJZKYTAUIWFO-HXUWFJFHSA-N 1 0 394.519 4.674 40 0 GJABRO NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352454 222238543 /nfs/dbraw/zinc/23/85/43/222238543.db2.gz VEKXVWZOXNJZCY-QGZVFWFLSA-N 1 0 387.508 4.538 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359438 222240019 /nfs/dbraw/zinc/24/00/19/222240019.db2.gz MLRGLRIYRLWUGR-QGZVFWFLSA-N 1 0 398.432 4.937 40 0 GJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052611 222374911 /nfs/dbraw/zinc/37/49/11/222374911.db2.gz QGVIRXODUYUPKB-LJQANCHMSA-N 1 0 382.573 4.684 40 0 GJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096053030 222375225 /nfs/dbraw/zinc/37/52/25/222375225.db2.gz YWPODDQOLOMFPL-FQEVSTJZSA-N 1 0 380.532 4.559 40 0 GJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000096071320 222376935 /nfs/dbraw/zinc/37/69/35/222376935.db2.gz AJEBRTIJKUNDNG-HSZRJFAPSA-N 1 0 382.935 4.540 40 0 GJABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446797 560079193 /nfs/dbraw/zinc/07/91/93/560079193.db2.gz WHCMSCSWOHFNTR-AWEZNQCLSA-N 1 0 375.394 4.580 40 0 biogenic,in-vitro GJABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000049170578 560084491 /nfs/dbraw/zinc/08/44/91/560084491.db2.gz JKCOJVGGZTXHEY-AWEZNQCLSA-N 1 0 391.368 4.884 40 0 biogenic,in-vitro GJABRO CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329052654 570215317 /nfs/dbraw/zinc/21/53/17/570215317.db2.gz VDPULSQLGLZJNO-UHFFFAOYSA-N 1 0 392.934 4.850 40 0 GJABRO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)c1 ZINC000005217449 570250444 /nfs/dbraw/zinc/25/04/44/570250444.db2.gz NSRJWEIWAMQCKX-OYDLWJJNSA-N 1 0 399.506 4.711 40 0 GJABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000585290392 570258090 /nfs/dbraw/zinc/25/80/90/570258090.db2.gz VVCNQSSRGNJLJU-YTFSRNRJSA-N 1 0 385.935 4.880 40 0 GJABRO Cc1cccc(CSCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000022527870 570320567 /nfs/dbraw/zinc/32/05/67/570320567.db2.gz QBBJGUQVFILWSI-HXUWFJFHSA-N 1 0 396.600 4.890 40 0 GJABRO CC(C)C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936785 570322570 /nfs/dbraw/zinc/32/25/70/570322570.db2.gz HQUZGCIFWTXAGL-GMAHTHKFSA-N 1 0 382.523 4.941 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118923124 570368075 /nfs/dbraw/zinc/36/80/75/570368075.db2.gz JYBLPRVSUYUPPM-WJEZMIPNSA-N 1 0 385.592 4.878 40 0 GJABRO CC[NH+](CC)CCOc1ccc([C@](O)(Cc2ccccc2)c2ccccc2)cc1 ZINC000005311525 570433672 /nfs/dbraw/zinc/43/36/72/570433672.db2.gz ZHLXWJSSVXYFJC-SANMLTNESA-N 1 0 389.539 4.886 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224296 570451125 /nfs/dbraw/zinc/45/11/25/570451125.db2.gz LAMXOKFAYDJGHJ-KRWDZBQOSA-N 1 0 396.962 4.918 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000223224150 570451137 /nfs/dbraw/zinc/45/11/37/570451137.db2.gz MEFGYOBTHRPWEC-LJQANCHMSA-N 1 0 376.544 4.573 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2c(F)cccc2F)cc(-c2ccccc2)n1 ZINC000243087447 570457278 /nfs/dbraw/zinc/45/72/78/570457278.db2.gz IUIDAOVCIFKSKJ-UHFFFAOYSA-N 1 0 383.446 4.529 40 0 GJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2F)c(OC)c1 ZINC000002405714 570481538 /nfs/dbraw/zinc/48/15/38/570481538.db2.gz MVSZIESXWTZSRG-OYDLWJJNSA-N 1 0 399.506 4.711 40 0 GJABRO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030943674 570501326 /nfs/dbraw/zinc/50/13/26/570501326.db2.gz YOUPGUBFZYNQOW-GHTZIAJQSA-N 1 0 384.951 4.690 40 0 GJABRO Cc1cc(C)cc(CSCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224645268 570522273 /nfs/dbraw/zinc/52/22/73/570522273.db2.gz ZQFLGNXSBGIWGZ-UHFFFAOYSA-N 1 0 396.600 4.839 40 0 GJABRO Cc1ccc(S[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224646740 570522403 /nfs/dbraw/zinc/52/24/03/570522403.db2.gz QLLIBJGFBGCLIC-LJQANCHMSA-N 1 0 382.573 4.778 40 0 GJABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008326310 570528320 /nfs/dbraw/zinc/52/83/20/570528320.db2.gz QUTCLDQQGRXFRC-KRWDZBQOSA-N 1 0 398.728 4.542 40 0 GJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224782778 570530392 /nfs/dbraw/zinc/53/03/92/570530392.db2.gz BFTFUPYCNIWLQG-LJQANCHMSA-N 1 0 388.511 4.519 40 0 GJABRO O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224804661 570531881 /nfs/dbraw/zinc/53/18/81/570531881.db2.gz AWUFSNRYYOAGJR-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000224804593 570531895 /nfs/dbraw/zinc/53/18/95/570531895.db2.gz YCLIJSOZZZORSS-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccccc2F)cc1OC ZINC000008493675 570532784 /nfs/dbraw/zinc/53/27/84/570532784.db2.gz HSLPVXHZGZUFEF-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO CC1(C)CC(N(Cc2cccnc2)Cc2ccc3ncccc3c2)CC(C)(C)[NH2+]1 ZINC000036740530 570569538 /nfs/dbraw/zinc/56/95/38/570569538.db2.gz DVEKBRNPANBVDA-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000038834025 570585612 /nfs/dbraw/zinc/58/56/12/570585612.db2.gz FULQJJMSKPKCFL-OAHLLOKOSA-N 1 0 387.321 4.933 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225688749 570603453 /nfs/dbraw/zinc/60/34/53/570603453.db2.gz BYKHCSXHBFITSH-XXBNENTESA-N 1 0 390.568 4.577 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225693501 570604247 /nfs/dbraw/zinc/60/42/47/570604247.db2.gz YFWBUUGCLCQBOF-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225699060 570604967 /nfs/dbraw/zinc/60/49/67/570604967.db2.gz NAZBPFAYDNGPBQ-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225703634 570606004 /nfs/dbraw/zinc/60/60/04/570606004.db2.gz QOGHIIAQBOBDDN-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCn1ncc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012186557 570620870 /nfs/dbraw/zinc/62/08/70/570620870.db2.gz GYZNHWKFNFHVRK-UHFFFAOYSA-N 1 0 386.559 4.662 40 0 GJABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872164 570637229 /nfs/dbraw/zinc/63/72/29/570637229.db2.gz OLBNJFSRSRAHPA-IBGZPJMESA-N 1 0 394.559 4.664 40 0 GJABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1C ZINC000044856651 570637311 /nfs/dbraw/zinc/63/73/11/570637311.db2.gz JZENEUNVXLQDIP-OFNKIYASSA-N 1 0 382.523 4.922 40 0 GJABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875346 570637625 /nfs/dbraw/zinc/63/76/25/570637625.db2.gz FBCBABDFTLUMLK-QHCPKHFHSA-N 1 0 394.559 4.763 40 0 GJABRO O=C(Nc1ccc(OC2CCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044917219 570643437 /nfs/dbraw/zinc/64/34/37/570643437.db2.gz GYXIAQSILSDDIE-UHFFFAOYSA-N 1 0 396.506 4.998 40 0 GJABRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1 ZINC000008253321 570765821 /nfs/dbraw/zinc/76/58/21/570765821.db2.gz NFUYFULPKVKBTE-UHFFFAOYSA-N 1 0 399.126 4.900 40 0 GJABRO Cc1cccnc1Nc1cncc(C2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000257259853 570771533 /nfs/dbraw/zinc/77/15/33/570771533.db2.gz LAICIYZMEMBQCL-UHFFFAOYSA-N 1 0 393.922 4.957 40 0 GJABRO CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000257334589 570783490 /nfs/dbraw/zinc/78/34/90/570783490.db2.gz YGPAMDYWRDSURG-UHFFFAOYSA-N 1 0 394.559 4.996 40 0 GJABRO C[N@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586150 571015762 /nfs/dbraw/zinc/01/57/62/571015762.db2.gz WDVCJFZGMIFMRZ-IBGZPJMESA-N 1 0 385.895 4.579 40 0 GJABRO Nc1ccc(-c2ccc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)nc2)cn1 ZINC000019689076 571028742 /nfs/dbraw/zinc/02/87/42/571028742.db2.gz GGZDGLZDKCYBPS-UHFFFAOYSA-N 1 0 395.510 4.654 40 0 GJABRO O[C@@H](c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12)[C@H]1CCCC[NH2+]1 ZINC000001572960 212250155 /nfs/dbraw/zinc/25/01/55/212250155.db2.gz GBOMJGJESBMUBL-DOMZBBRYSA-N 1 0 379.209 4.736 40 0 in-vitro GJABRO COc1cc2c(cc1OC)[C@H](Cc1ccc(OCc3ccccc3)cc1)[NH2+]CC2 ZINC000003847481 206494948 /nfs/dbraw/zinc/49/49/48/206494948.db2.gz UABRBWMZIRBFFZ-QHCPKHFHSA-N 1 0 389.495 4.712 40 0 GJABRO C(=C\c1nc2ccccc2nc1CC[NH+]1CCCCC1)\c1ccc2c(c1)OCO2 ZINC000017146725 207085926 /nfs/dbraw/zinc/08/59/26/207085926.db2.gz XYCLCYCLXNYJOP-NTMALXAHSA-N 1 0 387.483 4.557 40 0 GJABRO Cc1cccc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)n1 ZINC000019236175 207109787 /nfs/dbraw/zinc/10/97/87/207109787.db2.gz LZHHKSZCVADSAI-UHFFFAOYSA-N 1 0 390.409 4.633 40 0 GJABRO FC(F)(F)c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000019332591 207116678 /nfs/dbraw/zinc/11/66/78/207116678.db2.gz IUVRKANPQLYVDC-HNNXBMFYSA-N 1 0 399.420 4.768 40 0 GJABRO O=C(N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400891 207120096 /nfs/dbraw/zinc/12/00/96/207120096.db2.gz ZXIGFMHJUXKYEJ-FYYLOGMGSA-N 1 0 395.522 4.623 40 0 GJABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000019569269 207136042 /nfs/dbraw/zinc/13/60/42/207136042.db2.gz MAIXQQXKSZFBRY-UHFFFAOYSA-N 1 0 381.516 4.500 40 0 GJABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019568926 207136650 /nfs/dbraw/zinc/13/66/50/207136650.db2.gz VZPIWNOSGGDOGE-GFCCVEGCSA-N 1 0 381.423 4.991 40 0 GJABRO C[NH+]1CCC2(CC1)CN(Cc1ccccc1C(F)(F)F)Cc1ccccc1O2 ZINC000019588430 207140867 /nfs/dbraw/zinc/14/08/67/207140867.db2.gz QHWUOTCZCBKVSR-UHFFFAOYSA-N 1 0 390.449 4.564 40 0 GJABRO COCCC[N@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccncc1 ZINC000019593289 207143884 /nfs/dbraw/zinc/14/38/84/207143884.db2.gz CSZCHPBRWGQHMV-UHFFFAOYSA-N 1 0 378.520 4.654 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)CC1 ZINC000044918608 207644117 /nfs/dbraw/zinc/64/41/17/207644117.db2.gz BTRYEOPZMYGFHE-JOCHJYFZSA-N 1 0 392.543 4.951 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cnn1C ZINC000072353976 208000575 /nfs/dbraw/zinc/00/05/75/208000575.db2.gz WXWVXNQGSIKMFN-OAQYLSRUSA-N 1 0 392.522 4.541 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358397 208002989 /nfs/dbraw/zinc/00/29/89/208002989.db2.gz QCKWRKHNOORXMN-LJQANCHMSA-N 1 0 377.463 4.671 40 0 GJABRO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000096244928 208295137 /nfs/dbraw/zinc/29/51/37/208295137.db2.gz VGBVRAUDLWKVSQ-RDGATRHJSA-N 1 0 397.522 4.667 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225619562 208963387 /nfs/dbraw/zinc/96/33/87/208963387.db2.gz JWNLVBXRLZPCCT-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225607468 208963443 /nfs/dbraw/zinc/96/34/43/208963443.db2.gz KNKNMKHCVSYEPN-HSZRJFAPSA-N 1 0 390.568 4.577 40 0 GJABRO Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006009206 220912036 /nfs/dbraw/zinc/91/20/36/220912036.db2.gz UKFZRHVJMLZHMW-VWLOTQADSA-N 1 0 390.571 4.688 40 0 GJABRO C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH2+]Cc1ccccc1 ZINC000006931320 220978345 /nfs/dbraw/zinc/97/83/45/220978345.db2.gz HKQCBICFBAZMCN-CAKRBILKSA-N 1 0 391.555 4.769 40 0 GJABRO CCOc1cc(C[NH2+]Cc2ccc(C)cc2)cc(Br)c1OCC ZINC000007538051 221000681 /nfs/dbraw/zinc/00/06/81/221000681.db2.gz VVTVMNYPUIGQNC-UHFFFAOYSA-N 1 0 378.310 4.845 40 0 GJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012344596 221183646 /nfs/dbraw/zinc/18/36/46/221183646.db2.gz KJWOZADSWGAKJB-UHFFFAOYSA-N 1 0 393.506 4.551 40 0 GJABRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)ccc1OC1CCCC1 ZINC000019120546 221397848 /nfs/dbraw/zinc/39/78/48/221397848.db2.gz PWFBNFYLGGFCDZ-GHTZIAJQSA-N 1 0 384.520 4.814 40 0 GJABRO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035289057 221815463 /nfs/dbraw/zinc/81/54/63/221815463.db2.gz UTQMWKQLDJBBBM-SEJPIABJSA-N 1 0 379.573 4.785 40 0 GJABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3cc(C)ccc3[nH]2)o1 ZINC000072346794 222233237 /nfs/dbraw/zinc/23/32/37/222233237.db2.gz DXTJZKYTAUIWFO-FQEVSTJZSA-N 1 0 394.519 4.674 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358398 222239754 /nfs/dbraw/zinc/23/97/54/222239754.db2.gz CQKRFZKGDNERKT-IBGZPJMESA-N 1 0 389.499 4.540 40 0 GJABRO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408987677 528617679 /nfs/dbraw/zinc/61/76/79/528617679.db2.gz GICHFCJPWKONAC-FQEVSTJZSA-N 1 0 380.513 4.766 40 0 GJABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000585269981 570238898 /nfs/dbraw/zinc/23/88/98/570238898.db2.gz AADYTCVDNVRNFF-UHFFFAOYSA-N 1 0 384.907 4.536 40 0 GJABRO CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCCC[C@H]2[N@@H+]1Cc1ccccc1 ZINC000212419043 570277221 /nfs/dbraw/zinc/27/72/21/570277221.db2.gz KPCJORJMYAPFSR-QWFCFKBJSA-N 1 0 379.437 4.612 40 0 GJABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216181352 570296669 /nfs/dbraw/zinc/29/66/69/570296669.db2.gz HIKUCQBJKAFRKW-GMAHTHKFSA-N 1 0 382.548 4.768 40 0 GJABRO CCOc1cc(C[NH2+]CCN(CC)CC)ccc1OCc1ccc(Cl)cc1 ZINC000022075369 570321508 /nfs/dbraw/zinc/32/15/08/570321508.db2.gz APPXTZDBQQVBIK-UHFFFAOYSA-N 1 0 390.955 4.749 40 0 GJABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000005019758 570397839 /nfs/dbraw/zinc/39/78/39/570397839.db2.gz RKDZJFLJNYFEJR-UHFFFAOYSA-N 1 0 391.467 4.683 40 0 GJABRO O=C(NCc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000222876675 570429794 /nfs/dbraw/zinc/42/97/94/570429794.db2.gz LHDABJKQCUMQNC-UHFFFAOYSA-N 1 0 376.475 4.507 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccccc3Cl)CC2)cc1 ZINC000039751578 570447463 /nfs/dbraw/zinc/44/74/63/570447463.db2.gz GIZDWTRMSKEZQD-UHFFFAOYSA-N 1 0 384.951 4.609 40 0 GJABRO C[NH+](C)CCCNc1nc(Nc2ccccc2Cl)cc(-c2ccccc2)n1 ZINC000242553578 570456746 /nfs/dbraw/zinc/45/67/46/570456746.db2.gz CCJLSHTXDRHGIY-UHFFFAOYSA-N 1 0 381.911 4.904 40 0 GJABRO Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000243163093 570457117 /nfs/dbraw/zinc/45/71/17/570457117.db2.gz JQMOODRTSNGCLL-UHFFFAOYSA-N 1 0 375.520 4.868 40 0 GJABRO C[NH+](C)CCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)n1 ZINC000243265324 570457398 /nfs/dbraw/zinc/45/73/98/570457398.db2.gz KVLXPHSNVHTNEU-UHFFFAOYSA-N 1 0 395.938 4.773 40 0 GJABRO CCC[NH2+]CC[C@@H](O)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000005838847 570458728 /nfs/dbraw/zinc/45/87/28/570458728.db2.gz WYOUSRKHSRSSFP-CYBMUJFWSA-N 1 0 380.332 4.696 40 0 GJABRO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030940137 570501405 /nfs/dbraw/zinc/50/14/05/570501405.db2.gz XKHSYKXSJMAMPY-GOSISDBHSA-N 1 0 386.923 4.978 40 0 GJABRO CCCCC[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000007261256 570502146 /nfs/dbraw/zinc/50/21/46/570502146.db2.gz ALGVAWIPZGJHKC-UHFFFAOYSA-N 1 0 379.136 4.890 40 0 GJABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836441 570533232 /nfs/dbraw/zinc/53/32/32/570533232.db2.gz OQYGXYWBUVHASB-FQEVSTJZSA-N 1 0 394.559 4.880 40 0 GJABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000036740435 570568378 /nfs/dbraw/zinc/56/83/78/570568378.db2.gz FYSAMFPDTHJFEK-QGZVFWFLSA-N 1 0 381.545 4.669 40 0 GJABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1[nH]c2ccccc2c1C ZINC000036740341 570568492 /nfs/dbraw/zinc/56/84/92/570568492.db2.gz IWHUPSAHWYWASZ-UHFFFAOYSA-N 1 0 388.515 4.774 40 0 GJABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3c(c2)C[C@H](C)O3)s1 ZINC000036740434 570568618 /nfs/dbraw/zinc/56/86/18/570568618.db2.gz FYSAMFPDTHJFEK-KRWDZBQOSA-N 1 0 381.545 4.669 40 0 GJABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccc3ccccc3n2)CC(C)(C)[NH2+]1 ZINC000036740558 570569511 /nfs/dbraw/zinc/56/95/11/570569511.db2.gz AEGPUDFWBRJRDR-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCC2)cc1 ZINC000225512603 570582281 /nfs/dbraw/zinc/58/22/81/570582281.db2.gz NBWONXBETLOTCU-UHFFFAOYSA-N 1 0 392.543 4.920 40 0 GJABRO O=C(NCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832775 570584685 /nfs/dbraw/zinc/58/46/85/570584685.db2.gz MCRZYBZCQSGTFA-QGZVFWFLSA-N 1 0 377.315 4.522 40 0 GJABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000225536283 570585507 /nfs/dbraw/zinc/58/55/07/570585507.db2.gz VEZJISYRRKDPLK-CQSZACIVSA-N 1 0 390.578 4.523 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225618833 570594634 /nfs/dbraw/zinc/59/46/34/570594634.db2.gz MERZXCVAFBYIOE-YYDVJCTNSA-N 1 0 390.568 4.577 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225693581 570603992 /nfs/dbraw/zinc/60/39/92/570603992.db2.gz QFZTUPYGHLVHMF-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225699036 570605035 /nfs/dbraw/zinc/60/50/35/570605035.db2.gz NAZBPFAYDNGPBQ-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225711188 570607177 /nfs/dbraw/zinc/60/71/77/570607177.db2.gz GWCAWBFYVQFAKS-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225731220 570610297 /nfs/dbraw/zinc/61/02/97/570610297.db2.gz KNOUVKACOMHWQV-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225734292 570610674 /nfs/dbraw/zinc/61/06/74/570610674.db2.gz SXIFHUYEXVLNCI-JOCHJYFZSA-N 1 0 378.557 4.577 40 0 GJABRO CC(C)c1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225771936 570615880 /nfs/dbraw/zinc/61/58/80/570615880.db2.gz JTTGIJQAVVGMDR-UHFFFAOYSA-N 1 0 397.588 4.770 40 0 GJABRO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@H+](Cc3ccsc3)[C@H]2C1 ZINC000012188338 570621905 /nfs/dbraw/zinc/62/19/05/570621905.db2.gz DTJFXJIAOGEKKH-AEFFLSMTSA-N 1 0 394.462 4.504 40 0 GJABRO Cc1ccc(C(=O)N(CCC[NH+](C)C)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000004215037 570623511 /nfs/dbraw/zinc/62/35/11/570623511.db2.gz JRHDRFCXXLOJFW-UHFFFAOYSA-N 1 0 397.519 4.856 40 0 GJABRO C[C@@H](C[NH2+][C@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220801 570627550 /nfs/dbraw/zinc/62/75/50/570627550.db2.gz MIJLLFWNPXKPLQ-RHSMWYFYSA-N 1 0 386.542 4.686 40 0 GJABRO O=C(Nc1ccc2sncc2c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904039 570632376 /nfs/dbraw/zinc/63/23/76/570632376.db2.gz KODFZMPXQBGUFM-OAHLLOKOSA-N 1 0 385.920 4.800 40 0 GJABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044852965 570636298 /nfs/dbraw/zinc/63/62/98/570636298.db2.gz HKPRYKSSUQBNGC-HXUWFJFHSA-N 1 0 380.532 4.568 40 0 GJABRO Cc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044909397 570642427 /nfs/dbraw/zinc/64/24/27/570642427.db2.gz ULDRDISZWDERRJ-OAQYLSRUSA-N 1 0 384.951 4.609 40 0 GJABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004888046 570642575 /nfs/dbraw/zinc/64/25/75/570642575.db2.gz AFLJGFNCKSEUNX-MQVJKMGUSA-N 1 0 389.952 4.805 40 0 GJABRO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2)c1 ZINC000004887976 570642602 /nfs/dbraw/zinc/64/26/02/570642602.db2.gz UKSFNFGETNNHFS-FRIKZZABSA-N 1 0 393.531 4.711 40 0 GJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)cc1 ZINC000044936468 570644248 /nfs/dbraw/zinc/64/42/48/570644248.db2.gz