smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccccc3[N+](=O)[O-])c(O)c2n1 ZINC000000684022 557057701 /nfs/dbraw/zinc/05/77/01/557057701.db2.gz HCXGCAWPVBLUSN-QFIPXVFZSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc(C(=O)C[NH+]2CCC(C)CC2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000000710211 557065755 /nfs/dbraw/zinc/06/57/55/557065755.db2.gz WQQYNMWVLPWGKY-UHFFFAOYSA-N 1 1 412.883 5.681 50 10 HKCAMO Cc1cccc(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000000946891 568754704 /nfs/dbraw/zinc/75/47/04/568754704.db2.gz HUHLXTYKRKEJDP-FQEVSTJZSA-N 1 1 409.411 5.864 50 10 HKCAMO Cc1cccc(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000000946892 568754627 /nfs/dbraw/zinc/75/46/27/568754627.db2.gz HUHLXTYKRKEJDP-HXUWFJFHSA-N 1 1 409.411 5.864 50 10 HKCAMO CCOc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)ccc1OC ZINC000001169061 569284515 /nfs/dbraw/zinc/28/45/15/569284515.db2.gz ZUOOFZJZQYFZQW-QHCPKHFHSA-N 1 1 415.493 5.253 50 10 HKCAMO CCOc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)ccc1OC ZINC000001169062 569284494 /nfs/dbraw/zinc/28/44/94/569284494.db2.gz ZUOOFZJZQYFZQW-HSZRJFAPSA-N 1 1 415.493 5.253 50 10 HKCAMO CCOc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1OC ZINC000001184900 557233279 /nfs/dbraw/zinc/23/32/79/557233279.db2.gz XVTIDQOMNUCNHZ-QHCPKHFHSA-N 1 1 415.493 5.253 50 10 HKCAMO CCOc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1OC ZINC000001184901 557233198 /nfs/dbraw/zinc/23/31/98/557233198.db2.gz XVTIDQOMNUCNHZ-HSZRJFAPSA-N 1 1 415.493 5.253 50 10 HKCAMO CC[NH+](CC)Cc1c2c(ccc1O)oc(C)c2C(=O)c1ccc(Br)cc1 ZINC000001257263 568909089 /nfs/dbraw/zinc/90/90/89/568909089.db2.gz NIKYNRSWDZDVBA-UHFFFAOYSA-N 1 1 416.315 5.282 50 10 HKCAMO CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(C[N@@H+]3[C@H](C)CCC[C@@H]3C)c21 ZINC000001760206 569052115 /nfs/dbraw/zinc/05/21/15/569052115.db2.gz BCKXDTKOBAGXQL-CALCHBBNSA-N 1 1 407.510 5.745 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3cccnc3c2O)c2cccc(Cl)c2Cl)c1 ZINC000002878481 557418302 /nfs/dbraw/zinc/41/83/02/557418302.db2.gz HQICAVDTVBACIN-NRFANRHFSA-N 1 1 410.304 6.152 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3cccnc3c2O)c2cccc(Cl)c2Cl)c1 ZINC000002878482 557418439 /nfs/dbraw/zinc/41/84/39/557418439.db2.gz HQICAVDTVBACIN-OAQYLSRUSA-N 1 1 410.304 6.152 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1 ZINC000002977097 557433530 /nfs/dbraw/zinc/43/35/30/557433530.db2.gz GWIRXRRJIZAMRH-NRFANRHFSA-N 1 1 410.304 6.152 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c1 ZINC000002977098 557433554 /nfs/dbraw/zinc/43/35/54/557433554.db2.gz GWIRXRRJIZAMRH-OAQYLSRUSA-N 1 1 410.304 6.152 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000002977183 557433461 /nfs/dbraw/zinc/43/34/61/557433461.db2.gz LNQAUBSYKUMDRN-NRFANRHFSA-N 1 1 410.304 6.152 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3cccnc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000002977184 557433573 /nfs/dbraw/zinc/43/35/73/557433573.db2.gz LNQAUBSYKUMDRN-OAQYLSRUSA-N 1 1 410.304 6.152 50 10 HKCAMO CCN(CC)c1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000002977224 557433537 /nfs/dbraw/zinc/43/35/37/557433537.db2.gz IUSFCIPCWLGARI-DEOSSOPVSA-N 1 1 412.537 5.692 50 10 HKCAMO CCN(CC)c1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000002977225 557433482 /nfs/dbraw/zinc/43/34/82/557433482.db2.gz IUSFCIPCWLGARI-XMMPIXPASA-N 1 1 412.537 5.692 50 10 HKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3c(F)cccc3Cl)c(O)c2n1 ZINC000002978022 557433749 /nfs/dbraw/zinc/43/37/49/557433749.db2.gz MDOMBJYHRLLVTB-QFIPXVFZSA-N 1 1 407.876 5.946 50 10 HKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3c(F)cccc3Cl)c(O)c2n1 ZINC000002978023 557433801 /nfs/dbraw/zinc/43/38/01/557433801.db2.gz MDOMBJYHRLLVTB-JOCHJYFZSA-N 1 1 407.876 5.946 50 10 HKCAMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c(O)ccc2cc(Br)ccc21 ZINC000003402282 568857999 /nfs/dbraw/zinc/85/79/99/568857999.db2.gz QPHRNJDFMIGWBY-UHFFFAOYSA-N 1 1 420.734 5.472 50 10 HKCAMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000003999864 568932119 /nfs/dbraw/zinc/93/21/19/568932119.db2.gz HHDZJKDZTMYHPS-AKSHPUQNSA-N 1 1 418.625 5.914 50 10 biogenic HKCAMO CN1CCC(=C2c3ccsc3SCc3cc(C4CC[NH+](C)CC4)ccc32)CC1 ZINC000004128368 557517612 /nfs/dbraw/zinc/51/76/12/557517612.db2.gz