BDUIVLAQFGYOCA-QHCPKHFHSA-N 1 0 380.532 4.952 40 0 GJABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000033544217 570645659 /nfs/dbraw/zinc/64/56/59/570645659.db2.gz XBQMMUOBIUKHDL-UHFFFAOYSA-N 1 0 395.890 4.604 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000006629876 570748020 /nfs/dbraw/zinc/74/80/20/570748020.db2.gz ORJJZYPXJMGFBD-UHFFFAOYSA-N 1 0 389.952 4.617 40 0 GJABRO CCCCC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006859306 570752262 /nfs/dbraw/zinc/75/22/62/570752262.db2.gz KQBMFCSZQYJOJK-UHFFFAOYSA-N 1 0 393.325 4.712 40 0 GJABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C(C)(C)C)C3)c2)c1 ZINC000257269076 570772927 /nfs/dbraw/zinc/77/29/27/570772927.db2.gz MOLXPTYORURROM-QGZVFWFLSA-N 1 0 381.520 4.894 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257296318 570777503 /nfs/dbraw/zinc/77/75/03/570777503.db2.gz RCFNPXSGKPSHNM-IBGZPJMESA-N 1 0 386.499 4.899 40 0 GJABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1 ZINC000040373324 570872739 /nfs/dbraw/zinc/87/27/39/570872739.db2.gz NBPAVBNJGSSYQA-FQEVSTJZSA-N 1 0 377.569 4.609 40 0 GJABRO O=C(Nc1c(F)cccc1F)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000014411924 570891495 /nfs/dbraw/zinc/89/14/95/570891495.db2.gz AMSONFRPKBVXGG-UHFFFAOYSA-N 1 0 378.422 4.775 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000260577718 570921166 /nfs/dbraw/zinc/92/11/66/570921166.db2.gz JRTWPQZASLBWHL-AVRDEDQJSA-N 1 0 392.543 4.951 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2cc(F)ccc2F)CC3)cc1 ZINC000585100278 570923874 /nfs/dbraw/zinc/92/38/74/570923874.db2.gz JKBWABZJPUYIGK-XMMPIXPASA-N 1 0 398.497 4.821 40 0 GJABRO Cc1cccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236216 570966542 /nfs/dbraw/zinc/96/65/42/570966542.db2.gz ZEMAOSVRNHQPBI-AWEZNQCLSA-N 1 0 390.409 4.633 40 0 GJABRO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000019347717 570978272 /nfs/dbraw/zinc/97/82/72/570978272.db2.gz MCNRLSYQNOBDCW-KCZVDYSFSA-N 1 0 398.547 4.760 40 0 GJABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2cccc3cccnc32)cc1 ZINC000019554738 571002964 /nfs/dbraw/zinc/00/29/64/571002964.db2.gz BUROUBKPNQZVSK-UHFFFAOYSA-N 1 0 386.499 4.532 40 0 GJABRO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039761963 230927572 /nfs/dbraw/zinc/92/75/72/230927572.db2.gz XLAYLMPJPXZGDR-UHFFFAOYSA-N 1 0 384.951 4.609 40 0 GJABRO CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCc2ccccc2)[nH+]1 ZINC000329035315 212093880 /nfs/dbraw/zinc/09/38/80/212093880.db2.gz RDDUWUCJQQNHCU-UHFFFAOYSA-N 1 0 386.543 4.932 40 0 GJABRO COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C(C)C)n1)C2 ZINC000328993060 212092293 /nfs/dbraw/zinc/09/22/93/212092293.db2.gz IYEZKROTDMBGHQ-UHFFFAOYSA-N 1 0 380.536 4.916 40 0 GJABRO c1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3-c3ccccc3)n2)cc1 ZINC000001569722 206386300 /nfs/dbraw/zinc/38/63/00/206386300.db2.gz BEQVPFBRCICIIG-UHFFFAOYSA-N 1 0 375.455 4.878 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081720 207103420 /nfs/dbraw/zinc/10/34/20/207103420.db2.gz XLJKFBDXIWDMBR-IFMALSPDSA-N 1 0 397.538 4.869 40 0 GJABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220501 207107849 /nfs/dbraw/zinc/10/78/49/207107849.db2.gz RUODYMYDSPKSOV-XMMPIXPASA-N 1 0 391.515 4.534 40 0 GJABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564376 207134196 /nfs/dbraw/zinc/13/41/96/207134196.db2.gz PHJCMCLWVSAODZ-AWEZNQCLSA-N 1 0 387.430 4.857 40 0 GJABRO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCC[N@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353754 208000384 /nfs/dbraw/zinc/00/03/84/208000384.db2.gz RTDZUBOYRVNSIH-LJQANCHMSA-N 1 0 399.542 4.662 40 0 GJABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072358387 208003187 /nfs/dbraw/zinc/00/31/87/208003187.db2.gz WVPDJPDOEZMFIH-SFHVURJKSA-N 1 0 377.463 4.671 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358624 208003704 /nfs/dbraw/zinc/00/37/04/208003704.db2.gz QVUSLNPAGXFFNA-QGZVFWFLSA-N 1 0 398.432 4.937 40 0 GJABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052612 208255960 /nfs/dbraw/zinc/25/59/60/208255960.db2.gz QGVIRXODUYUPKB-IBGZPJMESA-N 1 0 382.573 4.684 40 0 GJABRO CCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000007261626 208723774 /nfs/dbraw/zinc/72/37/74/208723774.db2.gz DMXNSJGDZXUYEO-UHFFFAOYSA-N 1 0 378.310 4.926 40 0 GJABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225692945 208968746 /nfs/dbraw/zinc/96/87/46/208968746.db2.gz RNPINJKJDFHXLS-YYDVJCTNSA-N 1 0 390.568 4.577 40 0 GJABRO C[C@@H](C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019456063 221414928 /nfs/dbraw/zinc/41/49/28/221414928.db2.gz XWNVRXYYQYFAPA-CVDCTZTESA-N 1 0 393.575 4.801 40 0 GJABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257330974 209076805 /nfs/dbraw/zinc/07/68/05/209076805.db2.gz XQVPKTNUCSQEMZ-GOSISDBHSA-N 1 0 386.499 4.899 40 0 GJABRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1cccs1 ZINC000057322154 222030541 /nfs/dbraw/zinc/03/05/41/222030541.db2.gz PYZFYRQFBQKBKG-UHFFFAOYSA-N 1 0 391.128 4.572 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350265 222236359 /nfs/dbraw/zinc/23/63/59/222236359.db2.gz NFRYRFOHNXYCJB-IBGZPJMESA-N 1 0 390.506 4.628 40 0 GJABRO Cc1nnc(Nc2cccc(C3CC[NH+](Cc4ccc(F)cc4)CC3)n2)s1 ZINC000072376125 222243343 /nfs/dbraw/zinc/24/33/43/222243343.db2.gz PXDVIBYVBNOZQT-UHFFFAOYSA-N 1 0 383.496 4.504 40 0 GJABRO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+](C[C@@H](C)c4ccccc4)C3)cc2n1 ZINC000072397159 222253164 /nfs/dbraw/zinc/25/31/64/222253164.db2.gz ZPDKWPRAMQISSF-PBHICJAKSA-N 1 0 388.437 4.650 40 0 GJABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220498 519699628 /nfs/dbraw/zinc/69/96/28/519699628.db2.gz RUODYMYDSPKSOV-DEOSSOPVSA-N 1 0 391.515 4.534 40 0 GJABRO O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2)C1 ZINC000004237519 560197888 /nfs/dbraw/zinc/19/78/88/560197888.db2.gz FYYKJIUHUOCNNT-AZUAARDMSA-N 1 0 390.914 4.788 40 0 biogenic,in-vitro GJABRO Fc1cccc(N[C@@H]2CC[N@H+](Cc3cncs3)C[C@@H]2Cc2ccccc2)c1 ZINC000585262246 570229798 /nfs/dbraw/zinc/22/97/98/570229798.db2.gz VAYIXWLUVMFPLM-PGRDOPGGSA-N 1 0 381.520 4.828 40 0 GJABRO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccc(C)cc2)c1 ZINC000005185767 570250416 /nfs/dbraw/zinc/25/04/16/570250416.db2.gz VBYFJVGKRCTMDW-VJTSUQJLSA-N 1 0 395.543 4.881 40 0 GJABRO O=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208870514 570263255 /nfs/dbraw/zinc/26/32/55/570263255.db2.gz DZMCKYRTKGALSP-XWDORNJCSA-N 1 0 385.939 4.767 40 0 GJABRO O=C(CN1CCC(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000005647030 570272192 /nfs/dbraw/zinc/27/21/92/570272192.db2.gz PFLXJXZRPANRMC-UHFFFAOYSA-N 1 0 377.315 4.887 40 0 GJABRO COc1cc2c(cc1OC)C(=CC1=[NH+]C(C)(C)Cc3ccccc31)NC(C)(C)C2 ZINC000004601807 570387023 /nfs/dbraw/zinc/38/70/23/570387023.db2.gz XEOOAHFHKGDOSH-MOSHPQCFSA-N 1 0 390.527 4.793 40 0 GJABRO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccco1 ZINC000004886327 570415714 /nfs/dbraw/zinc/41/57/14/570415714.db2.gz HKKNNABIIQJWPY-GOOCMWNKSA-N 1 0 393.409 4.616 40 0 GJABRO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000222965891 570433712 /nfs/dbraw/zinc/43/37/12/570433712.db2.gz BBOLRMRREYHALT-SFHVURJKSA-N 1 0 396.531 4.571 40 0 GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000222975973 570434543 /nfs/dbraw/zinc/43/45/43/570434543.db2.gz PYCFOKWBFIIEFA-GOSISDBHSA-N 1 0 394.534 4.794 40 0 GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000222976134 570434604 /nfs/dbraw/zinc/43/46/04/570434604.db2.gz QVCKCWKKQPEKGX-GOSISDBHSA-N 1 0 394.534 4.794 40 0 GJABRO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039749102 570447498 /nfs/dbraw/zinc/44/74/98/570447498.db2.gz LWBUSNFROYGCII-UHFFFAOYSA-N 1 0 380.385 4.695 40 0 GJABRO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000035289446 570454514 /nfs/dbraw/zinc/45/45/14/570454514.db2.gz WODDXVNEXAQTBY-SEJPIABJSA-N 1 0 383.536 4.698 40 0 GJABRO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000035310745 570465884 /nfs/dbraw/zinc/46/58/84/570465884.db2.gz ZKOYCPNDEQERFO-ALOPSCKCSA-N 1 0 391.993 4.884 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223446945 570466575 /nfs/dbraw/zinc/46/65/75/570466575.db2.gz PDWIFCJUSHSSBC-JOCHJYFZSA-N 1 0 398.522 4.622 40 0 GJABRO Cc1cc(C)c([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1C ZINC000223471072 570467831 /nfs/dbraw/zinc/46/78/31/570467831.db2.gz DYDRAQWJZMVFGB-LJQANCHMSA-N 1 0 382.523 4.840 40 0 GJABRO O=C(NCCOc1ccc2ccccc2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000223607704 570474019 /nfs/dbraw/zinc/47/40/19/570474019.db2.gz LAARLKXYVSHYGU-UHFFFAOYSA-N 1 0 388.511 4.635 40 0 GJABRO CCc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000223903072 570489702 /nfs/dbraw/zinc/48/97/02/570489702.db2.gz AOSBLCIKZADGRL-QGZVFWFLSA-N 1 0 384.951 4.992 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 ZINC000030751634 570494328 /nfs/dbraw/zinc/49/43/28/570494328.db2.gz GPBUEPJJXPAMNC-GOSISDBHSA-N 1 0 384.951 4.935 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000032462003 570510683 /nfs/dbraw/zinc/51/06/83/570510683.db2.gz FUBGDYKPNSUYCJ-UHFFFAOYSA-N 1 0 384.523 4.731 40 0 GJABRO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224535718 570517109 /nfs/dbraw/zinc/51/71/09/570517109.db2.gz ZIWZUQWKELGATC-UHFFFAOYSA-N 1 0 391.342 4.564 40 0 GJABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224849982 570534114 /nfs/dbraw/zinc/53/41/14/570534114.db2.gz GTJNQQDFFSZGSP-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000224884474 570536292 /nfs/dbraw/zinc/53/62/92/570536292.db2.gz MRIFEALONGCZEL-UHFFFAOYSA-N 1 0 392.421 4.744 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)C1 ZINC000225429077 570573233 /nfs/dbraw/zinc/57/32/33/570573233.db2.gz ABPWTMCGQBEVTO-INIZCTEOSA-N 1 0 392.528 4.689 40 0 GJABRO O=C(NCCSCc1ccccc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038837113 570587211 /nfs/dbraw/zinc/58/72/11/570587211.db2.gz KTLKSTLHZDRRFC-UHFFFAOYSA-N 1 0 382.573 4.726 40 0 GJABRO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849381 570587779 /nfs/dbraw/zinc/58/77/79/570587779.db2.gz LCWMETPBAOVELL-OAHLLOKOSA-N 1 0 393.314 4.853 40 0 GJABRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590563 570591873 /nfs/dbraw/zinc/59/18/73/570591873.db2.gz LDHLGVMOCQKHHW-ZDUSSCGKSA-N 1 0 393.742 4.639 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225688843 570603715 /nfs/dbraw/zinc/60/37/15/570603715.db2.gz ADCBJVWJXQDTNH-WMZHIEFXSA-N 1 0 390.568 4.720 40 0 GJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225735037 570611155 /nfs/dbraw/zinc/61/11/55/570611155.db2.gz DNAIXCJZVUSHCL-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)c(C)c1C ZINC000043277886 570626879 /nfs/dbraw/zinc/62/68/79/570626879.db2.gz QBRMUFWHIBZCCG-UHFFFAOYSA-N 1 0 383.561 4.971 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)c1 ZINC000044918339 570643371 /nfs/dbraw/zinc/64/33/71/570643371.db2.gz LWWPXBLBORNPLN-JOCHJYFZSA-N 1 0 392.543 4.626 40 0 GJABRO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936776 570644260 /nfs/dbraw/zinc/64/42/60/570644260.db2.gz HQUZGCIFWTXAGL-GGAORHGYSA-N 1 0 382.523 4.941 40 0 GJABRO CC(C)C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000044936897 570644413 /nfs/dbraw/zinc/64/44/13/570644413.db2.gz JXBUFGRYWFMKPG-HSZRJFAPSA-N 1 0 382.523 4.941 40 0 GJABRO Fc1ccc(-c2ccc(C[NH2+]CCCSc3ncccn3)o2)cc1Cl ZINC000004984228 570650190 /nfs/dbraw/zinc/65/01/90/570650190.db2.gz WRMNFZWILDEZSA-UHFFFAOYSA-N 1 0 377.872 4.801 40 0 GJABRO NC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000257209917 570760975 /nfs/dbraw/zinc/76/09/75/570760975.db2.gz BSKPGHOBBDFDBN-UHFFFAOYSA-N 1 0 384.523 4.664 40 0 GJABRO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccccc1Cl ZINC000008470389 570770482 /nfs/dbraw/zinc/77/04/82/570770482.db2.gz OKOHHTOKTXYIBH-UHFFFAOYSA-N 1 0 396.712 4.942 40 0 GJABRO O=C(NCC[NH+]1CCCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687887 570774673 /nfs/dbraw/zinc/77/46/73/570774673.db2.gz HFMHLGQEWPSKHT-UHFFFAOYSA-N 1 0 386.923 4.525 40 0 GJABRO CC(C)c1ccc(O)c(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000257289570 570776567 /nfs/dbraw/zinc/77/65/67/570776567.db2.gz PZGARMJDTGFQAF-UHFFFAOYSA-N 1 0 380.532 4.822 40 0 GJABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccc(Cl)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257298802 570777812 /nfs/dbraw/zinc/77/78/12/570777812.db2.gz RNIUKXCSORBMPT-PZJWPPBQSA-N 1 0 399.918 4.941 40 0 GJABRO CC1(C)CC(N(Cc2ccncc2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000013992699 570868799 /nfs/dbraw/zinc/86/87/99/570868799.db2.gz CMGZYQASHPZMOK-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006495870 570904564 /nfs/dbraw/zinc/90/45/64/570904564.db2.gz UQFKQDSFZGMCBG-LJQANCHMSA-N 1 0 394.342 4.688 40 0 GJABRO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000019376326 570982506 /nfs/dbraw/zinc/98/25/06/570982506.db2.gz AYIMCDUANAPSQZ-GOSISDBHSA-N 1 0 393.874 4.633 40 0 GJABRO CCOc1cc(C[NH2+][C@H](Cc2ccsc2)c2ccc(C)cn2)ccc1OC ZINC000019532147 570999293 /nfs/dbraw/zinc/99/92/93/570999293.db2.gz AZNATTVLZZTYHD-HXUWFJFHSA-N 1 0 382.529 4.932 40 0 GJABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000328969539 571047857 /nfs/dbraw/zinc/04/78/57/571047857.db2.gz DFDQPXPOAONOOO-UHFFFAOYSA-N 1 0 394.563 4.745 40 0 GJABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225607666 222686639 /nfs/dbraw/zinc/68/66/39/222686639.db2.gz HQZCYYCXTKYGLR-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225619358 222686763 /nfs/dbraw/zinc/68/67/63/222686763.db2.gz ODWBPMBNCQYLJK-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO O[C@H](C[C@@H]1CCCC[NH2+]1)c1cc(C(F)(F)F)nc2c1cccc2C(F)(F)F ZINC000001568069 206386026 /nfs/dbraw/zinc/38/60/26/206386026.db2.gz YZLLVZLRDRSNKO-IINYFYTJSA-N 1 0 392.343 4.838 40 0 GJABRO CC(=O)N(C)C1CCC2(CC1)C[N@H+](CC1=CCCCC1)Cc1ccccc1O2 ZINC000019016355 207100213 /nfs/dbraw/zinc/10/02/13/207100213.db2.gz FSVSMHCIERWZAC-UHFFFAOYSA-N 1 0 382.548 4.541 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081748 207102545 /nfs/dbraw/zinc/10/25/45/207102545.db2.gz KUKVZNFEICBDBJ-RBBKRZOGSA-N 1 0 397.538 4.869 40 0 GJABRO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081717 207103113 /nfs/dbraw/zinc/10/31/13/207103113.db2.gz XLJKFBDXIWDMBR-IRLDBZIGSA-N 1 0 397.538 4.869 40 0 GJABRO COc1cc(C[NH2+][C@@H](Cc2ccsc2)c2ccc(C)cn2)cc(OC)c1OC ZINC000019215454 207108341 /nfs/dbraw/zinc/10/83/41/207108341.db2.gz DUDLRXWUTZLMQN-IBGZPJMESA-N 1 0 398.528 4.551 40 0 GJABRO Cc1cccc(C2(O)CC[NH+](Cc3c4cc(C)cnc4[nH]c3C3CC3)CC2)c1 ZINC000019234508 207108941 /nfs/dbraw/zinc/10/89/41/207108941.db2.gz ZKIKFMXVGCJSSG-UHFFFAOYSA-N 1 0 375.516 4.541 40 0 GJABRO CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1 ZINC000019525789 207128779 /nfs/dbraw/zinc/12/87/79/207128779.db2.gz HJGQSRSVIWCOGO-VSQYNUGQSA-N 1 0 395.547 4.508 40 0 GJABRO C[NH+](C)CCOc1ccc(/C(=C(\CCO)c2ccccc2)c2ccccc2)cc1 ZINC000022061234 207246273 /nfs/dbraw/zinc/24/62/73/207246273.db2.gz XIWBHBPMBIXYBK-OCEACIFDSA-N 1 0 387.523 4.969 40 0 GJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075711 207246570 /nfs/dbraw/zinc/24/65/70/207246570.db2.gz JRAWRVHSVGLXSU-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC ZINC000022074375 207247267 /nfs/dbraw/zinc/24/72/67/207247267.db2.gz QBCDEOHXKDYIPD-UHFFFAOYSA-N 1 0 378.310 4.579 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccncc3)C2)c1 ZINC000072358568 208003780 /nfs/dbraw/zinc/00/37/80/208003780.db2.gz RPSRVNYFBNQJNC-SFHVURJKSA-N 1 0 398.432 4.937 40 0 GJABRO Cc1cccnc1Nc1cncc([C@H]2CCC[N@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000072376424 208007435 /nfs/dbraw/zinc/00/74/35/208007435.db2.gz KONITTSYXROEDT-JOCHJYFZSA-N 1 0 398.514 4.752 40 0 GJABRO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378681 208010419 /nfs/dbraw/zinc/01/04/19/208010419.db2.gz DPKIEXXQRFZKAB-OAQYLSRUSA-N 1 0 375.520 4.555 40 0 GJABRO c1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376043 208010578 /nfs/dbraw/zinc/01/05/78/208010578.db2.gz JGIAXNJCHDCBIH-HXUWFJFHSA-N 1 0 396.498 4.543 40 0 GJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052745 208255166 /nfs/dbraw/zinc/25/51/66/208255166.db2.gz KPVWNSHISKWAKO-LJQANCHMSA-N 1 0 394.584 4.828 40 0 GJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052625 208256222 /nfs/dbraw/zinc/25/62/22/208256222.db2.gz UYMUWNQMGAJGGF-HXUWFJFHSA-N 1 0 394.534 4.762 40 0 GJABRO Cc1cccc(C(=O)N(CCC[NH+](C)C)c2nc(-c3ccc(F)cc3)cs2)c1 ZINC000004215035 220693903 /nfs/dbraw/zinc/69/39/03/220693903.db2.gz HHDZXMXEFHSJER-UHFFFAOYSA-N 1 0 397.519 4.856 40 0 GJABRO C[C@@]([NH3+])(c1cc(Br)cc(Br)c1N)C1CCCCC1 ZINC000005141651 220834367 /nfs/dbraw/zinc/83/43/67/220834367.db2.gz QYNKEKWNHSDRNY-AWEZNQCLSA-N 1 0 376.136 4.548 40 0 in-vitro GJABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)nc1 ZINC000007538143 221001252 /nfs/dbraw/zinc/00/12/52/221001252.db2.gz WKICINQQCMCJBC-UHFFFAOYSA-N 1 0 382.891 4.921 40 0 GJABRO COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H]([NH2+]Cc4ccc(F)cc4)C3)c2C)cc1 ZINC000008636094 221048747 /nfs/dbraw/zinc/04/87/47/221048747.db2.gz JPIHKKVXRDWSMA-TZIWHRDSSA-N 1 0 391.490 4.839 40 0 biogenic,in-vitro GJABRO COc1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)ccc1OC1CCCC1 ZINC000012363595 221185131 /nfs/dbraw/zinc/18/51/31/221185131.db2.gz NMDKBOCILLXMHN-UHFFFAOYSA-N 1 0 399.506 4.639 40 0 GJABRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c2c(OC)cccc12 ZINC000019120555 221397755 /nfs/dbraw/zinc/39/77/55/221397755.db2.gz XJDITMASNZUQCK-OXJNMPFZSA-N 1 0 380.488 4.654 40 0 GJABRO C[C@@H](C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 ZINC000019456059 221414252 /nfs/dbraw/zinc/41/42/52/221414252.db2.gz XWNVRXYYQYFAPA-WMZHIEFXSA-N 1 0 393.575 4.801 40 0 GJABRO Cc1ccc(SCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000038836741 221886320 /nfs/dbraw/zinc/88/63/20/221886320.db2.gz SIPPOAJFIBEQMY-UHFFFAOYSA-N 1 0 382.573 4.893 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350257 222236652 /nfs/dbraw/zinc/23/66/52/222236652.db2.gz LJZVPZIRWYZCIP-LJQANCHMSA-N 1 0 388.515 4.574 40 0 GJABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350198 222236727 /nfs/dbraw/zinc/23/67/27/222236727.db2.gz RLWPYPAUDOBHHW-LJQANCHMSA-N 1 0 397.950 4.592 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359292 222238907 /nfs/dbraw/zinc/23/89/07/222238907.db2.gz GLKFDMGMXYOLFN-HXUWFJFHSA-N 1 0 389.499 4.540 40 0 GJABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000072369952 222240974 /nfs/dbraw/zinc/24/09/74/222240974.db2.gz MBGQNXMQJQTBGM-HNNXBMFYSA-N 1 0 391.368 4.884 40 0 GJABRO COc1cc(C)ccc1CN1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372692 222242627 /nfs/dbraw/zinc/24/26/27/222242627.db2.gz NNFIVAHGTZFMEZ-OAQYLSRUSA-N 1 0 389.503 4.578 40 0 GJABRO CC(C)(C)OC(=O)NCC1([NH+](Cc2ccccc2)Cc2ccccc2)CSC1 ZINC000306704233 526447358 /nfs/dbraw/zinc/44/73/58/526447358.db2.gz NKDOHDQZFHHOOA-UHFFFAOYSA-N 1 0 398.572 4.699 40 0 GJABRO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408985964 528617354 /nfs/dbraw/zinc/61/73/54/528617354.db2.gz BNFTXNVSNAYZDA-LJQANCHMSA-N 1 0 384.476 4.597 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000253504569 560037817 /nfs/dbraw/zinc/03/78/17/560037817.db2.gz HLKCYOOWMVLNED-WIIJMRJTSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO Cc1cc2c(nc(C)nc2NC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)s1 ZINC000585292289 570261426 /nfs/dbraw/zinc/26/14/26/570261426.db2.gz GUIGADNVWYOETP-UHFFFAOYSA-N 1 0 391.544 4.866 40 0 GJABRO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020485312 570262017 /nfs/dbraw/zinc/26/20/17/570262017.db2.gz OHWFUOUGBIUOSS-LJQANCHMSA-N 1 0 380.532 4.808 40 0 GJABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCCc1ccccc1 ZINC000022107659 570306098 /nfs/dbraw/zinc/30/60/98/570306098.db2.gz LJFIWPWIRHGVMR-UHFFFAOYSA-N 1 0 379.475 4.788 40 0 GJABRO Cc1ccc(CN(C)C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022525211 570320084 /nfs/dbraw/zinc/32/00/84/570320084.db2.gz NTEAPMSCURYIPR-UHFFFAOYSA-N 1 0 384.523 4.826 40 0 GJABRO COc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107680 570325612 /nfs/dbraw/zinc/32/56/12/570325612.db2.gz UNECLYAUMKSQFN-DFBJGRDBSA-N 1 0 391.511 4.528 40 0 GJABRO CCOC(=O)N1CC[NH+](CCCCCOc2ccc(C(C)(C)CC)cc2)CC1 ZINC000004429332 570374906 /nfs/dbraw/zinc/37/49/06/570374906.db2.gz LLJVRJKQOJDPIR-UHFFFAOYSA-N 1 0 390.568 4.697 40 0 GJABRO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039763375 570446098 /nfs/dbraw/zinc/44/60/98/570446098.db2.gz DWCYTFGBOWHKGN-UHFFFAOYSA-N 1 0 395.012 4.734 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000039767586 570446194 /nfs/dbraw/zinc/44/61/94/570446194.db2.gz BNCHXPFSQGCWEC-UHFFFAOYSA-N 1 0 376.422 4.865 40 0 GJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223213176 570450269 /nfs/dbraw/zinc/45/02/69/570450269.db2.gz OAIYAQPQDSRXOR-IBGZPJMESA-N 1 0 376.544 4.898 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000223223806 570451084 /nfs/dbraw/zinc/45/10/84/570451084.db2.gz GYHRVZLZBHPUIC-IBGZPJMESA-N 1 0 376.544 4.573 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)CC2)c1 ZINC000223223994 570451177 /nfs/dbraw/zinc/45/11/77/570451177.db2.gz UNGUXKLQVWOXHT-LJQANCHMSA-N 1 0 376.544 4.573 40 0 GJABRO CC[n+]1cc(Br)cc(-c2nc3ccc(Br)cc3s2)c1 ZINC000226776767 570461338 /nfs/dbraw/zinc/46/13/38/570461338.db2.gz OPOUFAMVHYDMCA-UHFFFAOYSA-N 1 0 399.131 4.796 40 0 GJABRO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000035310747 570465726 /nfs/dbraw/zinc/46/57/26/570465726.db2.gz DZIOGDUMPKOZMC-GOOCMWNKSA-N 1 0 391.993 4.884 40 0 GJABRO O=C(NCCOc1cccc2ccccc21)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000223535381 570469982 /nfs/dbraw/zinc/46/99/82/570469982.db2.gz HIMGYBZVJRENMF-UHFFFAOYSA-N 1 0 388.511 4.635 40 0 GJABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006356051 570477740 /nfs/dbraw/zinc/47/77/40/570477740.db2.gz STEUGUDCLGDMGA-NZQKXSOJSA-N 1 0 381.560 4.895 40 0 GJABRO COC1(COc2ccc(C)cc2C)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257206557 570487233 /nfs/dbraw/zinc/48/72/33/570487233.db2.gz BDZSAQPEJGREES-UHFFFAOYSA-N 1 0 378.516 4.845 40 0 GJABRO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030940140 570501341 /nfs/dbraw/zinc/50/13/41/570501341.db2.gz XKHSYKXSJMAMPY-SFHVURJKSA-N 1 0 386.923 4.978 40 0 GJABRO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000031719317 570505802 /nfs/dbraw/zinc/50/58/02/570505802.db2.gz ZQMHKZFWWMFSAS-XMMPIXPASA-N 1 0 388.486 4.962 40 0 GJABRO O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224640631 570521884 /nfs/dbraw/zinc/52/18/84/570521884.db2.gz ALFHYWJCCMYGHE-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683416 570524241 /nfs/dbraw/zinc/52/42/41/570524241.db2.gz PBCXRZODIICOHD-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO COc1cc(CNCCC[NH+](C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008373855 570530097 /nfs/dbraw/zinc/53/00/97/570530097.db2.gz QWGPROZHRRYEQX-UHFFFAOYSA-N 1 0 397.346 4.622 40 0 GJABRO CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224850086 570534134 /nfs/dbraw/zinc/53/41/34/570534134.db2.gz VBUWLTSKSRDBPE-XMMPIXPASA-N 1 0 394.559 4.763 40 0 GJABRO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848584 570586896 /nfs/dbraw/zinc/58/68/96/570586896.db2.gz MWRQPCGCNXHADX-KRWDZBQOSA-N 1 0 377.315 4.522 40 0 GJABRO C[NH+](C)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 ZINC000225548246 570586989 /nfs/dbraw/zinc/58/69/89/570586989.db2.gz BEIFWSSZORMLHH-UHFFFAOYSA-N 1 0 398.522 4.997 40 0 GJABRO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849385 570587797 /nfs/dbraw/zinc/58/77/97/570587797.db2.gz YNXDFTIXKWBIHV-OAHLLOKOSA-N 1 0 393.314 4.853 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225688709 570603245 /nfs/dbraw/zinc/60/32/45/570603245.db2.gz XYDIPFKPNBWDGA-HSZRJFAPSA-N 1 0 390.568 4.577 40 0 GJABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225715714 570608026 /nfs/dbraw/zinc/60/80/26/570608026.db2.gz JACAQXOYTCEJSS-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225739005 570611652 /nfs/dbraw/zinc/61/16/52/570611652.db2.gz JYDGQGQVXFKNSH-QFIPXVFZSA-N 1 0 378.557 4.721 40 0 GJABRO Cc1cc(C)cc(CSCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044873308 570637496 /nfs/dbraw/zinc/63/74/96/570637496.db2.gz LZWMCDDRQCPOME-UHFFFAOYSA-N 1 0 396.600 4.839 40 0 GJABRO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004857270 570638815 /nfs/dbraw/zinc/63/88/15/570638815.db2.gz VEGHIBJDHRUQOR-IHWFROFDSA-N 1 0 383.561 4.714 40 0 GJABRO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044917150 570643425 /nfs/dbraw/zinc/64/34/25/570643425.db2.gz LTBLOQKXXQMYCE-LJQANCHMSA-N 1 0 396.506 4.998 40 0 GJABRO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1C ZINC000005626008 570665404 /nfs/dbraw/zinc/66/54/04/570665404.db2.gz NZQQNRDOFZECFH-UHFFFAOYSA-N 1 0 396.922 4.651 40 0 GJABRO CCc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000260759586 570703453 /nfs/dbraw/zinc/70/34/53/570703453.db2.gz BXCQTOJTKKQVJU-UWJYYQICSA-N 1 0 384.951 4.992 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816718 570707359 /nfs/dbraw/zinc/70/73/59/570707359.db2.gz NSTWCSJPGHITCT-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO CCCc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260848635 570710345 /nfs/dbraw/zinc/71/03/45/570710345.db2.gz OFYNIROKHBOXFR-FQEVSTJZSA-N 1 0 394.559 4.680 40 0 GJABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843438 570710360 /nfs/dbraw/zinc/71/03/60/570710360.db2.gz RUIBWTRAOHIMJI-UNMCSNQZSA-N 1 0 398.522 4.622 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260843315 570710398 /nfs/dbraw/zinc/71/03/98/570710398.db2.gz QFZGWWLCXRAYJH-IBGZPJMESA-N 1 0 378.560 4.973 40 0 GJABRO COc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000008469795 570770468 /nfs/dbraw/zinc/77/04/68/570770468.db2.gz YXTXHINAZPZKPT-UHFFFAOYSA-N 1 0 380.326 4.525 40 0 GJABRO OCc1ccccc1CN(Cc1cnn(C2CCCC2)c1)Cc1ccccc1 ZINC000257292619 570776941 /nfs/dbraw/zinc/77/69/41/570776941.db2.gz QMHPIFKKEOXXPE-UHFFFAOYSA-N 1 0 375.516 4.693 40 0 GJABRO Cc1cc(OCC(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1Cl ZINC000017079021 570917520 /nfs/dbraw/zinc/91/75/20/570917520.db2.gz LIBHBVFSKFGKSI-UHFFFAOYSA-N 1 0 386.923 4.960 40 0 GJABRO O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3F)CC2)N1Cc1ccccc1 ZINC000585100061 570924123 /nfs/dbraw/zinc/92/41/23/570924123.db2.gz DNBULORGPGEHJB-QHCPKHFHSA-N 1 0 384.470 4.512 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@H+](CCc2ccccc2)CC3)cc1 ZINC000585100192 570924175 /nfs/dbraw/zinc/92/41/75/570924175.db2.gz HJLSLUWUCVUYRC-VWLOTQADSA-N 1 0 376.544 4.585 40 0 GJABRO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000585108045 570939490 /nfs/dbraw/zinc/93/94/90/570939490.db2.gz XOMRSLXDYZPEBI-PDGJWGCVSA-N 1 0 386.967 4.557 40 0 GJABRO Cn1nc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 ZINC000019289484 570971433 /nfs/dbraw/zinc/97/14/33/570971433.db2.gz HGYWDJNGHOIFOL-AWEZNQCLSA-N 1 0 375.303 4.655 40 0 GJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334351 570976063 /nfs/dbraw/zinc/97/60/63/570976063.db2.gz GWPAMYFEIJAQHI-FKBYEOEOSA-N 1 0 398.547 4.504 40 0 GJABRO O=C(N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400918 570982945 /nfs/dbraw/zinc/98/29/45/570982945.db2.gz WVOHRVSCLILPLB-JTHBVZDNSA-N 1 0 395.522 4.623 40 0 GJABRO Cc1c(C[NH+]2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)cnn1C ZINC000019690494 571029206 /nfs/dbraw/zinc/02/92/06/571029206.db2.gz LEAJRSLOJFEJBU-UHFFFAOYSA-N 1 0 394.950 4.747 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C ZINC000019715874 571037894 /nfs/dbraw/zinc/03/78/94/571037894.db2.gz BPJQRRXOUOMDKO-FQEVSTJZSA-N 1 0 399.542 4.662 40 0 GJABRO O=C(c1ccccc1Cl)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408606626 231077178 /nfs/dbraw/zinc/07/71/78/231077178.db2.gz JIFUWSRBGVTBHL-UHFFFAOYSA-N 1 0 382.935 4.858 40 0 GJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225689250 222690038 /nfs/dbraw/zinc/69/00/38/222690038.db2.gz VGHLYEWTJXCLLL-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CCCOC(C(=O)O[C@H]1CC[C@H]2CC[C@@H]1[N@@H+]2C)(c1ccccc1)c1ccccc1 ZINC000001639500 212253072 /nfs/dbraw/zinc/25/30/72/212253072.db2.gz HKGIWDBWRYKYTC-VJBWXMMDSA-N 1 0 393.527 4.525 40 0 GJABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329007692 212091516 /nfs/dbraw/zinc/09/15/16/212091516.db2.gz LNAGFSDWENWXCB-QGZVFWFLSA-N 1 0 394.563 4.961 40 0 GJABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329057833 206243147 /nfs/dbraw/zinc/24/31/47/206243147.db2.gz WAPNBURNSDSRHX-UHFFFAOYSA-N 1 0 392.425 4.601 40 0 GJABRO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccn2)[NH+]2CCCC2)c1C ZINC000001448814 206383265 /nfs/dbraw/zinc/38/32/65/206383265.db2.gz WSRWYTCVZWDOPJ-IBGZPJMESA-N 1 0 381.501 4.790 40 0 GJABRO O[C@@H]([C@H](c1ccccc1)[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001690374 206390504 /nfs/dbraw/zinc/39/05/04/206390504.db2.gz WCNZEPPRMMCDML-DQEYMECFSA-N 1 0 387.523 4.511 40 0 GJABRO CCCc1ncc(C[NH2+][C@@H]2[C@@H](c3ccc(OC)c(OC)c3)[C@H]3CCCC[C@@H]32)cn1 ZINC000019525788 207128883 /nfs/dbraw/zinc/12/88/83/207128883.db2.gz HJGQSRSVIWCOGO-WJNSRDFLSA-N 1 0 395.547 4.508 40 0 GJABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c(C)n1 ZINC000019691983 207149185 /nfs/dbraw/zinc/14/91/85/207149185.db2.gz KWUXIIVTDNNZMT-DEOSSOPVSA-N 1 0 392.522 4.982 40 0 GJABRO COCCC[N@H+](Cc1ccccn1)CC1(c2ccc(Cl)cc2Cl)CC1 ZINC000019593267 207143387 /nfs/dbraw/zinc/14/33/87/207143387.db2.gz TZVYVZWRUBZKCH-UHFFFAOYSA-N 1 0 379.331 4.959 40 0 GJABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1C[C@@H](C)[NH+]1CCCCC1 ZINC000019719671 207155548 /nfs/dbraw/zinc/15/55/48/207155548.db2.gz IPFRFNWPEFGJEF-GOSISDBHSA-N 1 0 377.536 4.535 40 0 GJABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C ZINC000019719667 207155841 /nfs/dbraw/zinc/15/58/41/207155841.db2.gz QUBDBBDVSOBXCY-HXUWFJFHSA-N 1 0 377.536 4.708 40 0 GJABRO CN(Cc1ccc2ncccc2c1)C(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748267 207157120 /nfs/dbraw/zinc/15/71/20/207157120.db2.gz JHOUHGRKGZLWOE-UHFFFAOYSA-N 1 0 379.548 4.628 40 0 GJABRO CC(C)Oc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020495819 207198635 /nfs/dbraw/zinc/19/86/35/207198635.db2.gz KGWFMDDFBZFEAX-LJQANCHMSA-N 1 0 380.532 4.636 40 0 GJABRO C[C@H](NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccc(F)cc1 ZINC000020460622 207195939 /nfs/dbraw/zinc/19/59/39/207195939.db2.gz ANFGHGUOUCGUAM-SFHVURJKSA-N 1 0 388.486 4.875 40 0 GJABRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462711 207394499 /nfs/dbraw/zinc/39/44/99/207394499.db2.gz ODUNONFPJSFDAP-INIZCTEOSA-N 1 0 388.964 4.733 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358220 208002280 /nfs/dbraw/zinc/00/22/80/208002280.db2.gz GMWHFZKWYVERJX-JOCHJYFZSA-N 1 0 376.479 4.585 40 0 GJABRO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358888 208002748 /nfs/dbraw/zinc/00/27/48/208002748.db2.gz HFOPKBZKMPQQNG-LJQANCHMSA-N 1 0 377.463 4.541 40 0 GJABRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000083260327 208085003 /nfs/dbraw/zinc/08/50/03/208085003.db2.gz RZVKAWNUVBFUSF-YCDQRNBNSA-N 1 0 375.528 4.865 40 0 GJABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccoc5)CC4)nn3c2)c1 ZINC000096038195 208255861 /nfs/dbraw/zinc/25/58/61/208255861.db2.gz ZKBNYKLCAKFPST-UHFFFAOYSA-N 1 0 376.435 4.508 40 0 GJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096053026 208258484 /nfs/dbraw/zinc/25/84/84/208258484.db2.gz CYXJDTYMBNHJDS-IBGZPJMESA-N 1 0 380.532 4.559 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000096316421 208307052 /nfs/dbraw/zinc/30/70/52/208307052.db2.gz HLKCYOOWMVLNED-DQZWCGOGSA-N 1 0 391.511 4.601 40 0 biogenic,in-vitro GJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc2c(c1)CCC2 ZINC000223213120 208896597 /nfs/dbraw/zinc/89/65/97/208896597.db2.gz OAIYAQPQDSRXOR-LJQANCHMSA-N 1 0 376.544 4.898 40 0 GJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](CC3=CCCOC3)C2)n1 ZINC000257244236 209059979 /nfs/dbraw/zinc/05/99/79/209059979.db2.gz IKLVLFUMNZSNCU-IBGZPJMESA-N 1 0 381.495 4.799 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000008474382 221041736 /nfs/dbraw/zinc/04/17/36/221041736.db2.gz KFNNBAOTKWPTDY-UHFFFAOYSA-N 1 0 377.484 4.615 40 0 GJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012344591 221183846 /nfs/dbraw/zinc/18/38/46/221183846.db2.gz BTSMUFKYJRHFEH-UHFFFAOYSA-N 1 0 393.506 4.551 40 0 GJABRO C[C@@H](C[NH2+][C@@H](Cc1ccsc1)c1nccs1)Cc1ccc2c(c1)OCO2 ZINC000012220799 221168892 /nfs/dbraw/zinc/16/88/92/221168892.db2.gz MIJLLFWNPXKPLQ-PBHICJAKSA-N 1 0 386.542 4.686 40 0 GJABRO O=C(CSc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016507960 221365212 /nfs/dbraw/zinc/36/52/12/221365212.db2.gz XPBWHLIJXCHILE-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000096627721 136187444 /nfs/dbraw/zinc/18/74/44/136187444.db2.gz CTXWOLKSSSAIKI-FQEVSTJZSA-N 1 0 395.522 4.667 40 0 GJABRO C[NH+]1CCN(c2ccc(NC(=O)c3cc4c(ccc5ccccc45)o3)cc2)CC1 ZINC000113941293 136192150 /nfs/dbraw/zinc/19/21/50/136192150.db2.gz UOKLCANWXDKMRP-UHFFFAOYSA-N 1 0 385.467 4.590 40 0 GJABRO COc1cccc2c1OC1(CC[NH+](Cc3ccccc3F)CC1)[C@H]1CCCO[C@H]21 ZINC000257333181 209078001 /nfs/dbraw/zinc/07/80/01/209078001.db2.gz YANISNALBUXQRK-SIKLNZKXSA-N 1 0 397.490 4.729 40 0 GJABRO COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCC3)cc1 ZINC000022407678 221559345 /nfs/dbraw/zinc/55/93/45/221559345.db2.gz RAVJJADOZNNIMP-AREMUKBSSA-N 1 0 399.514 4.622 40 0 GJABRO CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875274 221955001 /nfs/dbraw/zinc/95/50/01/221955001.db2.gz VUWCKVJHUGNTQN-FQEVSTJZSA-N 1 0 394.559 4.880 40 0 GJABRO CC(C)=CC[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCC2)CC1 ZINC000057731748 222036325 /nfs/dbraw/zinc/03/63/25/222036325.db2.gz AVCZMJOPRTVNBL-UHFFFAOYSA-N 1 0 382.552 4.973 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3OC)n2)C1 ZINC000072350254 222236804 /nfs/dbraw/zinc/23/68/04/222236804.db2.gz FQUWKQQLXLNRKJ-SFHVURJKSA-N 1 0 388.515 4.574 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359408 222239596 /nfs/dbraw/zinc/23/95/96/222239596.db2.gz SJVQDJJZMCHRCP-GOSISDBHSA-N 1 0 398.432 4.937 40 0 GJABRO COc1ccc(CC[N@@H+]2CCC[C@@H](c3cccc(Nc4ccccn4)n3)C2)cc1 ZINC000072375988 222242088 /nfs/dbraw/zinc/24/20/88/222242088.db2.gz ZVGBGKRMSOVTID-HXUWFJFHSA-N 1 0 388.515 4.651 40 0 GJABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072377987 222245317 /nfs/dbraw/zinc/24/53/17/222245317.db2.gz CQCXVNYCFQAMPK-JOCHJYFZSA-N 1 0 396.498 4.809 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052617 222374188 /nfs/dbraw/zinc/37/41/88/222374188.db2.gz AWZJKRUOXFOEDQ-IBGZPJMESA-N 1 0 380.532 4.524 40 0 GJABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(OCC)cc2)C1=O ZINC000408724644 528403969 /nfs/dbraw/zinc/40/39/69/528403969.db2.gz GPAUOVDOASODOI-XDJHFCHBSA-N 1 0 390.549 4.981 40 0 GJABRO CCC(=O)c1ccc2c(c1)N(C(=O)OCCC[NH+](C)C)c1ccccc1S2 ZINC000065748504 535343152 /nfs/dbraw/zinc/34/31/52/535343152.db2.gz FHQVEAIDOFNZPL-UHFFFAOYSA-N 1 0 384.501 4.970 40 0 in-vitro GJABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCCC2)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171534 560084325 /nfs/dbraw/zinc/08/43/25/560084325.db2.gz XDVAWRHOCZDBRW-VXKWHMMOSA-N 1 0 393.575 4.712 40 0 biogenic,in-vitro GJABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2C2CCCC2)nc1C ZINC000019753460 570215972 /nfs/dbraw/zinc/21/59/72/570215972.db2.gz SRANQVNKYHKPED-FQEVSTJZSA-N 1 0 394.519 4.516 40 0 GJABRO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000585270882 570239102 /nfs/dbraw/zinc/23/91/02/570239102.db2.gz CGFOVYZNEAJDPG-QHCPKHFHSA-N 1 0 398.934 4.926 40 0 GJABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286190 570255724 /nfs/dbraw/zinc/25/57/24/570255724.db2.gz OQKNHEKKZGGWPU-SFTDATJTSA-N 1 0 391.342 4.705 40 0 GJABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH+]1CCC(c2ccccc2)CC1 ZINC000585289043 570256824 /nfs/dbraw/zinc/25/68/24/570256824.db2.gz DIQWYXZKQQBFFD-YTFSRNRJSA-N 1 0 385.935 4.880 40 0 GJABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000585288536 570258969 /nfs/dbraw/zinc/25/89/69/570258969.db2.gz DBOGJWXWNZJYEE-IPMKNSEASA-N 1 0 399.840 4.809 40 0 GJABRO C[C@@H]1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569774 570268552 /nfs/dbraw/zinc/26/85/52/570268552.db2.gz UWADVROSAKPYEC-HUVFLSCGSA-N 1 0 382.592 4.758 40 0 GJABRO CCN(CCCOc1ccccc1)CC[N@H+](CC)CCCOc1ccccc1 ZINC000022581225 570322152 /nfs/dbraw/zinc/32/21/52/570322152.db2.gz JREONKYQWZEBNH-UHFFFAOYSA-N 1 0 384.564 4.568 40 0 GJABRO Cc1ccccc1-[n+]1cc(-c2ccc(Br)cc2)n2c1SCCC2 ZINC000026441376 570327184 /nfs/dbraw/zinc/32/71/84/570327184.db2.gz VBZAOSTWYUGGBY-UHFFFAOYSA-N 1 0 386.338 4.999 40 0 GJABRO CCOC(=O)N1CC[NH+](CCCCCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000004416353 570374230 /nfs/dbraw/zinc/37/42/30/570374230.db2.gz LNGNQGSQDBGDFF-UHFFFAOYSA-N 1 0 390.568 4.697 40 0 GJABRO COc1cc(C[NH2+]Cc2cccnc2)cc(Cl)c1OCc1ccccc1F ZINC000004413542 570374406 /nfs/dbraw/zinc/37/44/06/570374406.db2.gz CHLVYAYJVMCVNI-UHFFFAOYSA-N 1 0 386.854 4.752 40 0 GJABRO CC1CCC([N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)CC1 ZINC000004745302 570401744 /nfs/dbraw/zinc/40/17/44/570401744.db2.gz BWGQRHGLILPDNB-GWHCDVRWSA-N 1 0 382.592 4.758 40 0 GJABRO CCCC[NH+](CCCC)C[C@@H](CN(CC)CC)OC(=O)Nc1ccccc1 ZINC000004778082 570405369 /nfs/dbraw/zinc/40/53/69/570405369.db2.gz YNMMCCYCCHKNIQ-OAQYLSRUSA-N 1 0 377.573 4.848 40 0 GJABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1OC ZINC000005073248 570428115 /nfs/dbraw/zinc/42/81/15/570428115.db2.gz IYXULVYJPGMELR-UHFFFAOYSA-N 1 0 377.484 4.615 40 0 GJABRO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039744173 570446926 /nfs/dbraw/zinc/44/69/26/570446926.db2.gz ZQUHUWIKFMIEME-UHFFFAOYSA-N 1 0 381.278 4.983 40 0 GJABRO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755939 570447752 /nfs/dbraw/zinc/44/77/52/570447752.db2.gz LIDUVQVNABMZQB-UHFFFAOYSA-N 1 0 380.385 4.695 40 0 GJABRO CC(C)(C[NH+]1CCCCC1)C(=O)C[C@@H](SCC[NH3+])c1ccc(Cl)cc1 ZINC000005714969 570452682 /nfs/dbraw/zinc/45/26/82/570452682.db2.gz LMVNYERSUUNDTO-GOSISDBHSA-N 1 0 383.001 4.544 40 0 GJABRO Cc1cc(C)cc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1 ZINC000243056430 570457272 /nfs/dbraw/zinc/45/72/72/570457272.db2.gz IHWLTMOQQYADDE-UHFFFAOYSA-N 1 0 375.520 4.868 40 0 GJABRO COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000243669457 570457839 /nfs/dbraw/zinc/45/78/39/570457839.db2.gz PDCOIGGYWINJAC-UHFFFAOYSA-N 1 0 397.910 4.523 40 0 GJABRO C[C@@H](CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415322 570464629 /nfs/dbraw/zinc/46/46/29/570464629.db2.gz XTCWMGJXGKXNPS-FQEVSTJZSA-N 1 0 384.523 4.778 40 0 GJABRO COc1ccc([C@](O)(CC[NH+]2CC3CCC(CC3)C2)Cc2ccccc2)cc1 ZINC000006484523 570481447 /nfs/dbraw/zinc/48/14/47/570481447.db2.gz OFLCDQBICSKPPZ-OWWUNANSSA-N 1 0 379.544 4.638 40 0 GJABRO C[C@@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC=C3C[C@H](O)CC[C@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253590298 570484155 /nfs/dbraw/zinc/48/41/55/570484155.db2.gz FNIVMUUUMKIEAO-RGWSFQKKSA-N 1 0 399.619 4.897 40 0 GJABRO CO[C@]1(COc2ccc(C)cc2)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257265998 570488161 /nfs/dbraw/zinc/48/81/61/570488161.db2.gz MBEOYNWVDNPOLQ-XMMPIXPASA-N 1 0 378.516 4.926 40 0 GJABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000007262309 570502101 /nfs/dbraw/zinc/50/21/01/570502101.db2.gz RJKYRTDAAFAWNX-UHFFFAOYSA-N 1 0 378.310 4.926 40 0 GJABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224516461 570515861 /nfs/dbraw/zinc/51/58/61/570515861.db2.gz QCDWMMZCQMVTTP-HXUWFJFHSA-N 1 0 394.559 4.798 40 0 GJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)C(c1ccccc1)c1ccccc1 ZINC000008011692 570520659 /nfs/dbraw/zinc/52/06/59/570520659.db2.gz YWTVTKUQHQYINX-UHFFFAOYSA-N 1 0 384.523 4.731 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000224651460 570522818 /nfs/dbraw/zinc/52/28/18/570522818.db2.gz JFPYJKKNCDDWQZ-UHFFFAOYSA-N 1 0 378.560 4.648 40 0 GJABRO CCOCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008253174 570525635 /nfs/dbraw/zinc/52/56/35/570525635.db2.gz AXJNUZNIVPVSOC-UHFFFAOYSA-N 1 0 381.875 4.583 40 0 GJABRO C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377001 570530192 /nfs/dbraw/zinc/53/01/92/570530192.db2.gz OULLVEVMKNPEEG-UHFFFAOYSA-N 1 0 387.738 4.925 40 0 GJABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224850730 570534159 /nfs/dbraw/zinc/53/41/59/570534159.db2.gz MZWRPDSNQMSAGQ-UHFFFAOYSA-N 1 0 394.559 4.800 40 0 GJABRO CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000225222611 570557662 /nfs/dbraw/zinc/55/76/62/570557662.db2.gz ZYNJFFAVHCAEFF-FQEVSTJZSA-N 1 0 378.560 4.916 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000225350917 570566415 /nfs/dbraw/zinc/56/64/15/570566415.db2.gz UUNFKNQIGWJVDB-OAQYLSRUSA-N 1 0 398.978 4.993 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000225355132 570566696 /nfs/dbraw/zinc/56/66/96/570566696.db2.gz MNJWRNSSZLGVGD-UHFFFAOYSA-N 1 0 398.978 4.993 40 0 GJABRO O=C(NCCSC1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038852765 570588647 /nfs/dbraw/zinc/58/86/47/570588647.db2.gz QHVBZYCGCWUDLO-SFHVURJKSA-N 1 0 395.012 4.734 40 0 GJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@H](C)C1 ZINC000225662573 570599828 /nfs/dbraw/zinc/59/98/28/570599828.db2.gz WNNOTGYNUGVOHG-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225703663 570606007 /nfs/dbraw/zinc/60/60/07/570606007.db2.gz QOGHIIAQBOBDDN-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCC(C)CC1 ZINC000225720536 570608368 /nfs/dbraw/zinc/60/83/68/570608368.db2.gz SBORCZSHFAVTHB-UHFFFAOYSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225731153 570610176 /nfs/dbraw/zinc/61/01/76/570610176.db2.gz BFZAJVMNDAMSDN-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000225730943 570610261 /nfs/dbraw/zinc/61/02/61/570610261.db2.gz LGPKSFCGFDXLKT-QZTJIDSGSA-N 1 0 389.609 4.662 40 0 GJABRO COc1cccc(-c2n[nH]cc2C[NH2+]C2(c3ccccc3OC)CCCC2)c1 ZINC000012116975 570611460 /nfs/dbraw/zinc/61/14/60/570611460.db2.gz ODPOVJITYAGWPU-UHFFFAOYSA-N 1 0 377.488 4.653 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225739158 570611554 /nfs/dbraw/zinc/61/15/54/570611554.db2.gz PTYMKYLEYXOMHQ-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044855418 570636437 /nfs/dbraw/zinc/63/64/37/570636437.db2.gz UAAYJXWTNOYSOR-OAQYLSRUSA-N 1 0 378.516 4.623 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)cc1C ZINC000044856683 570637016 /nfs/dbraw/zinc/63/70/16/570637016.db2.gz FYFXJVLWTYLVQS-QHCPKHFHSA-N 1 0 382.523 4.922 40 0 GJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc(C)cc1C ZINC000044856684 570637110 /nfs/dbraw/zinc/63/71/10/570637110.db2.gz FYFXJVLWTYLVQS-HSZRJFAPSA-N 1 0 382.523 4.922 40 0 GJABRO CSc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004883338 570642725 /nfs/dbraw/zinc/64/27/25/570642725.db2.gz FEDIYHXZMFUSAV-AYHJJNSGSA-N 1 0 385.533 4.709 40 0 GJABRO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044911935 570643005 /nfs/dbraw/zinc/64/30/05/570643005.db2.gz OPNMHVBURWWLEK-KRWDZBQOSA-N 1 0 394.515 4.656 40 0 GJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 ZINC000006629892 570748207 /nfs/dbraw/zinc/74/82/07/570748207.db2.gz IYPCKIQVVAKUPW-UHFFFAOYSA-N 1 0 391.540 4.808 40 0 GJABRO CCC[C@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C[C@H]1Nc1cccc(F)c1 ZINC000257236328 570767116 /nfs/dbraw/zinc/76/71/16/570767116.db2.gz HBPXQLIWJGXPSC-WMZHIEFXSA-N 1 0 383.511 4.887 40 0 GJABRO CC(C)(C)c1ccc(O)c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000257324834 570781772 /nfs/dbraw/zinc/78/17/72/570781772.db2.gz WQKCDRWKOKAHNC-UHFFFAOYSA-N 1 0 380.532 4.606 40 0 GJABRO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2ccc(F)c(F)c2)cc1OC ZINC000013989525 570868296 /nfs/dbraw/zinc/86/82/96/570868296.db2.gz VUSVSHAEXCLGPE-UHFFFAOYSA-N 1 0 398.453 4.622 40 0 GJABRO Cn1nc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 ZINC000019289483 570971467 /nfs/dbraw/zinc/97/14/67/570971467.db2.gz HGYWDJNGHOIFOL-CQSZACIVSA-N 1 0 375.303 4.655 40 0 GJABRO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000019332143 570975482 /nfs/dbraw/zinc/97/54/82/570975482.db2.gz DMNQQEXBQVPMJI-FKBYEOEOSA-N 1 0 398.547 4.760 40 0 GJABRO C[C@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745319 570992880 /nfs/dbraw/zinc/99/28/80/570992880.db2.gz UWADVROSAKPYEC-NKKJXINNSA-N 1 0 382.592 4.758 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000222552696 222609190 /nfs/dbraw/zinc/60/91/90/222609190.db2.gz PPWDABLNMSOHEE-UHFFFAOYSA-N 1 0 390.449 4.542 40 0 GJABRO CCOc1ccc(-c2cn(-c3ccc(OC)cc3)c3[n+]2-c2ccccc2CC3)cc1 ZINC000000622951 212165671 /nfs/dbraw/zinc/16/56/71/212165671.db2.gz DSYYLHSDLHGAKK-UHFFFAOYSA-N 1 0 397.498 4.927 40 0 GJABRO O=C(COc1cccc2ccccc21)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010280621 206809624 /nfs/dbraw/zinc/80/96/24/206809624.db2.gz HQHXGJBEXGHGSM-UHFFFAOYSA-N 1 0 388.511 4.521 40 0 GJABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1)c1nc2ccccc2s1 ZINC000019496923 207124607 /nfs/dbraw/zinc/12/46/07/207124607.db2.gz DCHFGJRTHJDYTL-HNNXBMFYSA-N 1 0 383.517 4.612 40 0 GJABRO COc1ccccc1OCC[N@H+](C)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000019586174 207139656 /nfs/dbraw/zinc/13/96/56/207139656.db2.gz FBZZQYOQWOTMOK-UHFFFAOYSA-N 1 0 379.504 4.740 40 0 GJABRO Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000019691039 207148218 /nfs/dbraw/zinc/14/82/18/207148218.db2.gz JCEPYWVKCAIMCG-XMMPIXPASA-N 1 0 395.510 4.920 40 0 GJABRO COc1cc(C[NH2+]CCc2ccccc2F)ccc1OCc1ccc(F)cc1 ZINC000022074449 207247509 /nfs/dbraw/zinc/24/75/09/207247509.db2.gz GTNHQCVAJFOFFF-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO Fc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000072358887 208004196 /nfs/dbraw/zinc/00/41/96/208004196.db2.gz HFOPKBZKMPQQNG-IBGZPJMESA-N 1 0 377.463 4.541 40 0 GJABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072376336 208008539 /nfs/dbraw/zinc/00/85/39/208008539.db2.gz FGTQBKBKOWHJQV-JOCHJYFZSA-N 1 0 396.498 4.809 40 0 GJABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 ZINC000096071973 208257840 /nfs/dbraw/zinc/25/78/40/208257840.db2.gz HGDNDWOMBFEXLP-QFIPXVFZSA-N 1 0 386.536 4.743 40 0 GJABRO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 ZINC000008227156 221031546 /nfs/dbraw/zinc/03/15/46/221031546.db2.gz FVGPRCAXHINDSP-UHFFFAOYSA-N 1 0 382.273 4.675 40 0 GJABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl ZINC000008470421 221041669 /nfs/dbraw/zinc/04/16/69/221041669.db2.gz JSYTWZFXTCOLIT-INIZCTEOSA-N 1 0 396.314 4.850 40 0 GJABRO COc1cc(C[NH2+]CCc2ccc(F)cc2)ccc1OCc1ccccc1F ZINC000008472267 221042461 /nfs/dbraw/zinc/04/24/61/221042461.db2.gz RBLOAECCUXNXQO-UHFFFAOYSA-N 1 0 383.438 4.885 40 0 GJABRO COc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471676 221042723 /nfs/dbraw/zinc/04/27/23/221042723.db2.gz IQCKLWWMHYBNGR-QGZVFWFLSA-N 1 0 396.314 4.850 40 0 GJABRO COc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1Cl ZINC000008495441 221043064 /nfs/dbraw/zinc/04/30/64/221043064.db2.gz CIMOAZBGGDRPAP-KRWDZBQOSA-N 1 0 396.314 4.850 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081752 221396137 /nfs/dbraw/zinc/39/61/37/221396137.db2.gz KUKVZNFEICBDBJ-IFMALSPDSA-N 1 0 397.538 4.869 40 0 GJABRO Fc1ccc(OCC[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257306664 209072918 /nfs/dbraw/zinc/07/29/18/209072918.db2.gz SVGVDFKNMLQWQP-UHFFFAOYSA-N 1 0 392.478 4.618 40 0 GJABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 ZINC000022931871 136204577 /nfs/dbraw/zinc/20/45/77/136204577.db2.gz CZQGCEALMOMQSD-XMMPIXPASA-N 1 0 392.591 4.558 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072348594 222235177 /nfs/dbraw/zinc/23/51/77/222235177.db2.gz JVRWDWCFDVPKIR-JOCHJYFZSA-N 1 0 388.511 4.629 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350266 222236208 /nfs/dbraw/zinc/23/62/08/222236208.db2.gz NFRYRFOHNXYCJB-LJQANCHMSA-N 1 0 390.506 4.628 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cnn1C ZINC000072353978 222237920 /nfs/dbraw/zinc/23/79/20/222237920.db2.gz YSCBOGKBNRQUOQ-OAQYLSRUSA-N 1 0 392.522 4.541 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358623 222238992 /nfs/dbraw/zinc/23/89/92/222238992.db2.gz QVUSLNPAGXFFNA-KRWDZBQOSA-N 1 0 398.432 4.937 40 0 GJABRO Clc1ccccc1C[N@@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375921 222242567 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COc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107675 570325592 /nfs/dbraw/zinc/32/55/92/570325592.db2.gz UNECLYAUMKSQFN-KBMIEXCESA-N 1 0 391.511 4.528 40 0 GJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 ZINC000004887981 570415628 /nfs/dbraw/zinc/41/56/28/570415628.db2.gz DCEPUEYTNTUGLE-IHWFROFDSA-N 1 0 381.495 4.841 40 0 GJABRO O=C(NCc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000222813657 570427002 /nfs/dbraw/zinc/42/70/02/570427002.db2.gz LZXUMMJIMHBBLX-JOCHJYFZSA-N 1 0 376.475 4.507 40 0 GJABRO O=C(Nc1cc(Cl)cc(Cl)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772952 570446550 /nfs/dbraw/zinc/44/65/50/570446550.db2.gz LJWHRKXMCYSJBE-UHFFFAOYSA-N 1 0 381.278 4.983 40 0 GJABRO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039745047 570446921 /nfs/dbraw/zinc/44/69/21/570446921.db2.gz URDPFURIQHVPSK-UHFFFAOYSA-N 1 0 377.315 4.522 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)CC2)c1 ZINC000223223937 570451192 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4.581 40 0 GJABRO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020192871 570514605 /nfs/dbraw/zinc/51/46/05/570514605.db2.gz REBUBYSUEWICLT-AREMUKBSSA-N 1 0 396.538 4.779 40 0 GJABRO CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224535113 570517119 /nfs/dbraw/zinc/51/71/19/570517119.db2.gz JDCGDYZBONIOKZ-DEOSSOPVSA-N 1 0 394.559 4.709 40 0 GJABRO CC(C)(C)c1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000224611170 570520321 /nfs/dbraw/zinc/52/03/21/570520321.db2.gz ASZHXAVYJUXVPX-UHFFFAOYSA-N 1 0 378.560 4.829 40 0 GJABRO Cc1ccc(C(C)C)c(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698753 570525633 /nfs/dbraw/zinc/52/56/33/570525633.db2.gz ASZNDZGBYLGXQZ-UHFFFAOYSA-N 1 0 394.559 4.800 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008326284 570528101 /nfs/dbraw/zinc/52/81/01/570528101.db2.gz YUPJFZYTJHUIFS-KRWDZBQOSA-N 1 0 398.330 4.832 40 0 GJABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224778780 570530446 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COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038849382 570587807 /nfs/dbraw/zinc/58/78/07/570587807.db2.gz LCWMETPBAOVELL-HNNXBMFYSA-N 1 0 393.314 4.853 40 0 GJABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225619475 570595202 /nfs/dbraw/zinc/59/52/02/570595202.db2.gz PSZQRTNFQCNAJS-WMZHIEFXSA-N 1 0 390.568 4.864 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225623036 570595608 /nfs/dbraw/zinc/59/56/08/570595608.db2.gz NBYZTEJFSXBZJX-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225622960 570595706 /nfs/dbraw/zinc/59/57/06/570595706.db2.gz JJYISHUFBGRJHJ-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+](CC)CC)cc2)CCCCC1 ZINC000225657385 570598864 /nfs/dbraw/zinc/59/88/64/570598864.db2.gz BFXASHTYMQXQCQ-UHFFFAOYSA-N 1 0 390.568 4.865 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225693557 570604234 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GJABRO Oc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185719 570620528 /nfs/dbraw/zinc/62/05/28/570620528.db2.gz CTHVKOAIINFDGJ-HXUWFJFHSA-N 1 0 392.455 4.893 40 0 GJABRO Cc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 ZINC000004887986 570642526 /nfs/dbraw/zinc/64/25/26/570642526.db2.gz JTZUTCPNERHURW-FRIKZZABSA-N 1 0 381.495 4.841 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)CC2)c1 ZINC000044918343 570643376 /nfs/dbraw/zinc/64/33/76/570643376.db2.gz LWWPXBLBORNPLN-QFIPXVFZSA-N 1 0 392.543 4.626 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816935 570708589 /nfs/dbraw/zinc/70/85/89/570708589.db2.gz SEYDJNUIEGQQLF-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO CCOc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1cccs1 ZINC000007523766 570760091 /nfs/dbraw/zinc/76/00/91/570760091.db2.gz SSONDOSQLDIQDM-UHFFFAOYSA-N 1 0 397.496 4.744 40 0 GJABRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(C)cc1 ZINC000007538162 570760402 /nfs/dbraw/zinc/76/04/02/570760402.db2.gz BUCLQGYTWKECFC-UHFFFAOYSA-N 1 0 399.126 4.818 40 0 GJABRO CC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 ZINC000008227138 570765830 /nfs/dbraw/zinc/76/58/30/570765830.db2.gz FOEHJYMDRJNARK-UHFFFAOYSA-N 1 0 382.273 4.675 40 0 GJABRO CC(C)(C)c1ccc(O)c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000257234635 570766416 /nfs/dbraw/zinc/76/64/16/570766416.db2.gz GULUQRRBNCQIAP-UHFFFAOYSA-N 1 0 380.532 4.606 40 0 GJABRO Cc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100355 570924552 /nfs/dbraw/zinc/92/45/52/570924552.db2.gz GDGUIBIOAVFBQM-QFIPXVFZSA-N 1 0 388.458 4.527 40 0 GJABRO COc1ccc(CC[NH+]2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 ZINC000019217822 570962383 /nfs/dbraw/zinc/96/23/83/570962383.db2.gz LAAAIXNASWCPFC-UHFFFAOYSA-N 1 0 383.517 4.537 40 0 GJABRO C[N@H+]1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccccc3)C[C@@H]1CC2 ZINC000004866527 570998511 /nfs/dbraw/zinc/99/85/11/570998511.db2.gz GRMDVEKHWGLKTF-RTWAWAEBSA-N 1 0 385.511 4.603 40 0 GJABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)CCC1CCCC1)Cc1ccccc1O2 ZINC000019583984 571014527 /nfs/dbraw/zinc/01/45/27/571014527.db2.gz MDBNAZBNCNZLSW-UHFFFAOYSA-N 1 0 384.564 4.621 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C ZINC000019715873 571037827 /nfs/dbraw/zinc/03/78/27/571037827.db2.gz BPJQRRXOUOMDKO-HXUWFJFHSA-N 1 0 399.542 4.662 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1 ZINC000225731248 222693023 /nfs/dbraw/zinc/69/30/23/222693023.db2.gz KNOUVKACOMHWQV-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2c1[C@H](c1ccccc1)C(C)(C)O2 ZINC000001708594 212254296 /nfs/dbraw/zinc/25/42/96/212254296.db2.gz PUPZSDCVJPVQTJ-XLIONFOSSA-N 1 0 382.552 4.702 40 0 GJABRO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C(C)C)[nH+]1 ZINC000328998554 206241575 /nfs/dbraw/zinc/24/15/75/206241575.db2.gz JSRNQXIWYLHNQL-UHFFFAOYSA-N 1 0 394.441 4.882 40 0 GJABRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3F)c2)cc1OC ZINC000008493657 206753177 /nfs/dbraw/zinc/75/31/77/206753177.db2.gz SAGNAKMSOIUHLY-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO Cc1cccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236215 207110156 /nfs/dbraw/zinc/11/01/56/207110156.db2.gz ZEMAOSVRNHQPBI-CQSZACIVSA-N 1 0 390.409 4.633 40 0 GJABRO O=C(N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400915 207119985 /nfs/dbraw/zinc/11/99/85/207119985.db2.gz WVOHRVSCLILPLB-FYYLOGMGSA-N 1 0 395.522 4.623 40 0 GJABRO Cc1cccnc1-n1cccc1C[N@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019237893 207111007 /nfs/dbraw/zinc/11/10/07/207111007.db2.gz DRMJRJSOZONLBD-UHFFFAOYSA-N 1 0 382.511 4.821 40 0 GJABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3cccs3)CC2)n1 ZINC000019450344 207122721 /nfs/dbraw/zinc/12/27/21/207122721.db2.gz WGCNRCCIRXEHOA-UHFFFAOYSA-N 1 0 393.560 4.800 40 0 GJABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019692069 207148763 /nfs/dbraw/zinc/14/87/63/207148763.db2.gz JZNDROSTICWIHV-HSZRJFAPSA-N 1 0 378.495 4.673 40 0 GJABRO COCCn1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)c2ccccc21 ZINC000019594215 207143873 /nfs/dbraw/zinc/14/38/73/207143873.db2.gz TXUYSRIBDSYTRN-UHFFFAOYSA-N 1 0 378.516 4.855 40 0 GJABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743197 207158108 /nfs/dbraw/zinc/15/81/08/207158108.db2.gz IBKPMNZOLZLXKD-OAQYLSRUSA-N 1 0 396.579 4.724 40 0 GJABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020459310 207195318 /nfs/dbraw/zinc/19/53/18/207195318.db2.gz CNLOJAYYGFFSRU-RBBKRZOGSA-N 1 0 382.548 4.768 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)CC1 ZINC000020460450 207195801 /nfs/dbraw/zinc/19/58/01/207195801.db2.gz PYAQZIHNKJZUOB-UHFFFAOYSA-N 1 0 384.951 4.935 40 0 GJABRO Cc1ccccc1[N+]1=C2CCCCN2[C@@](O)(c2ccc(Cl)c(Cl)c2)C1 ZINC000022407894 207253205 /nfs/dbraw/zinc/25/32/05/207253205.db2.gz BTELIMBBZPZNOF-FQEVSTJZSA-N 1 0 376.307 4.562 40 0 GJABRO Cc1cccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000024181855 207288680 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GJABRO O=C(C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000016477341 221363649 /nfs/dbraw/zinc/36/36/49/221363649.db2.gz JGEUMCIBCXYGKV-XMMPIXPASA-N 1 0 388.486 4.962 40 0 GJABRO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 ZINC000057718389 136153763 /nfs/dbraw/zinc/15/37/63/136153763.db2.gz JYNXUVWLFSXVJX-IAGOWNOFSA-N 1 0 391.515 4.631 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(N2CCCCC2)cc1 ZINC000224670168 136207105 /nfs/dbraw/zinc/20/71/05/136207105.db2.gz PTTVVUPIFHLGJE-UHFFFAOYSA-N 1 0 391.559 4.593 40 0 GJABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)[nH+]1 ZINC000257339048 209078698 /nfs/dbraw/zinc/07/86/98/209078698.db2.gz YZZRZTHGYVKHPT-GOSISDBHSA-N 1 0 375.447 4.902 40 0 GJABRO CCC1C=C2C(c3ccccc3)=CC(=O)O[C@@H]2[C@@H](C[NH+]2CCC(C)CC2)C1=O ZINC000028120524 221668852 /nfs/dbraw/zinc/66/88/52/221668852.db2.gz QSKDUZHVPFHIOF-URXFXBBRSA-N 1 0 379.500 4.506 40 0 GJABRO CC(C)CC(=O)N[C@@H](c1nccs1)C1CCC(C[NH2+]C2CCCC2)CC1 ZINC000072373165 222242562 /nfs/dbraw/zinc/24/25/62/222242562.db2.gz NTDJMDPYDFRBKN-LBXVMSDZSA-N 1 0 377.598 4.685 40 0 GJABRO c1ccc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377984 222244564 /nfs/dbraw/zinc/24/45/64/222244564.db2.gz ROYZPIAPKIFZKR-HXUWFJFHSA-N 1 0 396.498 4.543 40 0 GJABRO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@@H+]2Cc2ccncc2)n1 ZINC000072376857 222244674 /nfs/dbraw/zinc/24/46/74/222244674.db2.gz HSAXFAZBQFCACX-IBGZPJMESA-N 1 0 379.895 4.501 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379124 222245128 /nfs/dbraw/zinc/24/51/28/222245128.db2.gz MVHIAGSPBUYBGR-FQEVSTJZSA-N 1 0 390.531 4.779 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072379118 222245498 /nfs/dbraw/zinc/24/54/98/222245498.db2.gz NVAGRUPUFGKYMU-OAQYLSRUSA-N 1 0 376.504 4.736 40 0 GJABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052626 222374762 /nfs/dbraw/zinc/37/47/62/222374762.db2.gz UYMUWNQMGAJGGF-FQEVSTJZSA-N 1 0 394.534 4.762 40 0 GJABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cc1 ZINC000096038176 222374985 /nfs/dbraw/zinc/37/49/85/222374985.db2.gz GSAWPCASDSWLOX-UHFFFAOYSA-N 1 0 398.510 4.785 40 0 GJABRO CCCCOc1ccc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408609954 528659229 /nfs/dbraw/zinc/65/92/29/528659229.db2.gz PPNZUAQCNWNICT-UHFFFAOYSA-N 1 0 392.543 4.528 40 0 GJABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289852 560031198 /nfs/dbraw/zinc/03/11/98/560031198.db2.gz KEKAFOJARNZDOP-CNNODRBYSA-N 1 0 394.625 4.603 40 0 biogenic,in-vitro GJABRO Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446625 560079161 /nfs/dbraw/zinc/07/91/61/560079161.db2.gz RSCPVUZITIQXCU-ZDUSSCGKSA-N 1 0 379.357 4.590 40 0 biogenic,in-vitro GJABRO c1nc(Nc2cccc(C[C@H]3CC[C@@H]4C[NH2+]C[C@H]34)n2)sc1-c1ccccc1 ZINC000585263023 570230914 /nfs/dbraw/zinc/23/09/14/570230914.db2.gz HRTWCCAAJWHSCV-ZHALLVOQSA-N 1 0 376.529 4.737 40 0 GJABRO CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@H]([NH3+])CO ZINC000104850106 570303892 /nfs/dbraw/zinc/30/38/92/570303892.db2.gz CKNOUMOYIGNOBN-TVQFWRQISA-N 1 0 377.569 4.995 40 0 GJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375729 570340201 /nfs/dbraw/zinc/34/02/01/570340201.db2.gz IVISQLDUXOXMJM-GOSISDBHSA-N 1 0 380.517 4.936 40 0 GJABRO COc1cc2ccccc2cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219397274 570358922 /nfs/dbraw/zinc/35/89/22/570358922.db2.gz NNXJSWYPRATNCK-UHFFFAOYSA-N 1 0 390.483 4.574 40 0 GJABRO CCCCOC(C(=O)OCC[NH+](CC)CC)(c1ccccc1)c1ccccc1 ZINC000004430115 570375111 /nfs/dbraw/zinc/37/51/11/570375111.db2.gz CVLCOGYIYQYHQM-UHFFFAOYSA-N 1 0 383.532 4.632 40 0 GJABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000222800661 570426390 /nfs/dbraw/zinc/42/63/90/570426390.db2.gz NQOKXZKNWCDUOU-UHFFFAOYSA-N 1 0 376.475 4.507 40 0 GJABRO O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1CCC[NH+]1CCCCC1 ZINC000005604886 570448794 /nfs/dbraw/zinc/44/87/94/570448794.db2.gz DXUWCCYFBAVUKQ-UHFFFAOYSA-N 1 0 395.934 4.517 40 0 GJABRO Cc1cccc(Nc2cc(-c3ccccc3)nc(NCCC[NH+](C)C)n2)c1C ZINC000243892861 570457808 /nfs/dbraw/zinc/45/78/08/570457808.db2.gz RQQCETOQUZXQCM-UHFFFAOYSA-N 1 0 375.520 4.868 40 0 GJABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000223322646 570458030 /nfs/dbraw/zinc/45/80/30/570458030.db2.gz RXMDIIZNUHBIAP-UHFFFAOYSA-N 1 0 390.578 4.523 40 0 GJABRO COCc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223416284 570465321 /nfs/dbraw/zinc/46/53/21/570465321.db2.gz FIWUBPYGVGCENE-UHFFFAOYSA-N 1 0 386.495 4.644 40 0 GJABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 ZINC000006517628 570482423 /nfs/dbraw/zinc/48/24/23/570482423.db2.gz XMGHFTYFNYEXMU-VGOFMYFVSA-N 1 0 377.532 4.604 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Cc3ccncc3)cc2)CC1 ZINC000224527486 570516841 /nfs/dbraw/zinc/51/68/41/570516841.db2.gz PJKSAEVBPZSFKQ-UHFFFAOYSA-N 1 0 399.538 4.832 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008253165 570525689 /nfs/dbraw/zinc/52/56/89/570525689.db2.gz CYQUOJAGUNCRQQ-UHFFFAOYSA-N 1 0 396.300 4.683 40 0 GJABRO CCOc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccccc1Cl ZINC000008254102 570526275 /nfs/dbraw/zinc/52/62/75/570526275.db2.gz QNKBEDMDCNYBET-UHFFFAOYSA-N 1 0 398.330 4.832 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224922909 570538314 /nfs/dbraw/zinc/53/83/14/570538314.db2.gz QFZGWWLCXRAYJH-LJQANCHMSA-N 1 0 378.560 4.973 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225191911 570554840 /nfs/dbraw/zinc/55/48/40/570554840.db2.gz NIYPDTOKYLOEPL-UHFFFAOYSA-N 1 0 398.550 4.996 40 0 GJABRO FC(F)(F)c1cc(NC(=S)NCCC[NH+]2CCCCC2)ccc1Cl ZINC000225409905 570570835 /nfs/dbraw/zinc/57/08/35/570570835.db2.gz DLEIUPUBSRFWKD-UHFFFAOYSA-N 1 0 379.879 4.521 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225623394 570595645 /nfs/dbraw/zinc/59/56/45/570595645.db2.gz ONEJTXUSUMKGRC-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225689022 570603810 /nfs/dbraw/zinc/60/38/10/570603810.db2.gz NKCYYBFGCZIZKG-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO C[C@H]([NH2+]Cc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 ZINC000012238331 570629611 /nfs/dbraw/zinc/62/96/11/570629611.db2.gz ZCUVRABTLQXCGS-SFHVURJKSA-N 1 0 390.483 4.673 40 0 GJABRO Clc1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000004858621 570639199 /nfs/dbraw/zinc/63/91/99/570639199.db2.gz FDCJKPNIWXLCIS-UHFFFAOYSA-N 1 0 399.951 4.561 40 0 GJABRO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1Cl ZINC000004888136 570642662 /nfs/dbraw/zinc/64/26/62/570642662.db2.gz YXRVMTSYWONUII-IHWFROFDSA-N 1 0 382.935 4.964 40 0 GJABRO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000004883130 570642802 /nfs/dbraw/zinc/64/28/02/570642802.db2.gz SGSXADHCDGJSNU-SEJPIABJSA-N 1 0 397.494 4.542 40 0 GJABRO COc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 ZINC000004887954 570642864 /nfs/dbraw/zinc/64/28/64/570642864.db2.gz FJJZIDAYYKUCTC-FRIKZZABSA-N 1 0 393.531 4.711 40 0 GJABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044932263 570643682 /nfs/dbraw/zinc/64/36/82/570643682.db2.gz ZBUXUXBPHSKZFJ-LJQANCHMSA-N 1 0 380.532 4.636 40 0 GJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)cc1 ZINC000044936478 570644239 /nfs/dbraw/zinc/64/42/39/570644239.db2.gz SQEYHTYWVMSQQD-HSZRJFAPSA-N 1 0 380.532 4.808 40 0 GJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2c(C)[nH]c3c2cccc3C)CC1 ZINC000012344569 570645125 /nfs/dbraw/zinc/64/51/25/570645125.db2.gz IXLVUNLPPWWRSG-UHFFFAOYSA-N 1 0 393.506 4.551 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260816775 570707655 /nfs/dbraw/zinc/70/76/55/570707655.db2.gz QFZTUPYGHLVHMF-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO Cc1ncsc1C[NH+]1CCC2(CC1)Oc1cc(C)ccc1[C@H]1OCCC[C@@H]12 ZINC000257328025 570782340 /nfs/dbraw/zinc/78/23/40/570782340.db2.gz XDUVUSGUIOKMNT-GHTZIAJQSA-N 1 0 384.545 4.655 40 0 GJABRO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332617 570788259 /nfs/dbraw/zinc/78/82/59/570788259.db2.gz OGIYFFLVAIINJE-UHFFFAOYSA-N 1 0 388.964 4.599 40 0 GJABRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000036612739 570885531 /nfs/dbraw/zinc/88/55/31/570885531.db2.gz OAPHGFYDDKEAOS-QGZVFWFLSA-N 1 0 384.520 4.545 40 0 GJABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)s1 ZINC000585100735 570925295 /nfs/dbraw/zinc/92/52/95/570925295.db2.gz UYFFINDMWBNBDM-QHCPKHFHSA-N 1 0 397.588 4.616 40 0 GJABRO Cc1cc(C)cc(C(=O)N[C@@H]2CC3(CC[NH+](C(C)C)CC3)Oc3ccccc32)c1 ZINC000585105947 570935468 /nfs/dbraw/zinc/93/54/68/570935468.db2.gz UDCZFDNRFVGWOX-JOCHJYFZSA-N 1 0 392.543 4.800 40 0 GJABRO Cc1ccnc(-n2cccc2C[N@H+](CCc2ccccc2)Cc2ccncc2)c1 ZINC000019238216 570967828 /nfs/dbraw/zinc/96/78/28/570967828.db2.gz GANKSMYXOVLWDF-UHFFFAOYSA-N 1 0 382.511 4.821 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)CC2)c1 ZINC000222974673 222620670 /nfs/dbraw/zinc/62/06/70/222620670.db2.gz AFROBNVTSPNDEP-HXUWFJFHSA-N 1 0 390.571 4.963 40 0 GJABRO COc1ccccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439950 212116725 /nfs/dbraw/zinc/11/67/25/212116725.db2.gz BCVSTRYZAONCLL-RPBOFIJWSA-N 1 0 386.539 4.843 40 0 GJABRO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CC2)[nH+]1 ZINC000329032277 206242610 /nfs/dbraw/zinc/24/26/10/206242610.db2.gz QOLTXQLSWHOJLQ-UHFFFAOYSA-N 1 0 392.425 4.636 40 0 GJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC000019081612 207103046 /nfs/dbraw/zinc/10/30/46/207103046.db2.gz ILWJSGQDGPNAHN-NJDAHSKKSA-N 1 0 388.621 4.991 40 0 GJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220496 207107082 /nfs/dbraw/zinc/10/70/82/207107082.db2.gz COYODWOZHBGIFS-UHFFFAOYSA-N 1 0 394.490 4.816 40 0 GJABRO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](C3CCCC3)CC[C@@H]21 ZINC000019368986 207119113 /nfs/dbraw/zinc/11/91/13/207119113.db2.gz CEJXOXVBEHGVDY-FKBYEOEOSA-N 1 0 380.557 4.621 40 0 GJABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](C3CCCC3)CC[C@H]21 ZINC000019406598 207122748 /nfs/dbraw/zinc/12/27/48/207122748.db2.gz BZRMZXGNSTXBPT-YPAWHYETSA-N 1 0 386.605 4.887 40 0 GJABRO c1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072377982 208008049 /nfs/dbraw/zinc/00/80/49/208008049.db2.gz WBGDTAVOHUUXPX-NRFANRHFSA-N 1 0 382.471 4.501 40 0 GJABRO Cc1nnc(Nc2cccc(C3CC[NH+](Cc4cccc(C)c4)CC3)n2)s1 ZINC000072376156 208008661 /nfs/dbraw/zinc/00/86/61/208008661.db2.gz HVRZUVFOUUQFJP-UHFFFAOYSA-N 1 0 379.533 4.673 40 0 GJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000096071321 208259739 /nfs/dbraw/zinc/25/97/39/208259739.db2.gz AJEBRTIJKUNDNG-QHCPKHFHSA-N 1 0 382.935 4.540 40 0 GJABRO CCOc1c(Br)cc(C[NH2+]C2C3CC4CC(C3)CC2C4)cc1OC ZINC000008253331 208725706 /nfs/dbraw/zinc/72/57/06/208725706.db2.gz OOPXWIKTDIEOFO-UHFFFAOYSA-N 1 0 394.353 4.771 40 0 GJABRO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C ZINC000012345316 221184106 /nfs/dbraw/zinc/18/41/06/221184106.db2.gz BQKKSVWAFAUGSN-SVGJNIJCSA-N 1 0 399.506 4.636 40 0 GJABRO Cc1ccsc1C[N@H+](Cc1c(C)nn(-c2ccccc2C)c1C)C[C@H](C)O ZINC000012185450 221164174 /nfs/dbraw/zinc/16/41/74/221164174.db2.gz VJILNGIJTZUZLT-KRWDZBQOSA-N 1 0 383.561 4.550 40 0 GJABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2cccc3cccnc32)cc1OC ZINC000013989953 221296321 /nfs/dbraw/zinc/29/63/21/221296321.db2.gz MFMQUTQNIGQBBY-UHFFFAOYSA-N 1 0 399.494 4.849 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000016227444 221359419 /nfs/dbraw/zinc/35/94/19/221359419.db2.gz NOVGBRTXQJUPMY-UHFFFAOYSA-N 1 0 377.484 4.615 40 0 GJABRO C=Cn1ncc(C[NH+]2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)c1C ZINC000019127198 221398191 /nfs/dbraw/zinc/39/81/91/221398191.db2.gz NKZMUSBECJAUIH-UHFFFAOYSA-N 1 0 376.504 4.537 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccs3)cc2)cc1OC ZINC000008493620 533498186 /nfs/dbraw/zinc/49/81/86/533498186.db2.gz USRBUGAZRHOHQF-UHFFFAOYSA-N 1 0 383.513 4.677 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625967 136187255 /nfs/dbraw/zinc/18/72/55/136187255.db2.gz RCVKDZZHCJEXJC-UHFFFAOYSA-N 1 0 395.522 4.667 40 0 GJABRO Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000072370034 222241306 /nfs/dbraw/zinc/24/13/06/222241306.db2.gz YBLLKULAZVMDPK-HSZRJFAPSA-N 1 0 378.495 4.965 40 0 GJABRO c1cnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376044 222242472 /nfs/dbraw/zinc/24/24/72/222242472.db2.gz JGIAXNJCHDCBIH-FQEVSTJZSA-N 1 0 396.498 4.543 40 0 GJABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c1OC ZINC000072390099 222246124 /nfs/dbraw/zinc/24/61/24/222246124.db2.gz APPIUCMPMYRERG-MRXNPFEDSA-N 1 0 399.516 4.503 40 0 GJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21)NCC1CC1 ZINC000096052662 222375621 /nfs/dbraw/zinc/37/56/21/222375621.db2.gz SJWQMZRRPZXUMB-IBGZPJMESA-N 1 0 394.584 4.686 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000039751050 534811880 /nfs/dbraw/zinc/81/18/80/534811880.db2.gz IHHIUBAWPTUMSJ-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO COc1ccc2c(c1Oc1ccccc1)[C@]13CC[N@H+](C)[C@H](C2)C1=CC=C(OC)C3 ZINC000253505528 560037440 /nfs/dbraw/zinc/03/74/40/560037440.db2.gz WZTKOQWLQWUDKG-BWKNWUBXSA-N 1 0 389.495 4.846 40 0 biogenic,in-vitro GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000004758127 560199909 /nfs/dbraw/zinc/19/99/09/560199909.db2.gz JYBLPRVSUYUPPM-USQBOPSSSA-N 1 0 385.592 4.878 40 0 in-vitro GJABRO CC(C)c1ccc([C@@H](C)NC(=O)CC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000019748204 570214248 /nfs/dbraw/zinc/21/42/48/570214248.db2.gz MMNVJZPPGAWLHR-LJQANCHMSA-N 1 0 379.548 4.685 40 0 GJABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270089 570238569 /nfs/dbraw/zinc/23/85/69/570238569.db2.gz DTXWDZPQVCBUKL-QHCPKHFHSA-N 1 0 382.479 4.757 40 0 GJABRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076885 570320966 /nfs/dbraw/zinc/32/09/66/570320966.db2.gz FIDVHXZAKYEHDZ-NTKDMRAZSA-N 1 0 391.511 4.876 40 0 GJABRO COc1cc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107671 570325649 /nfs/dbraw/zinc/32/56/49/570325649.db2.gz UNECLYAUMKSQFN-UQBPGWFLSA-N 1 0 391.511 4.528 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(CO)c4)n3)C2)cc1 ZINC000072348597 570339106 /nfs/dbraw/zinc/33/91/06/570339106.db2.gz NHFOECKMRASVEC-QFIPXVFZSA-N 1 0 388.511 4.629 40 0 GJABRO O=C(c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1)N1CCCc2ccccc21 ZINC000022913893 570378964 /nfs/dbraw/zinc/37/89/64/570378964.db2.gz RJNIKIFOMYUPOO-UHFFFAOYSA-N 1 0 382.507 4.838 40 0 GJABRO CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000004887945 570415619 /nfs/dbraw/zinc/41/56/19/570415619.db2.gz DIUYXOZZHBREHZ-FRIKZZABSA-N 1 0 396.506 4.540 40 0 GJABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000222899620 570430793 /nfs/dbraw/zinc/43/07/93/570430793.db2.gz QARILUHVBOUCTI-UHFFFAOYSA-N 1 0 390.578 4.524 40 0 GJABRO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039762888 570446183 /nfs/dbraw/zinc/44/61/83/570446183.db2.gz UHMFDCACKQFNCC-GOSISDBHSA-N 1 0 384.951 4.690 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000223224577 570451091 /nfs/dbraw/zinc/45/10/91/570451091.db2.gz XVNLAMCWQFVPAU-KRWDZBQOSA-N 1 0 396.962 4.918 40 0 GJABRO C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC=C3C[C@H](O)CC[C@]32C)O[C@@]12CC[C@@H](C)C[NH2+]2 ZINC000253590296 570484186 /nfs/dbraw/zinc/48/41/86/570484186.db2.gz FNIVMUUUMKIEAO-RBYHLORJSA-N 1 0 399.619 4.897 40 0 GJABRO CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006617276 570485221 /nfs/dbraw/zinc/48/52/21/570485221.db2.gz RLOYQHMWSVMPSX-WBJOIXBTSA-N 1 0 385.592 4.533 40 0 GJABRO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@]2(O)C[NH2+]Cc1ccccc1 ZINC000006933030 570499463 /nfs/dbraw/zinc/49/94/63/570499463.db2.gz HKQCBICFBAZMCN-RXBPMRIASA-N 1 0 391.555 4.769 40 0 GJABRO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030944150 570501742 /nfs/dbraw/zinc/50/17/42/570501742.db2.gz DIDVEXUDIXOIBX-DEOSSOPVSA-N 1 0 384.523 4.804 40 0 GJABRO COc1ccc(C[NH2+]Cc2ccc(OCCc3ccccc3)c(OC)c2)cc1 ZINC000007540244 570508033 /nfs/dbraw/zinc/50/80/33/570508033.db2.gz DSFWQTWONKJMNW-UHFFFAOYSA-N 1 0 377.484 4.615 40 0 GJABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683533 570524400 /nfs/dbraw/zinc/52/44/00/570524400.db2.gz AZDKIRIKMJWNHU-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO CCc1ccc(O[C@H](CC)C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224849815 570534124 /nfs/dbraw/zinc/53/41/24/570534124.db2.gz VQVDKYCHRDOKPG-XMMPIXPASA-N 1 0 394.559 4.709 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225619435 570595323 /nfs/dbraw/zinc/59/53/23/570595323.db2.gz FXFJOGWUNABMSE-XXBNENTESA-N 1 0 390.568 4.721 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000225699504 570605567 /nfs/dbraw/zinc/60/55/67/570605567.db2.gz HWMQADQPAWGXRU-UHFFFAOYSA-N 1 0 378.560 4.973 40 0 GJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000225699208 570605641 /nfs/dbraw/zinc/60/56/41/570605641.db2.gz MYCDEBUDJMHQMK-CVDCTZTESA-N 1 0 390.568 4.864 40 0 GJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225734267 570610697 /nfs/dbraw/zinc/61/06/97/570610697.db2.gz SXIFHUYEXVLNCI-QFIPXVFZSA-N 1 0 378.557 4.577 40 0 GJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225734431 570610625 /nfs/dbraw/zinc/61/06/25/570610625.db2.gz KRMSHDBOGBUAPW-HSZRJFAPSA-N 1 0 390.568 4.721 40 0 GJABRO Cc1cc(-c2cnc(NC3CC[NH+](Cc4ccccc4)CC3)nc2C(C)C)on1 ZINC000012186856 570621396 /nfs/dbraw/zinc/62/13/96/570621396.db2.gz CFDWOGMGNTWLDW-UHFFFAOYSA-N 1 0 391.519 4.640 40 0 GJABRO CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044857202 570637188 /nfs/dbraw/zinc/63/71/88/570637188.db2.gz RIGIYPSKCMUBGV-NTCAYCPXSA-N 1 0 376.544 4.910 40 0 GJABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 ZINC000044856493 570637291 /nfs/dbraw/zinc/63/72/91/570637291.db2.gz KBHAMXYOIWBQCC-GGAORHGYSA-N 1 0 382.523 4.922 40 0 GJABRO Cc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044909400 570642201 /nfs/dbraw/zinc/64/22/01/570642201.db2.gz ULDRDISZWDERRJ-NRFANRHFSA-N 1 0 384.951 4.609 40 0 GJABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000044910219 570642407 /nfs/dbraw/zinc/64/24/07/570642407.db2.gz RTPOOGUUTGFYTQ-INIZCTEOSA-N 1 0 377.315 4.868 40 0 GJABRO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1 ZINC000004888140 570642538 /nfs/dbraw/zinc/64/25/38/570642538.db2.gz WKXQXTNZXKIBOU-SEJPIABJSA-N 1 0 382.935 4.964 40 0 GJABRO CC(C)C[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000044936900 570644323 /nfs/dbraw/zinc/64/43/23/570644323.db2.gz VVRGCOJKJQKNOE-QHCPKHFHSA-N 1 0 382.523 4.941 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812355 570707309 /nfs/dbraw/zinc/70/73/09/570707309.db2.gz ASDCRBYWEXGYHB-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818230 570708770 /nfs/dbraw/zinc/70/87/70/570708770.db2.gz YFWBUUGCLCQBOF-WMZHIEFXSA-N 1 0 390.568 4.721 40 0 GJABRO COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006627307 570747799 /nfs/dbraw/zinc/74/77/99/570747799.db2.gz INBJYUMQXQZWJY-UHFFFAOYSA-N 1 0 379.287 4.850 40 0 GJABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)c1 ZINC000007540738 570760565 /nfs/dbraw/zinc/76/05/65/570760565.db2.gz IYAXIBJXJXPANC-UHFFFAOYSA-N 1 0 399.487 4.722 40 0 GJABRO O=C(NCCSCc1ccccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010339007 570789757 /nfs/dbraw/zinc/78/97/57/570789757.db2.gz PMMDKJVKBFYJRK-UHFFFAOYSA-N 1 0 388.964 4.599 40 0 GJABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@H+](CC(c4ccccc4)c4ccccc4)C[C@@H]32)nc1 ZINC000019215741 570961862 /nfs/dbraw/zinc/96/18/62/570961862.db2.gz JBWTUVQNZDOIGK-NRRYGQPISA-N 1 0 398.550 4.752 40 0 GJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019400454 570982438 /nfs/dbraw/zinc/98/24/38/570982438.db2.gz ANZNQKFCIDZDIG-FBLLAGFSSA-N 1 0 395.591 4.888 40 0 GJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1OC ZINC000019454152 570986458 /nfs/dbraw/zinc/98/64/58/570986458.db2.gz LQAOHYIBEYHTOU-VKGYTVAMSA-N 1 0 395.547 4.679 40 0 GJABRO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000019524921 570996733 /nfs/dbraw/zinc/99/67/33/570996733.db2.gz JMPYGEJANCLVON-NRFANRHFSA-N 1 0 380.492 4.684 40 0 GJABRO COc1ccc(C2([NH2+]Cc3c(C)n(CCO)c4ccccc34)CCCC2)cc1 ZINC000019581929 571013465 /nfs/dbraw/zinc/01/34/65/571013465.db2.gz IECTZYSMXYODOA-UHFFFAOYSA-N 1 0 378.516 4.510 40 0 GJABRO COc1cc(C)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(C)C ZINC000224520547 222657661 /nfs/dbraw/zinc/65/76/61/222657661.db2.gz MJBOVZIQTYMKLX-UHFFFAOYSA-N 1 0 380.532 4.653 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000224921933 222665736 /nfs/dbraw/zinc/66/57/36/222665736.db2.gz YSLCALKXZBEOBL-LJQANCHMSA-N 1 0 377.532 4.771 40 0 GJABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCCCC1 ZINC000225630979 222688078 /nfs/dbraw/zinc/68/80/78/222688078.db2.gz ISLRXAQJKMJNBC-UHFFFAOYSA-N 1 0 388.552 4.619 40 0 GJABRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740435 207077066 /nfs/dbraw/zinc/07/70/66/207077066.db2.gz PAQFOXWZZIFJAB-SFHVURJKSA-N 1 0 390.531 4.537 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081706 207102847 /nfs/dbraw/zinc/10/28/47/207102847.db2.gz LRGFKSWVIAQCKE-JTHBVZDNSA-N 1 0 393.575 4.772 40 0 GJABRO Fc1ccc(-n2cc(C[N@H+](CCc3ccccc3)Cc3ccncc3)cn2)cc1 ZINC000019371161 207119304 /nfs/dbraw/zinc/11/93/04/207119304.db2.gz NCSDZTZMKLOHNA-UHFFFAOYSA-N 1 0 386.474 4.651 40 0 GJABRO CCOc1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC ZINC000019531803 207129705 /nfs/dbraw/zinc/12/97/05/207129705.db2.gz BPFAWRYIYYIWST-SFHVURJKSA-N 1 0 379.504 4.658 40 0 GJABRO O=C(CC1CC[NH+](Cc2ccccn2)CC1)Nc1ccc(OC2CCCC2)cc1 ZINC000019748165 207157106 /nfs/dbraw/zinc/15/71/06/207157106.db2.gz XPSAPPVSJJIDJR-UHFFFAOYSA-N 1 0 393.531 4.644 40 0 GJABRO Cc1ccccc1CSCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020450212 207193130 /nfs/dbraw/zinc/19/31/30/207193130.db2.gz CKZCRYYHUWHNIA-UHFFFAOYSA-N 1 0 396.600 4.890 40 0 GJABRO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000030944147 207378396 /nfs/dbraw/zinc/37/83/96/207378396.db2.gz DIDVEXUDIXOIBX-XMMPIXPASA-N 1 0 384.523 4.804 40 0 GJABRO C[C@@H](C[N@@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000072352778 208000087 /nfs/dbraw/zinc/00/00/87/208000087.db2.gz UOPJJORNGHLBHK-ICSRJNTNSA-N 1 0 395.547 4.720 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353981 208001832 /nfs/dbraw/zinc/00/18/32/208001832.db2.gz AUEGDZMJTOTZPO-NRFANRHFSA-N 1 0 392.522 4.541 40 0 GJABRO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358588 208003544 /nfs/dbraw/zinc/00/35/44/208003544.db2.gz DAZKYMHURASUOM-SFHVURJKSA-N 1 0 398.432 4.937 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379123 208011193 /nfs/dbraw/zinc/01/11/93/208011193.db2.gz MVHIAGSPBUYBGR-HXUWFJFHSA-N 1 0 390.531 4.779 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)o1 ZINC000096052752 208254856 /nfs/dbraw/zinc/25/48/56/208254856.db2.gz IAOWQCWPUPIZPM-LJQANCHMSA-N 1 0 392.543 4.668 40 0 GJABRO C[C@@H]([NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534865 208725771 /nfs/dbraw/zinc/72/57/71/208725771.db2.gz KFQMVQZMIDKOFA-PYZOSGAUSA-N 1 0 398.591 4.675 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)/C(=C/c1ccco1)c1ccccc1 ZINC000224591937 208929766 /nfs/dbraw/zinc/92/97/66/208929766.db2.gz DKXCYGSNICDFCC-JJIBRWJFSA-N 1 0 386.495 4.732 40 0 GJABRO COc1ccc(C[NH2+]Cc2ccc(OCc3ccc(Cl)nc3)c(OC)c2)cc1 ZINC000007538594 221001533 /nfs/dbraw/zinc/00/15/33/221001533.db2.gz WLLLLRLPVWCUOL-UHFFFAOYSA-N 1 0 398.890 4.621 40 0 GJABRO COc1ccc(C2([NH2+]Cc3c[nH]nc3-c3cccc(OC)c3)CCCC2)cc1 ZINC000012143844 221158998 /nfs/dbraw/zinc/15/89/98/221158998.db2.gz WETWMRDDPMXMHR-UHFFFAOYSA-N 1 0 377.488 4.653 40 0 GJABRO CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CC[NH+](C(C)C)CC1 ZINC000257301998 209071392 /nfs/dbraw/zinc/07/13/92/209071392.db2.gz SAXUKEANGAALFJ-UHFFFAOYSA-N 1 0 382.523 4.662 40 0 GJABRO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccccc3)C2)[nH+]1 ZINC000257311710 209072163 /nfs/dbraw/zinc/07/21/63/209072163.db2.gz UKRPWTLEBJOQRB-SFHVURJKSA-N 1 0 375.447 4.902 40 0 GJABRO O=C(Nc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096625611 136187334 /nfs/dbraw/zinc/18/73/34/136187334.db2.gz GIGQLVKHBBCETA-UHFFFAOYSA-N 1 0 395.522 4.667 40 0 GJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872515 221954906 /nfs/dbraw/zinc/95/49/06/221954906.db2.gz VOKDAARIINHWCK-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000072392525 222248777 /nfs/dbraw/zinc/24/87/77/222248777.db2.gz PTMDSZULALRAOX-IQOKHDRSSA-N 1 0 392.474 4.519 40 0 GJABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000072392526 222249043 /nfs/dbraw/zinc/24/90/43/222249043.db2.gz NOKHZTVSSXYTMM-VNZMSGEBSA-N 1 0 392.474 4.519 40 0 GJABRO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000072320804 560077334 /nfs/dbraw/zinc/07/73/34/560077334.db2.gz GILBSEJPUHJENU-ZJOUEHCJSA-N 1 0 381.564 4.729 40 0 biogenic,in-vitro GJABRO Cc1cnc(Nc2cc(CC3CC[NH+](Cc4ccc(C)nc4)CC3)ccn2)s1 ZINC000585262774 570230490 /nfs/dbraw/zinc/23/04/90/570230490.db2.gz DVNVVXHBCZPEGO-UHFFFAOYSA-N 1 0 393.560 4.748 40 0 GJABRO C[N@@H+]1CCC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585263057 570231233 /nfs/dbraw/zinc/23/12/33/570231233.db2.gz XWVWLNRLKPZSLH-MRXNPFEDSA-N 1 0 382.508 4.972 40 0 GJABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020492118 570263091 /nfs/dbraw/zinc/26/30/91/570263091.db2.gz DBWYYRGEHNUUHU-FQEVSTJZSA-N 1 0 394.559 4.680 40 0 GJABRO C[C@H]1CCC[C@H]([N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569776 570268603 /nfs/dbraw/zinc/26/86/03/570268603.db2.gz UWADVROSAKPYEC-ZTCOLXNVSA-N 1 0 382.592 4.758 40 0 GJABRO CCOc1cc(C[NH2+]CCc2ccc(F)cc2)cc(Br)c1OCC ZINC000022074648 570304802 /nfs/dbraw/zinc/30/48/02/570304802.db2.gz ALBRFANDADABNG-UHFFFAOYSA-N 1 0 396.300 4.718 40 0 GJABRO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(C)cc2)cc1 ZINC000004887979 570415649 /nfs/dbraw/zinc/41/56/49/570415649.db2.gz XFOGBLJIRIVPMT-FRIKZZABSA-N 1 0 393.531 4.711 40 0 GJABRO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000222602089 570416374 /nfs/dbraw/zinc/41/63/74/570416374.db2.gz VPBHXVUCAGQVSY-HSZRJFAPSA-N 1 0 396.550 4.910 40 0 GJABRO CC(C)(Cc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000222667301 570419649 /nfs/dbraw/zinc/41/96/49/570419649.db2.gz BHYIGVMESJRISZ-UHFFFAOYSA-N 1 0 384.951 4.690 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@@](O)(C1CCCCC1)[C@@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047938 570425847 /nfs/dbraw/zinc/42/58/47/570425847.db2.gz KGSXORVANNQUIT-QNTNZKOWSA-N 1 0 381.601 4.501 40 0 GJABRO CCC(=O)OC1(c2ccccc2)CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000005046331 570425925 /nfs/dbraw/zinc/42/59/25/570425925.db2.gz OABMFFJUPVFTDD-UHFFFAOYSA-N 1 0 379.500 4.594 40 0 GJABRO C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992926 570435806 /nfs/dbraw/zinc/43/58/06/570435806.db2.gz RAEZAAZRMUJZOP-WZONZLPQSA-N 1 0 394.534 4.794 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000039772654 570446607 /nfs/dbraw/zinc/44/66/07/570446607.db2.gz MYSKLEGNPAXCTL-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)cc1 ZINC000226308357 570459380 /nfs/dbraw/zinc/45/93/80/570459380.db2.gz QJSVKELNXOYVSJ-UHFFFAOYSA-N 1 0 384.228 4.732 40 0 GJABRO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260408936 570480273 /nfs/dbraw/zinc/48/02/73/570480273.db2.gz TWYOXYUIWIIMBY-IEBWSBKVSA-N 1 0 383.001 4.982 40 0 GJABRO O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224519949 570516383 /nfs/dbraw/zinc/51/63/83/570516383.db2.gz VLDCOUUIDJDKDA-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224640549 570521949 /nfs/dbraw/zinc/52/19/49/570521949.db2.gz QZYSEBKOFXJTIW-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO COc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl ZINC000008471671 570532453 /nfs/dbraw/zinc/53/24/53/570532453.db2.gz IQCKLWWMHYBNGR-KRWDZBQOSA-N 1 0 396.314 4.850 40 0 GJABRO O=C(Nc1ccc(N2CCCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224926498 570538255 /nfs/dbraw/zinc/53/82/55/570538255.db2.gz DNPHFLHELGDHJV-UHFFFAOYSA-N 1 0 397.950 4.791 40 0 GJABRO Cc1cccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1Cl ZINC000225229881 570558154 /nfs/dbraw/zinc/55/81/54/570558154.db2.gz JKXVNFCIUXLLOB-UHFFFAOYSA-N 1 0 379.982 4.661 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000035818579 570558282 /nfs/dbraw/zinc/55/82/82/570558282.db2.gz NBGNLNNEXSPENR-UHFFFAOYSA-N 1 0 390.449 4.867 40 0 GJABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccccc2F)CCCC1 ZINC000225515643 570582698 /nfs/dbraw/zinc/58/26/98/570582698.db2.gz PGYCSNXDWILEAF-UHFFFAOYSA-N 1 0 396.506 4.751 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832901 570584576 /nfs/dbraw/zinc/58/45/76/570584576.db2.gz YJGAPRNRIBZISL-GOSISDBHSA-N 1 0 391.342 4.864 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832906 570584720 /nfs/dbraw/zinc/58/47/20/570584720.db2.gz ZEZJHYHGZRDWJA-KRWDZBQOSA-N 1 0 391.342 4.864 40 0 GJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000225699625 570605623 /nfs/dbraw/zinc/60/56/23/570605623.db2.gz YFHLWGKDTWLZNR-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225731110 570610152 /nfs/dbraw/zinc/61/01/52/570610152.db2.gz NSTWCSJPGHITCT-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225734397 570610711 /nfs/dbraw/zinc/61/07/11/570610711.db2.gz KRMSHDBOGBUAPW-QHCPKHFHSA-N 1 0 390.568 4.721 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225738869 570611704 /nfs/dbraw/zinc/61/17/04/570611704.db2.gz CRZRIEWQZDNOLT-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225744901 570612278 /nfs/dbraw/zinc/61/22/78/570612278.db2.gz BLCGXQAOZYSLNA-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO O=C(NCCC[NH+]1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225777942 570616334 /nfs/dbraw/zinc/61/63/34/570616334.db2.gz VHRVUGKFTSWFDQ-UHFFFAOYSA-N 1 0 386.923 4.525 40 0 GJABRO C[NH+](C)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004214932 570623162 /nfs/dbraw/zinc/62/31/62/570623162.db2.gz KGUZRVWUOOZVMN-UHFFFAOYSA-N 1 0 389.908 4.655 40 0 GJABRO Fc1ccc(C[N@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 ZINC000004887936 570642565 /nfs/dbraw/zinc/64/25/65/570642565.db2.gz BLBVCNXVLVKROY-SEJPIABJSA-N 1 0 389.584 4.508 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)CC2)cc1 ZINC000044918347 570643276 /nfs/dbraw/zinc/64/32/76/570643276.db2.gz JUNJTDLZLGKMCA-JOCHJYFZSA-N 1 0 392.543 4.626 40 0 GJABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000044937232 570644290 /nfs/dbraw/zinc/64/42/90/570644290.db2.gz NNSCVDGDCZOQCU-XMMPIXPASA-N 1 0 394.559 4.811 40 0 GJABRO CC[N@H+](Cc1nc(-c2cccnc2OC2CCCCC2)no1)C1CCCCC1 ZINC000012365417 570646767 /nfs/dbraw/zinc/64/67/67/570646767.db2.gz VRJZQRZIZHMCMX-UHFFFAOYSA-N 1 0 384.524 4.998 40 0 GJABRO Cc1ccc(C)c(C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000004968174 570654742 /nfs/dbraw/zinc/65/47/42/570654742.db2.gz KFUPGQOSSXHKHM-UHFFFAOYSA-N 1 0 388.437 4.904 40 0 GJABRO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c1 ZINC000005625956 570665348 /nfs/dbraw/zinc/66/53/48/570665348.db2.gz YVHCVBKPGGBRNU-UHFFFAOYSA-N 1 0 396.922 4.651 40 0 GJABRO C[NH+](C)CCCN(C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 ZINC000006679674 570673780 /nfs/dbraw/zinc/67/37/80/570673780.db2.gz UZOZSTJOHYSOBO-UHFFFAOYSA-N 1 0 383.492 4.548 40 0 GJABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057139448 570701160 /nfs/dbraw/zinc/70/11/60/570701160.db2.gz XXBBTSMGOPOYMB-UHFFFAOYSA-N 1 0 385.511 4.523 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260814747 570707690 /nfs/dbraw/zinc/70/76/90/570707690.db2.gz NBYZTEJFSXBZJX-AUSIDOKSSA-N 1 0 390.568 4.864 40 0 GJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260814478 570707939 /nfs/dbraw/zinc/70/79/39/570707939.db2.gz JJYISHUFBGRJHJ-CVDCTZTESA-N 1 0 390.568 4.721 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cn1 ZINC000257336000 570783483 /nfs/dbraw/zinc/78/34/83/570783483.db2.gz YMSODPVZUCHHNH-RBBKRZOGSA-N 1 0 398.934 4.938 40 0 GJABRO O=C(NCCSCc1cccc(Cl)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010328790 570789319 /nfs/dbraw/zinc/78/93/19/570789319.db2.gz ISDNUIVXYWQYJX-UHFFFAOYSA-N 1 0 388.964 4.599 40 0 GJABRO COc1ccc(C[N@@H+](Cc2ccncc2)C[C@H](C)c2ccccc2)cc1OC ZINC000013989942 570868309 /nfs/dbraw/zinc/86/83/09/570868309.db2.gz NSLVFAPXVHMTQG-IBGZPJMESA-N 1 0 376.500 4.905 40 0 GJABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100594 570924788 /nfs/dbraw/zinc/92/47/88/570924788.db2.gz OZFAVUAHRUVFPS-JOCHJYFZSA-N 1 0 389.609 4.687 40 0 GJABRO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019454624 570925952 /nfs/dbraw/zinc/92/59/52/570925952.db2.gz TYYIDXYYJUXZQL-GOSISDBHSA-N 1 0 397.548 4.519 40 0 GJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2c(C)nn(-c3ccccc3C)c2C)on1 ZINC000019237588 570967438 /nfs/dbraw/zinc/96/74/38/570967438.db2.gz DIZYHATZHXRYBC-SIKLNZKXSA-N 1 0 378.520 4.595 40 0 GJABRO Fc1ccc([C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000019293771 570973193 /nfs/dbraw/zinc/97/31/93/570973193.db2.gz MGCRSPYOIKJTIS-XZOQPEGZSA-N 1 0 380.438 4.545 40 0 GJABRO Cc1cc(-c2cncnc2)cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000019692176 571029796 /nfs/dbraw/zinc/02/97/96/571029796.db2.gz CCHAAKZSTKOERK-UHFFFAOYSA-N 1 0 395.510 4.775 40 0 GJABRO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408610700 231078273 /nfs/dbraw/zinc/07/82/73/231078273.db2.gz ROEIWOOYQMQPFS-GOSISDBHSA-N 1 0 389.326 4.656 40 0 GJABRO CCCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000224332349 222654836 /nfs/dbraw/zinc/65/48/36/222654836.db2.gz BUFVBNHSERIWFP-UHFFFAOYSA-N 1 0 394.559 4.680 40 0 GJABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)CCC[C@@H](C)C1 ZINC000225662543 222688889 /nfs/dbraw/zinc/68/88/89/222688889.db2.gz WNNOTGYNUGVOHG-AUSIDOKSSA-N 1 0 390.568 4.721 40 0 GJABRO O[C@H]([C@@H](c1ccccc1)[NH+]1CCCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000001690377 212254390 /nfs/dbraw/zinc/25/43/90/212254390.db2.gz WCNZEPPRMMCDML-JWQCQUIFSA-N 1 0 387.523 4.511 40 0 GJABRO CC1(C)[C@@H]2CC[C@@]1(C)C[N@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000000626724 212166032 /nfs/dbraw/zinc/16/60/32/212166032.db2.gz DNUFRGCCNUMJNP-WYEJZRMESA-N 1 0 376.544 4.914 40 0 GJABRO COc1ccc([C@@H](C[NH+](C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001758869 206391640 /nfs/dbraw/zinc/39/16/40/206391640.db2.gz UCYAFVHTCDZUMO-HSZRJFAPSA-N 1 0 389.495 4.673 40 0 GJABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C(C)C)nc2)cc1OC ZINC000019454148 207124154 /nfs/dbraw/zinc/12/41/54/207124154.db2.gz LQAOHYIBEYHTOU-FUKQBSRTSA-N 1 0 395.547 4.679 40 0 GJABRO CCc1oc2ccccc2c1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000019521352 207126437 /nfs/dbraw/zinc/12/64/37/207126437.db2.gz VXFIGXLXWLUVBQ-UHFFFAOYSA-N 1 0 394.490 4.762 40 0 GJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406586 207122234 /nfs/dbraw/zinc/12/22/34/207122234.db2.gz AVSQJNUIJIPHQT-FKBYEOEOSA-N 1 0 386.605 4.745 40 0 GJABRO Cc1cc(C)c2nc(C)c(C(=O)N[C@H](CC[NH+](C)C)c3ccccc3)cc2c1 ZINC000019715322 207151798 /nfs/dbraw/zinc/15/17/98/207151798.db2.gz OKUDYHIRGVAOBT-JOCHJYFZSA-N 1 0 375.516 4.583 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 ZINC000020451173 207193836 /nfs/dbraw/zinc/19/38/36/207193836.db2.gz JVNMELXZKDRFDS-UHFFFAOYSA-N 1 0 387.321 4.933 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 ZINC000020456836 207194586 /nfs/dbraw/zinc/19/45/86/207194586.db2.gz MEAFZWXFMKKBEP-LJQANCHMSA-N 1 0 382.573 4.582 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 ZINC000020456837 207195078 /nfs/dbraw/zinc/19/50/78/207195078.db2.gz MEAFZWXFMKKBEP-IBGZPJMESA-N 1 0 382.573 4.582 40 0 GJABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020492116 207199680 /nfs/dbraw/zinc/19/96/80/207199680.db2.gz DBWYYRGEHNUUHU-HXUWFJFHSA-N 1 0 394.559 4.680 40 0 GJABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000022519629 207255014 /nfs/dbraw/zinc/25/50/14/207255014.db2.gz IHYDMWJGXHLWEQ-UHFFFAOYSA-N 1 0 394.559 4.680 40 0 GJABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000044852967 207639162 /nfs/dbraw/zinc/63/91/62/207639162.db2.gz HKPRYKSSUQBNGC-FQEVSTJZSA-N 1 0 380.532 4.568 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359811 208002696 /nfs/dbraw/zinc/00/26/96/208002696.db2.gz OZSZIHBJNKCKOO-KRWDZBQOSA-N 1 0 393.922 4.613 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)o1 ZINC000096052751 208254996 /nfs/dbraw/zinc/25/49/96/208254996.db2.gz IAOWQCWPUPIZPM-IBGZPJMESA-N 1 0 392.543 4.668 40 0 GJABRO c1coc(C[NH+]2CCC3(CC2)C[C@@H](NCc2ccoc2)c2ccccc2O3)c1 ZINC000096242821 208292876 /nfs/dbraw/zinc/29/28/76/208292876.db2.gz OIYBWIICQFOYGK-OAQYLSRUSA-N 1 0 378.472 4.521 40 0 GJABRO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccc(Cl)cc1Cl ZINC000224643017 208930520 /nfs/dbraw/zinc/93/05/20/208930520.db2.gz FDRYVCDIZPIXLW-UHFFFAOYSA-N 1 0 377.315 4.909 40 0 GJABRO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000008690317 221049491 /nfs/dbraw/zinc/04/94/91/221049491.db2.gz WBWVGGCUSNNYOF-YQQQUEKLSA-N 1 0 385.602 4.929 40 0 GJABRO CCn1nc(C)c(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000012186656 221163566 /nfs/dbraw/zinc/16/35/66/221163566.db2.gz OAQJZZINYRYZGG-UHFFFAOYSA-N 1 0 386.584 4.733 40 0 GJABRO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1OC ZINC000013989490 221294397 /nfs/dbraw/zinc/29/43/97/221294397.db2.gz FVYHFBPHNSXCMW-UHFFFAOYSA-N 1 0 396.918 4.997 40 0 GJABRO CCOc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044909991 221956796 /nfs/dbraw/zinc/95/67/96/221956796.db2.gz AMROAYIRTAGCFB-UHFFFAOYSA-N 1 0 394.559 4.824 40 0 GJABRO CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875277 221955248 /nfs/dbraw/zinc/95/52/48/221955248.db2.gz VUWCKVJHUGNTQN-HXUWFJFHSA-N 1 0 394.559 4.880 40 0 GJABRO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2)cc1 ZINC000072380049 222244601 /nfs/dbraw/zinc/24/46/01/222244601.db2.gz AFZVCANFGACJNF-NRFANRHFSA-N 1 0 390.531 4.539 40 0 GJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052666 222374501 /nfs/dbraw/zinc/37/45/01/222374501.db2.gz MSSUOKUHMJXOQE-FQEVSTJZSA-N 1 0 394.584 4.686 40 0 GJABRO Cc1ccc(SCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451930 570257328 /nfs/dbraw/zinc/25/73/28/570257328.db2.gz ZOGIKJRRMZCRBK-LJQANCHMSA-N 1 0 382.573 4.749 40 0 GJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000022075093 570305336 /nfs/dbraw/zinc/30/53/36/570305336.db2.gz GXZGYXXBIMFBTQ-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1Cl ZINC000022075184 570305357 /nfs/dbraw/zinc/30/53/57/570305357.db2.gz DQEBJIYNLNSJBQ-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO O=C(Nc1ccccc1)N1C[C@H]2C[N@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000107249611 570308946 /nfs/dbraw/zinc/30/89/46/570308946.db2.gz VGBVRAUDLWKVSQ-RCZVLFRGSA-N 1 0 397.522 4.667 40 0 GJABRO CCOc1cc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076361 570320883 /nfs/dbraw/zinc/32/08/83/570320883.db2.gz MTZMEPSUWXUKKI-SBUREZEXSA-N 1 0 397.540 4.938 40 0 GJABRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076884 570320920 /nfs/dbraw/zinc/32/09/20/570320920.db2.gz FIDVHXZAKYEHDZ-YADARESESA-N 1 0 391.511 4.876 40 0 GJABRO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044932899 570322584 /nfs/dbraw/zinc/32/25/84/570322584.db2.gz FSDONOWWWAUSTK-UGKGYDQZSA-N 1 0 382.935 4.746 40 0 GJABRO COc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1OCCc1ccccc1 ZINC000022107684 570325634 /nfs/dbraw/zinc/32/56/34/570325634.db2.gz UNECLYAUMKSQFN-CLOONOSVSA-N 1 0 391.511 4.528 40 0 GJABRO Oc1ccc(CC[NH2+]Cc2cc3sccc3n2Cc2ccc(F)cc2)cc1 ZINC000057719317 570371342 /nfs/dbraw/zinc/37/13/42/570371342.db2.gz NVBCBPAKXDFTNK-UHFFFAOYSA-N 1 0 380.488 4.928 40 0 GJABRO CCOc1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913774 570378906 /nfs/dbraw/zinc/37/89/06/570378906.db2.gz ZYADZBARXRUUER-UHFFFAOYSA-N 1 0 386.495 4.896 40 0 GJABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004883316 570415301 /nfs/dbraw/zinc/41/53/01/570415301.db2.gz PNZPGFYCLJMZHY-AYHJJNSGSA-N 1 0 399.560 4.854 40 0 GJABRO CC[NH+](CC)CCOC(=O)[C@](O)(C1CCCCC1)[C@@H]1[C@H](C)CC[C@H](C)[C@@H]1C ZINC000005047942 570425865 /nfs/dbraw/zinc/42/58/65/570425865.db2.gz KGSXORVANNQUIT-FFSTWTIQSA-N 1 0 381.601 4.501 40 0 GJABRO O=C(NCc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000222800578 570426516 /nfs/dbraw/zinc/42/65/16/570426516.db2.gz SHSKCJWKHFDJGA-UHFFFAOYSA-N 1 0 376.475 4.507 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000039772236 570446625 /nfs/dbraw/zinc/44/66/25/570446625.db2.gz QFZWYVISKMYOMZ-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO CCc1ccc(CC)c(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000223258481 570453809 /nfs/dbraw/zinc/45/38/09/570453809.db2.gz KPKKBDSWYKGKLG-UHFFFAOYSA-N 1 0 398.978 4.993 40 0 GJABRO CCC[C@H](C)c1ccc(OCCCCC[NH+]2CCN(C(=O)OCC)CC2)cc1 ZINC000006381240 570478237 /nfs/dbraw/zinc/47/82/37/570478237.db2.gz PMAADNDAJIXMNH-FQEVSTJZSA-N 1 0 390.568 4.913 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccccc2C(C)C)CC1 ZINC000223793123 570484679 /nfs/dbraw/zinc/48/46/79/570484679.db2.gz OCPGFOUATFOGPW-UHFFFAOYSA-N 1 0 394.559 4.526 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000223917642 570490136 /nfs/dbraw/zinc/49/01/36/570490136.db2.gz RNUBLTGWVAXDKE-INIZCTEOSA-N 1 0 390.449 4.867 40 0 GJABRO COc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OCc1ccccc1 ZINC000006882499 570498236 /nfs/dbraw/zinc/49/82/36/570498236.db2.gz CVAXCULECDDTFI-UHFFFAOYSA-N 1 0 378.310 4.925 40 0 GJABRO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943699 570501505 /nfs/dbraw/zinc/50/15/05/570501505.db2.gz UNWOBXVDRSACRZ-GHTZIAJQSA-N 1 0 384.951 4.690 40 0 GJABRO CCc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000224533447 570516843 /nfs/dbraw/zinc/51/68/43/570516843.db2.gz QJAZGRUJADBKNS-KRWDZBQOSA-N 1 0 384.951 4.992 40 0 GJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000224557374 570518614 /nfs/dbraw/zinc/51/86/14/570518614.db2.gz PAZBWEYSKDNDJI-UHFFFAOYSA-N 1 0 390.449 4.542 40 0 GJABRO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 ZINC000008253147 570525672 /nfs/dbraw/zinc/52/56/72/570525672.db2.gz KCNLRFHXTUCPQT-UHFFFAOYSA-N 1 0 377.912 4.834 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)CC1 ZINC000224921879 570538352 /nfs/dbraw/zinc/53/83/52/570538352.db2.gz SDPUIAMDCXQTEL-UHFFFAOYSA-N 1 0 377.532 4.771 40 0 GJABRO C[N@@H+]1CCC[C@@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000009876527 570561953 /nfs/dbraw/zinc/56/19/53/570561953.db2.gz WSJSILTXEANKKH-HNNXBMFYSA-N 1 0 389.952 4.761 40 0 GJABRO O=C(Nc1ccc(OCC[NH+]2CCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 ZINC000225519929 570583286 /nfs/dbraw/zinc/58/32/86/570583286.db2.gz MRUZMDBLWCWTAR-UHFFFAOYSA-N 1 0 396.506 4.751 40 0 GJABRO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832902 570584625 /nfs/dbraw/zinc/58/46/25/570584625.db2.gz YJGAPRNRIBZISL-SFHVURJKSA-N 1 0 391.342 4.864 40 0 GJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000038834024 570585867 /nfs/dbraw/zinc/58/58/67/570585867.db2.gz LBYVSTYOYOTZNH-UHFFFAOYSA-N 1 0 387.321 4.933 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 ZINC000038834920 570586291 /nfs/dbraw/zinc/58/62/91/570586291.db2.gz RVMXJGPEHOHGGT-HNNXBMFYSA-N 1 0 387.321 4.933 40 0 GJABRO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849386 570587770 /nfs/dbraw/zinc/58/77/70/570587770.db2.gz YNXDFTIXKWBIHV-HNNXBMFYSA-N 1 0 393.314 4.853 40 0 GJABRO O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000043729472 570630013 /nfs/dbraw/zinc/63/00/13/570630013.db2.gz JLRFFIWUJYMZBJ-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000044933002 570643876 /nfs/dbraw/zinc/64/38/76/570643876.db2.gz OVLRFYRORQPSGJ-QFIPXVFZSA-N 1 0 382.935 4.746 40 0 GJABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260812350 570707272 /nfs/dbraw/zinc/70/72/72/570707272.db2.gz ARBBDOMBESPRPC-LJQANCHMSA-N 1 0 388.552 4.618 40 0 GJABRO COc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000008470183 570770311 /nfs/dbraw/zinc/77/03/11/570770311.db2.gz XTGREGMEESTENQ-UHFFFAOYSA-N 1 0 396.712 4.942 40 0 GJABRO O=C(NCCC[NH+]1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000013671747 570770945 /nfs/dbraw/zinc/77/09/45/570770945.db2.gz IAEHGEIKUVRKEV-UHFFFAOYSA-N 1 0 388.964 4.848 40 0 GJABRO Clc1ccccc1C[NH+]1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257330682 570783043 /nfs/dbraw/zinc/78/30/43/570783043.db2.gz XPLVPTOCEMAYDP-UHFFFAOYSA-N 1 0 379.895 4.648 40 0 GJABRO COc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000036612738 570885373 /nfs/dbraw/zinc/88/53/73/570885373.db2.gz OAPHGFYDDKEAOS-KRWDZBQOSA-N 1 0 384.520 4.545 40 0 GJABRO Cc1ccc(-c2nnc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)o2)s1 ZINC000019217613 570962416 /nfs/dbraw/zinc/96/24/16/570962416.db2.gz ABKPAUJLIKVBML-AWEZNQCLSA-N 1 0 375.444 4.764 40 0 GJABRO [NH3+]C[C@H](c1ccc(/C=C\c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019361106 570979620 /nfs/dbraw/zinc/97/96/20/570979620.db2.gz JUZLLQQOVNWRMW-XCMWCYMESA-N 1 0 383.539 4.679 40 0 GJABRO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000019690452 571029070 /nfs/dbraw/zinc/02/90/70/571029070.db2.gz VKEBVCPKHRSTFR-NRFANRHFSA-N 1 0 376.479 4.686 40 0 GJABRO Cc1cc(Cc2ccc(Cl)cc2)cc(C2CC[NH+](Cc3ccnn3C)CC2)n1 ZINC000019691849 571029536 /nfs/dbraw/zinc/02/95/36/571029536.db2.gz QSYONZQWHAVESG-UHFFFAOYSA-N 1 0 394.950 4.747 40 0 GJABRO CC(C)Cn1cnc2c1C1(CC[NH+](Cc3ccoc3)CC1)Oc1ccccc1-2 ZINC000306136836 222800184 /nfs/dbraw/zinc/80/01/84/222800184.db2.gz QERIRKSRHSOPND-UHFFFAOYSA-N 1 0 377.488 4.683 40 0 GJABRO CC[NH+](CC)CCC[C@H](C)Nc1ncnc2c1[C@H](c1ccccc1)C(C)(C)O2 ZINC000001708595 212254300 /nfs/dbraw/zinc/25/43/00/212254300.db2.gz PUPZSDCVJPVQTJ-PXNSSMCTSA-N 1 0 382.552 4.702 40 0 GJABRO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C(C)C)[nH+]1 ZINC000328993729 212092349 /nfs/dbraw/zinc/09/23/49/212092349.db2.gz JAKNXACGFLFJCV-UHFFFAOYSA-N 1 0 394.441 4.882 40 0 GJABRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006009208 209127033 /nfs/dbraw/zinc/12/70/33/209127033.db2.gz UKFZRHVJMLZHMW-RUZDIDTESA-N 1 0 390.571 4.688 40 0 GJABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)o1)c1nc2ccccc2s1 ZINC000019496924 207124682 /nfs/dbraw/zinc/12/46/82/207124682.db2.gz DCHFGJRTHJDYTL-OAHLLOKOSA-N 1 0 383.517 4.612 40 0 GJABRO CCCn1nc(C)c(-c2cncn2C[C@H](c2ccccc2Cl)[NH+](C)C)c1C ZINC000019654608 207145162 /nfs/dbraw/zinc/14/51/62/207145162.db2.gz RORLANLXELQPMY-HXUWFJFHSA-N 1 0 385.943 4.730 40 0 GJABRO Cc1ccc(SCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000019934806 207171308 /nfs/dbraw/zinc/17/13/08/207171308.db2.gz AUVZOGNUQBZTNA-UHFFFAOYSA-N 1 0 382.573 4.749 40 0 GJABRO Cc1ccc(CSCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020454985 207195286 /nfs/dbraw/zinc/19/52/86/207195286.db2.gz CJWCYDCFISIUDC-FQEVSTJZSA-N 1 0 396.600 4.890 40 0 GJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 ZINC000030751638 207374357 /nfs/dbraw/zinc/37/43/57/207374357.db2.gz GPBUEPJJXPAMNC-SFHVURJKSA-N 1 0 384.951 4.935 40 0 GJABRO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371236 208005686 /nfs/dbraw/zinc/00/56/86/208005686.db2.gz JFBUGPFOWRYSND-LJQANCHMSA-N 1 0 395.934 4.717 40 0 GJABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375922 208008927 /nfs/dbraw/zinc/00/89/27/208008927.db2.gz VSRDUJNTFRGVDR-QGZVFWFLSA-N 1 0 379.895 4.648 40 0 GJABRO CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]([NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118932764 208467489 /nfs/dbraw/zinc/46/74/89/208467489.db2.gz DSIXHBFXZSSULK-HTVKZPTGSA-N 1 0 387.608 4.935 40 0 GJABRO CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000224535164 208928646 /nfs/dbraw/zinc/92/86/46/208928646.db2.gz JDCGDYZBONIOKZ-XMMPIXPASA-N 1 0 394.559 4.709 40 0 GJABRO O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224519878 208929219 /nfs/dbraw/zinc/92/92/19/208929219.db2.gz MEZFJKFBXIEUEQ-UHFFFAOYSA-N 1 0 391.342 4.838 40 0 GJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000224884369 208936376 /nfs/dbraw/zinc/93/63/76/208936376.db2.gz SRDFQPVQEKZCRH-UHFFFAOYSA-N 1 0 392.421 4.744 40 0 GJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225739029 208972293 /nfs/dbraw/zinc/97/22/93/208972293.db2.gz JYDGQGQVXFKNSH-JOCHJYFZSA-N 1 0 378.557 4.721 40 0 GJABRO CCCSc1cc(OC)c(CC[NH2+]Cc2ccccc2OC)cc1OC ZINC000299817104 209093704 /nfs/dbraw/zinc/09/37/04/209093704.db2.gz CPVMNHOHOSNFOP-UHFFFAOYSA-N 1 0 375.534 4.547 40 0 in-vitro GJABRO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccc(F)cc2)cc1 ZINC000007538360 221001133 /nfs/dbraw/zinc/00/11/33/221001133.db2.gz CEAIEMKQMCAPIU-UHFFFAOYSA-N 1 0 381.447 4.712 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCCc3ccccc3)c(OC)c2)cc1 ZINC000007540146 221001333 /nfs/dbraw/zinc/00/13/33/221001333.db2.gz MHPKRDQDJPFEJW-UHFFFAOYSA-N 1 0 391.511 4.658 40 0 GJABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008326319 221037015 /nfs/dbraw/zinc/03/70/15/221037015.db2.gz LBZSWYDOLDHCDW-INIZCTEOSA-N 1 0 398.728 4.542 40 0 GJABRO COc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718371 136153962 /nfs/dbraw/zinc/15/39/62/136153962.db2.gz JYNXUVWLFSXVJX-CALCHBBNSA-N 1 0 391.515 4.631 40 0 GJABRO CCCCCC(=O)OC[C@H](O)[C@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897172 221648066 /nfs/dbraw/zinc/64/80/66/221648066.db2.gz UEFOKZSZDQVRSZ-REWPJTCUSA-N 1 0 383.532 4.562 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359131 222239764 /nfs/dbraw/zinc/23/97/64/222239764.db2.gz AQHCOTZDWIEHLV-KRWDZBQOSA-N 1 0 393.922 4.613 40 0 GJABRO CNc1ncccc1C[N@@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072358222 222240110 /nfs/dbraw/zinc/24/01/10/222240110.db2.gz KKNPCWBTDVCFMD-JOCHJYFZSA-N 1 0 376.479 4.585 40 0 GJABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccs4)C3)n2)c1 ZINC000072369953 222240663 /nfs/dbraw/zinc/24/06/63/222240663.db2.gz ZJQUTWQPWMVKRE-CYBMUJFWSA-N 1 0 379.407 4.806 40 0 GJABRO Fc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000072369949 222240857 /nfs/dbraw/zinc/24/08/57/222240857.db2.gz PBSNXZWMVKKREJ-HNNXBMFYSA-N 1 0 391.368 4.884 40 0 GJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096053029 222374925 /nfs/dbraw/zinc/37/49/25/222374925.db2.gz YWPODDQOLOMFPL-HXUWFJFHSA-N 1 0 380.532 4.559 40 0 GJABRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 ZINC000096047553 222375648 /nfs/dbraw/zinc/37/56/48/222375648.db2.gz JDEGDTFOYAKVBX-QHCPKHFHSA-N 1 0 384.470 4.512 40 0 GJABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O ZINC000408725513 528404309 /nfs/dbraw/zinc/40/43/09/528404309.db2.gz KZQQBFPROIIEED-NBVRZTHBSA-N 1 0 376.522 4.591 40 0 GJABRO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CC[N@@H+](C)C1CCCC1 ZINC000019719658 570210608 /nfs/dbraw/zinc/21/06/08/570210608.db2.gz JSUFACFQXATJIU-UHFFFAOYSA-N 1 0 377.536 4.535 40 0 GJABRO Clc1ccc2c(c1)[C@H]1OCCC[C@@H]1C1(CC[NH+](Cc3ccccn3)CC1)O2 ZINC000585261622 570228244 /nfs/dbraw/zinc/22/82/44/570228244.db2.gz CBDKLIKACMUCOR-PZJWPPBQSA-N 1 0 384.907 4.630 40 0 GJABRO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000585271278 570239763 /nfs/dbraw/zinc/23/97/63/570239763.db2.gz VUOWLNUDRNOZMW-JOCHJYFZSA-N 1 0 384.907 4.536 40 0 GJABRO C[C@H]([NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076616 570320694 /nfs/dbraw/zinc/32/06/94/570320694.db2.gz VYQBNRUFRDRUFK-VBKZILBWSA-N 1 0 386.289 4.921 40 0 GJABRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022076887 570320763 /nfs/dbraw/zinc/32/07/63/570320763.db2.gz FIDVHXZAKYEHDZ-CYFREDJKSA-N 1 0 391.511 4.876 40 0 GJABRO CCOc1cc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076359 570320822 /nfs/dbraw/zinc/32/08/22/570320822.db2.gz MTZMEPSUWXUKKI-UZUQRXQVSA-N 1 0 397.540 4.938 40 0 GJABRO COc1cc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076391 570320865 /nfs/dbraw/zinc/32/08/65/570320865.db2.gz SXHDONGRNUFPEX-ZHRRBRCNSA-N 1 0 383.513 4.547 40 0 GJABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376769 570340353 /nfs/dbraw/zinc/34/03/53/570340353.db2.gz HWJKRBSHGDITMN-OAQYLSRUSA-N 1 0 392.478 4.601 40 0 GJABRO CC(=O)Oc1c2cc3c(cc2[nH]c1-c1ccccc1)[N+](=O)C(c1ccccc1)C3=O ZINC000003844606 570351504 /nfs/dbraw/zinc/35/15/04/570351504.db2.gz BCMHKMFHHCVZGH-UHFFFAOYSA-N 1 0 396.402 4.588 40 0 GJABRO CSc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1 ZINC000004882771 570415322 /nfs/dbraw/zinc/41/53/22/570415322.db2.gz KLUCXZWHVIVPDN-IHWFROFDSA-N 1 0 399.535 4.865 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1)c1ccc(OC)c(C)c1 ZINC000222616086 570417021 /nfs/dbraw/zinc/41/70/21/570417021.db2.gz VJRZCFVKWQFQGR-QHCPKHFHSA-N 1 0 394.559 4.792 40 0 GJABRO CCC(CC)C[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC ZINC000005063200 570427505 /nfs/dbraw/zinc/42/75/05/570427505.db2.gz XQDQBYIIIBVIBX-GREBRCKQSA-N 1 0 375.553 4.590 40 0 GJABRO C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000222976025 570434590 /nfs/dbraw/zinc/43/45/90/570434590.db2.gz PYCFOKWBFIIEFA-SFHVURJKSA-N 1 0 394.534 4.794 40 0 GJABRO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039760976 570445632 /nfs/dbraw/zinc/44/56/32/570445632.db2.gz HCFZSGCMTYILKB-UHFFFAOYSA-N 1 0 381.278 4.983 40 0 GJABRO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccs2)c1 ZINC000035310748 570465861 /nfs/dbraw/zinc/46/58/61/570465861.db2.gz MRGKAEJOUFUMCV-YQQQUEKLSA-N 1 0 385.602 4.847 40 0 GJABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260449389 570487487 /nfs/dbraw/zinc/48/74/87/570487487.db2.gz CNLOJAYYGFFSRU-IRLDBZIGSA-N 1 0 382.548 4.768 40 0 GJABRO O=C(COc1ccc2ccccc2c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447785 570505214 /nfs/dbraw/zinc/50/52/14/570505214.db2.gz LEUQVDVLYKLUFP-UHFFFAOYSA-N 1 0 388.511 4.521 40 0 GJABRO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020192870 570514678 /nfs/dbraw/zinc/51/46/78/570514678.db2.gz REBUBYSUEWICLT-SANMLTNESA-N 1 0 396.538 4.779 40 0 GJABRO CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000224535356 570517435 /nfs/dbraw/zinc/51/74/35/570517435.db2.gz UOANHEQGXSEHQM-HSZRJFAPSA-N 1 0 394.559 4.763 40 0 GJABRO C[NH+]1CCC(Oc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 ZINC000224574319 570518878 /nfs/dbraw/zinc/51/88/78/570518878.db2.gz LBDAQNDAGUDIJZ-UHFFFAOYSA-N 1 0 378.516 4.610 40 0 GJABRO Cc1ccc(S[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224646698 570522297 /nfs/dbraw/zinc/52/22/97/570522297.db2.gz QLLIBJGFBGCLIC-IBGZPJMESA-N 1 0 382.573 4.778 40 0 GJABRO O=C(CSc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224644805 570522312 /nfs/dbraw/zinc/52/23/12/570522312.db2.gz PRWWABRNJBHYMI-UHFFFAOYSA-N 1 0 388.964 4.734 40 0 GJABRO COc1cc2ccccc2cc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224683758 570524432 /nfs/dbraw/zinc/52/44/32/570524432.db2.gz PMYHFRTTXFKCFM-UHFFFAOYSA-N 1 0 388.511 4.764 40 0 GJABRO CCc1ccc(O[C@H](CC)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224697050 570525266 /nfs/dbraw/zinc/52/52/66/570525266.db2.gz QRYIEXXLYCZVKF-XMMPIXPASA-N 1 0 394.559 4.709 40 0 GJABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224778824 570530506 /nfs/dbraw/zinc/53/05/06/570530506.db2.gz FYBOSHWKQYSILH-IBGZPJMESA-N 1 0 394.559 4.664 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(F)cc2)cc1OC ZINC000008493667 570532865 /nfs/dbraw/zinc/53/28/65/570532865.db2.gz CGFMBOZBOPNIQS-UHFFFAOYSA-N 1 0 395.474 4.754 40 0 GJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000008550142 570533751 /nfs/dbraw/zinc/53/37/51/570533751.db2.gz OOVLOCHAIGHGCW-UHFFFAOYSA-N 1 0 391.511 4.924 40 0 GJABRO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000035288577 570551210 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4.922 40 0 GJABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872169 570637657 /nfs/dbraw/zinc/63/76/57/570637657.db2.gz OLBNJFSRSRAHPA-LJQANCHMSA-N 1 0 394.559 4.664 40 0 GJABRO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000004857304 570638822 /nfs/dbraw/zinc/63/88/22/570638822.db2.gz BOYKIOIIGFQJFA-AYHJJNSGSA-N 1 0 385.602 4.929 40 0 GJABRO CN(C(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000044910230 570642308 /nfs/dbraw/zinc/64/23/08/570642308.db2.gz MEVATSBBIOSZLK-HNNXBMFYSA-N 1 0 377.315 4.868 40 0 GJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000004888102 570642784 /nfs/dbraw/zinc/64/27/84/570642784.db2.gz PFORADPDIUYKNE-UKBGNOBASA-N 1 0 398.616 4.966 40 0 GJABRO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000044912280 570642826 /nfs/dbraw/zinc/64/28/26/570642826.db2.gz NCZPHFVZCDXRIM-GOSISDBHSA-N 1 0 391.342 4.830 40 0 GJABRO O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044915905 570642915 /nfs/dbraw/zinc/64/29/15/570642915.db2.gz AQBXOETWQSFWBC-UHFFFAOYSA-N 1 0 384.479 4.766 40 0 GJABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814663 570707778 /nfs/dbraw/zinc/70/77/78/570707778.db2.gz MERZXCVAFBYIOE-YDHSSHFGSA-N 1 0 390.568 4.577 40 0 GJABRO CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](CC2CC2)CC1 ZINC000257200763 570759958 /nfs/dbraw/zinc/75/99/58/570759958.db2.gz AEULCKIZFRFGDB-UHFFFAOYSA-N 1 0 396.600 4.974 40 0 GJABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cccc(O)c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257326017 570782000 /nfs/dbraw/zinc/78/20/00/570782000.db2.gz WVLCTJBUYOQVES-JTHBVZDNSA-N 1 0 379.500 4.596 40 0 GJABRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000227308562 570955254 /nfs/dbraw/zinc/95/52/54/570955254.db2.gz MJHIRDUYWMUNHY-AJSBUHFISA-N 1 0 382.935 4.760 40 0 GJABRO FC(F)(F)c1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000019330812 570974986 /nfs/dbraw/zinc/97/49/86/570974986.db2.gz LLTKCVFXIMGRBO-OAHLLOKOSA-N 1 0 399.420 4.768 40 0 GJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cccnc2)CC1 ZINC000019522100 570995039 /nfs/dbraw/zinc/99/50/39/570995039.db2.gz XLDYYTULFNKLNR-UHFFFAOYSA-N 1 0 390.409 4.579 40 0 GJABRO Cc1cc(-c2cnn(C)c2)cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000019692191 571029605 /nfs/dbraw/zinc/02/96/05/571029605.db2.gz CWFWXSCNKSJSIX-UHFFFAOYSA-N 1 0 397.526 4.718 40 0 GJABRO COc1ccccc1-c1ccccc1C[NH+]1CCC(Cn2ccnc2C)CC1 ZINC000019714572 571036161 /nfs/dbraw/zinc/03/61/61/571036161.db2.gz DZDPWPIKLHNCOR-UHFFFAOYSA-N 1 0 375.516 4.779 40 0 GJABRO O=C(CCSCc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676316 222660030 /nfs/dbraw/zinc/66/00/30/222660030.db2.gz LWHLQFTYKZBJCG-UHFFFAOYSA-N 1 0 382.573 4.612 40 0 GJABRO S=C(Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1)Nc1ccccc1 ZINC000001462726 212246418 /nfs/dbraw/zinc/24/64/18/212246418.db2.gz HFZBTCXFGRBKCG-UHFFFAOYSA-O 1 0 389.529 4.896 40 0 GJABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328972118 212090253 /nfs/dbraw/zinc/09/02/53/212090253.db2.gz DTESLISTQQZQRD-UHFFFAOYSA-N 1 0 392.425 4.601 40 0 GJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306143766 209107728 /nfs/dbraw/zinc/10/77/28/209107728.db2.gz YLPVDBCYBDUFHH-OAQYLSRUSA-N 1 0 384.483 4.742 40 0 GJABRO C[C@H](CCc1ccccc1)[NH+]1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000014000528 207007564 /nfs/dbraw/zinc/00/75/64/207007564.db2.gz CCOYZQRQVWLRRO-GOSISDBHSA-N 1 0 397.950 4.538 40 0 GJABRO Cc1ccc([C@@](O)(C[NH2+]Cc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000019205335 207106759 /nfs/dbraw/zinc/10/67/59/207106759.db2.gz XYPQNHOULXSCBA-QFIPXVFZSA-N 1 0 396.328 4.783 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019564329 207135325 /nfs/dbraw/zinc/13/53/25/207135325.db2.gz LJDFZTNLTCQQAO-HNNXBMFYSA-N 1 0 387.430 4.857 40 0 GJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(C)c1 ZINC000020043655 207175437 /nfs/dbraw/zinc/17/54/37/207175437.db2.gz NKJOJDAMFIBYLE-UHFFFAOYSA-N 1 0 394.515 4.656 40 0 GJABRO Cc1c(C[N@@H+]2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cnn1C ZINC000072353977 208001793 /nfs/dbraw/zinc/00/17/93/208001793.db2.gz WXWVXNQGSIKMFN-NRFANRHFSA-N 1 0 392.522 4.541 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359437 208002258 /nfs/dbraw/zinc/00/22/58/208002258.db2.gz MLRGLRIYRLWUGR-KRWDZBQOSA-N 1 0 398.432 4.937 40 0 GJABRO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1cnc(C)s1 ZINC000072370501 208006775 /nfs/dbraw/zinc/00/67/75/208006775.db2.gz GFRMZHNFCAKEGM-OAHLLOKOSA-N 1 0 399.585 4.623 40 0 GJABRO COc1ccc(CC[N@@H+]2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)cc1 ZINC000072375987 208010194 /nfs/dbraw/zinc/01/01/94/208010194.db2.gz ZVGBGKRMSOVTID-FQEVSTJZSA-N 1 0 388.515 4.651 40 0 GJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052665 208255362 /nfs/dbraw/zinc/25/53/62/208255362.db2.gz MSSUOKUHMJXOQE-HXUWFJFHSA-N 1 0 394.584 4.686 40 0 GJABRO Fc1cccc(-c2ccc3nc(C4CC[NH+](Cc5cccs5)CC4)nn3c2)c1 ZINC000096038194 208256005 /nfs/dbraw/zinc/25/60/05/208256005.db2.gz IGHMHDKKPRQJIC-UHFFFAOYSA-N 1 0 392.503 4.977 40 0 GJABRO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000007262306 208723874 /nfs/dbraw/zinc/72/38/74/208723874.db2.gz CRTVMEJNGDWTHL-UHFFFAOYSA-N 1 0 382.273 4.675 40 0 GJABRO CCCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000299817131 209094109 /nfs/dbraw/zinc/09/41/09/209094109.db2.gz FNVSEQCPMXWQKG-UHFFFAOYSA-N 1 0 380.532 4.535 40 0 in-vitro GJABRO CC1=C[C@@H](C[NH2+]C2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2[nH]1 ZINC000096296140 209014256 /nfs/dbraw/zinc/01/42/56/209014256.db2.gz LTTQDJIJRUAKOZ-ONTIZHBOSA-N 1 0 394.607 4.644 40 0 biogenic,in-vitro GJABRO CCOc1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC ZINC000008253576 221033036 /nfs/dbraw/zinc/03/30/36/221033036.db2.gz WSXFVNJJGFQSDL-UHFFFAOYSA-N 1 0 394.353 4.915 40 0 GJABRO COc1ccc(CN(Cc2ccncc2)CC(C)(C)C[NH+]2CCC(C)CC2)cc1 ZINC000013570250 221274378 /nfs/dbraw/zinc/27/43/78/221274378.db2.gz JQWVWCOYUMWYJH-UHFFFAOYSA-N 1 0 395.591 4.851 40 0 GJABRO CC(=O)N1Cc2ccccc2OC2(CCC([N@H+](C)CC3=CCCCC3)CC2)C1 ZINC000019019842 221395321 /nfs/dbraw/zinc/39/53/21/221395321.db2.gz DBLNRLQOEWOBNL-UHFFFAOYSA-N 1 0 382.548 4.541 40 0 GJABRO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081715 221395867 /nfs/dbraw/zinc/39/58/67/221395867.db2.gz XLJKFBDXIWDMBR-RBBKRZOGSA-N 1 0 397.538 4.869 40 0 GJABRO Cc1ccc(C)c([C@@H](NC(=O)CCC[NH+]2CCCCCC2)c2ccncc2)c1 ZINC000019132219 221397616 /nfs/dbraw/zinc/39/76/16/221397616.db2.gz XFYLRCDGTONMDR-DEOSSOPVSA-N 1 0 379.548 4.560 40 0 GJABRO CC[N@H+](Cc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000054992082 222014924 /nfs/dbraw/zinc/01/49/24/222014924.db2.gz JJOUTTRVWGCOHX-UHFFFAOYSA-N 1 0 387.365 4.936 40 0 GJABRO FC(F)(F)c1cccc(-c2cncc(C3CC[NH+](Cc4ccncc4)CC3)n2)c1 ZINC000072359400 222239712 /nfs/dbraw/zinc/23/97/12/222239712.db2.gz WSLOXHONQMLZEI-UHFFFAOYSA-N 1 0 398.432 4.937 40 0 GJABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)n1 ZINC000072372448 222242726 /nfs/dbraw/zinc/24/27/26/222242726.db2.gz AVSYCSILNMRPAX-DEOSSOPVSA-N 1 0 381.483 4.732 40 0 GJABRO C[C@@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398582 222254341 /nfs/dbraw/zinc/25/43/41/222254341.db2.gz DZGPRMSLAPSDCD-RRPUWOKSSA-N 1 0 393.575 4.801 40 0 GJABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC(C)C)c4ccccc43)CC2)o1 ZINC000096052618 222374556 /nfs/dbraw/zinc/37/45/56/222374556.db2.gz AWZJKRUOXFOEDQ-LJQANCHMSA-N 1 0 380.532 4.524 40 0 GJABRO O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408606589 534746251 /nfs/dbraw/zinc/74/62/51/534746251.db2.gz IVXMRAYXBKEWJU-HSZRJFAPSA-N 1 0 382.507 4.626 40 0 GJABRO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]([N@@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408608963 526762216 /nfs/dbraw/zinc/76/22/16/526762216.db2.gz NGSLUAZTRAEQJZ-HSZRJFAPSA-N 1 0 376.544 4.647 40 0 GJABRO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408987680 528617093 /nfs/dbraw/zinc/61/70/93/528617093.db2.gz GICHFCJPWKONAC-HXUWFJFHSA-N 1 0 380.513 4.766 40 0 GJABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCCCC1 ZINC000216302264 570298696 /nfs/dbraw/zinc/29/86/96/570298696.db2.gz DAEIPWVKZAHCOI-UHFFFAOYSA-N 1 0 389.392 4.609 40 0 GJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl ZINC000022075104 570305149 /nfs/dbraw/zinc/30/51/49/570305149.db2.gz UFHOGLLBTUQNFZ-OAQYLSRUSA-N 1 0 397.902 4.751 40 0 GJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 ZINC000022075712 570305303 /nfs/dbraw/zinc/30/53/03/570305303.db2.gz JRAWRVHSVGLXSU-NRFANRHFSA-N 1 0 397.902 4.751 40 0 GJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cc1 ZINC000072348598 570339028 /nfs/dbraw/zinc/33/90/28/570339028.db2.gz NHFOECKMRASVEC-JOCHJYFZSA-N 1 0 388.511 4.629 40 0 GJABRO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376770 570340270 /nfs/dbraw/zinc/34/02/70/570340270.db2.gz HWJKRBSHGDITMN-NRFANRHFSA-N 1 0 392.478 4.601 40 0 GJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000039761200 570445658 /nfs/dbraw/zinc/44/56/58/570445658.db2.gz JULZYDPWQTWOPH-UHFFFAOYSA-N 1 0 387.321 4.608 40 0 GJABRO C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCC2 ZINC000223224227 570450899 /nfs/dbraw/zinc/45/08/99/570450899.db2.gz LAMXOKFAYDJGHJ-QGZVFWFLSA-N 1 0 396.962 4.918 40 0 GJABRO CC[NH+](CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)ccc21 ZINC000005840052 570458772 /nfs/dbraw/zinc/45/87/72/570458772.db2.gz OVNXSTVJRQJZGD-JOCHJYFZSA-N 1 0 384.907 4.939 40 0 GJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(OC)c(C)c1 ZINC000223447004 570466669 /nfs/dbraw/zinc/46/66/69/570466669.db2.gz PDWIFCJUSHSSBC-QFIPXVFZSA-N 1 0 398.522 4.622 40 0 GJABRO C[NH+]1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000006228386 570472552 /nfs/dbraw/zinc/47/25/52/570472552.db2.gz FYVHZQWTOUNDJB-UHFFFAOYSA-N 1 0 395.890 4.604 40 0 GJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224619017 570520850 /nfs/dbraw/zinc/52/08/50/570520850.db2.gz NNWODLRVWSYSDV-IBGZPJMESA-N 1 0 388.511 4.519 40 0 GJABRO C[C@H](SCc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645689 570522440 /nfs/dbraw/zinc/52/24/40/570522440.db2.gz MYNJLVXKIKEGKD-IBGZPJMESA-N 1 0 382.573 4.611 40 0 GJABRO CCOc1cc(C[NH2+][C@H](CC)CO)ccc1OCc1ccc(Cl)cc1Cl ZINC000008337085 570528566 /nfs/dbraw/zinc/52/85/66/570528566.db2.gz OGPIJKBOIYWCGW-QGZVFWFLSA-N 1 0 398.330 4.832 40 0 GJABRO FC(F)(F)c1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225231304 570557966 /nfs/dbraw/zinc/55/79/66/570557966.db2.gz RKHADYPWIXJJLC-UHFFFAOYSA-N 1 0 399.507 4.718 40 0 GJABRO CC1(C)CC(N(Cc2ccccn2)Cc2cccc3ncccc23)CC(C)(C)[NH2+]1 ZINC000036740498 570569292 /nfs/dbraw/zinc/56/92/92/570569292.db2.gz QMYGDMJSRHAVJL-UHFFFAOYSA-N 1 0 388.559 4.941 40 0 GJABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038850216 570587754 /nfs/dbraw/zinc/58/77/54/570587754.db2.gz PNXDMOYJAYAPKE-HNNXBMFYSA-N 1 0 393.314 4.853 40 0 GJABRO CC[NH+](CC)CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 ZINC000225615132 570594216 /nfs/dbraw/zinc/59/42/16/570594216.db2.gz BIGAYGREXISOGL-UHFFFAOYSA-N 1 0 392.584 4.823 40 0 GJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1 ZINC000225623184 570595632 /nfs/dbraw/zinc/59/56/32/570595632.db2.gz ZJAWQTMLVYMDRT-HSZRJFAPSA-N 1 0 390.568 4.865 40 0 GJABRO CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225749556 570612940 /nfs/dbraw/zinc/61/29/40/570612940.db2.gz GOVDWUSYIDZFGH-QHCPKHFHSA-N 1 0 390.568 4.865 40 0 GJABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1ccc(Cl)c(F)c1 ZINC000043277820 570627240 /nfs/dbraw/zinc/62/72/40/570627240.db2.gz XGLWNPNPOYKGAT-UHFFFAOYSA-N 1 0 387.886 4.777 40 0 GJABRO Cc1cccc(-c2cc3nc4c(c(NCC(C)(C)C[NH+](C)C)n3n2)CCCC4)c1 ZINC000004489206 570628018 /nfs/dbraw/zinc/62/80/18/570628018.db2.gz UCLFFEZZTVNBFT-UHFFFAOYSA-N 1 0 391.563 4.583 40 0 GJABRO C[C@@H]([NH2+]Cc1cccc(OCc2cccnc2)c1)c1ccc2c(c1)OCCCO2 ZINC000012238325 570629514 /nfs/dbraw/zinc/62/95/14/570629514.db2.gz ZCUVRABTLQXCGS-GOSISDBHSA-N 1 0 390.483 4.673 40 0 GJABRO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044917145 570643404 /nfs/dbraw/zinc/64/34/04/570643404.db2.gz LTBLOQKXXQMYCE-IBGZPJMESA-N 1 0 396.506 4.998 40 0 GJABRO CC1CC[NH+](CCCNC(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000004971039 570655050 /nfs/dbraw/zinc/65/50/50/570655050.db2.gz DICHVJSSWOMONE-UHFFFAOYSA-N 1 0 395.572 4.603 40 0 GJABRO C[C@@H]1CCC[N@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 ZINC000057740243 570703206 /nfs/dbraw/zinc/70/32/06/570703206.db2.gz JIPREIDXBGJOPH-GOSISDBHSA-N 1 0 398.510 4.613 40 0 GJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000260812360 570707389 /nfs/dbraw/zinc/70/73/89/570707389.db2.gz ASDCRBYWEXGYHB-XXBNENTESA-N 1 0 390.568 4.864 40 0 GJABRO Cc1nc(Nc2cncc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)n2)sc1C ZINC000257228839 570764772 /nfs/dbraw/zinc/76/47/72/570764772.db2.gz FVMALZHLCHRTGT-QGZVFWFLSA-N 1 0 383.565 4.829 40 0 GJABRO C[C@H]([NH2+]C[C@@H](O)COCC(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000040373202 570872573 /nfs/dbraw/zinc/87/25/73/570872573.db2.gz YXBCIFNYBRWTHM-GBXCKJPGSA-N 1 0 375.512 4.547 40 0 GJABRO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@H+](Cc2cccc(F)c2)CC3)cc1 ZINC000585100685 570925302 /nfs/dbraw/zinc/92/53/02/570925302.db2.gz SSXHGYJMWNAPGP-XMMPIXPASA-N 1 0 380.507 4.681 40 0 GJABRO Cc1cccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 ZINC000306132608 570940474 /nfs/dbraw/zinc/94/04/74/570940474.db2.gz LNSVMSVOKIEBJP-GOSISDBHSA-N 1 0 389.528 4.541 40 0 GJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2oc3ccc(C)cc3c2C)CC1 ZINC000019220494 570962772 /nfs/dbraw/zinc/96/27/72/570962772.db2.gz YRGZPPHGFSUOKL-UHFFFAOYSA-N 1 0 394.490 4.816 40 0 GJABRO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019454743 570986442 /nfs/dbraw/zinc/98/64/42/570986442.db2.gz STFGYUGOXOIRGT-QHCPKHFHSA-N 1 0 381.495 4.630 40 0 GJABRO COc1ccccc1C[N@@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169363 570995874 /nfs/dbraw/zinc/99/58/74/570995874.db2.gz MVNMAYVOOWZVBN-QGZVFWFLSA-N 1 0 394.540 4.601 40 0 GJABRO Cc1noc2nc(C(C)C)cc(C(=O)Nc3ccccc3C[NH+]3CCCC3)c12 ZINC000019714746 571036340 /nfs/dbraw/zinc/03/63/40/571036340.db2.gz JKGIAYXXFFQNOB-UHFFFAOYSA-N 1 0 378.476 4.503 40 0 GJABRO