PXBUMRNTQFETAB-UHFFFAOYSA-N 1 1 410.652 5.691 50 10 HKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 ZINC000004164708 557522931 /nfs/dbraw/zinc/52/29/31/557522931.db2.gz VKIROHYSILFCHR-NRFANRHFSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccc([N+](=O)[O-])cc3)c(O)c2n1 ZINC000004164709 557522891 /nfs/dbraw/zinc/52/28/91/557522891.db2.gz VKIROHYSILFCHR-OAQYLSRUSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000004164770 557522873 /nfs/dbraw/zinc/52/28/73/557522873.db2.gz ZEGBYJZQTIPKGK-FQEVSTJZSA-N 1 1 420.310 5.608 50 10 HKCAMO Cc1cccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)[nH+]1 ZINC000004164771 557522863 /nfs/dbraw/zinc/52/28/63/557522863.db2.gz ZEGBYJZQTIPKGK-HXUWFJFHSA-N 1 1 420.310 5.608 50 10 HKCAMO CCC[N@@H+](CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004499106 558612281 /nfs/dbraw/zinc/61/22/81/558612281.db2.gz KSZUJZBVURNBOV-MUUNZHRXSA-N 1 1 422.657 6.173 50 10 HKCAMO CCC[N@@H+](CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1 ZINC000004499108 558612275 /nfs/dbraw/zinc/61/22/75/558612275.db2.gz KSZUJZBVURNBOV-NDEPHWFRSA-N 1 1 422.657 6.173 50 10 HKCAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(ccc3c(-c4ccccc4)cc(=O)oc32)c1O ZINC000004540321 558661824 /nfs/dbraw/zinc/66/18/24/558661824.db2.gz GNMXYJGHKAHUCX-HXUWFJFHSA-N 1 1 413.517 6.083 50 10 HKCAMO CC[C@H]1CCCC[N@H+]1Cc1ccc2c(ccc3c(-c4ccccc4)cc(=O)oc32)c1O ZINC000004540322 558661792 /nfs/dbraw/zinc/66/17/92/558661792.db2.gz GNMXYJGHKAHUCX-FQEVSTJZSA-N 1 1 413.517 6.083 50 10 HKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccc3[N+](=O)[O-])c(O)c2n1 ZINC000004631164 557574445 /nfs/dbraw/zinc/57/44/45/557574445.db2.gz HCXGCAWPVBLUSN-JOCHJYFZSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 ZINC000004631202 557574434 /nfs/dbraw/zinc/57/44/34/557574434.db2.gz NEXQMABZRZRZOX-NRFANRHFSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3cccc([N+](=O)[O-])c3)c(O)c2n1 ZINC000004631203 557574416 /nfs/dbraw/zinc/57/44/16/557574416.db2.gz NEXQMABZRZRZOX-OAQYLSRUSA-N 1 1 400.438 5.062 50 10 HKCAMO COc1cccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000004755194 557593539 /nfs/dbraw/zinc/59/35/39/557593539.db2.gz UCMJCWYWSCWETO-HSZRJFAPSA-N 1 1 415.493 5.171 50 10 HKCAMO COc1cccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)c1OC ZINC000004755195 557593553 /nfs/dbraw/zinc/59/35/53/557593553.db2.gz UCMJCWYWSCWETO-QHCPKHFHSA-N 1 1 415.493 5.171 50 10 HKCAMO CSc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004755363 557593503 /nfs/dbraw/zinc/59/35/03/557593503.db2.gz ZNKLDPBOHOOXCP-QFIPXVFZSA-N 1 1 401.535 5.876 50 10 HKCAMO CSc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000004755364 557593569 /nfs/dbraw/zinc/59/35/69/557593569.db2.gz ZNKLDPBOHOOXCP-JOCHJYFZSA-N 1 1 401.535 5.876 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3ccc(C)nc3c2O)c2ccccc2[N+](=O)[O-])c1 ZINC000004978749 569284502 /nfs/dbraw/zinc/28/45/02/569284502.db2.gz VXPGAZJVEWWXED-QFIPXVFZSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3ccc(C)nc3c2O)c2ccccc2[N+](=O)[O-])c1 ZINC000004978750 569284487 /nfs/dbraw/zinc/28/44/87/569284487.db2.gz VXPGAZJVEWWXED-JOCHJYFZSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004978759 557619873 /nfs/dbraw/zinc/61/98/73/557619873.db2.gz QOROSSPFXOLAQI-NRFANRHFSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc([N+](=O)[O-])cc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004978760 557619841 /nfs/dbraw/zinc/61/98/41/557619841.db2.gz QOROSSPFXOLAQI-OAQYLSRUSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004983054 557620584 /nfs/dbraw/zinc/62/05/84/557620584.db2.gz TVXGPVQFFRJBBV-NRFANRHFSA-N 1 1 400.438 5.062 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004983055 557620550 /nfs/dbraw/zinc/62/05/50/557620550.db2.gz TVXGPVQFFRJBBV-OAQYLSRUSA-N 1 1 400.438 5.062 50 10 HKCAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)CC2 ZINC000004989080 557621930 /nfs/dbraw/zinc/62/19/30/557621930.db2.gz RHZGNLHTHGXWSX-UHFFFAOYSA-N 1 1 411.586 5.563 50 10 HKCAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1O)CC2 ZINC000005010344 569366462 /nfs/dbraw/zinc/36/64/62/569366462.db2.gz CMMRBJKEUPHUEY-DEOSSOPVSA-N 1 1 409.913 5.211 50 10 HKCAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1O)CC2 ZINC000005010345 558781210 /nfs/dbraw/zinc/78/12/10/558781210.db2.gz CMMRBJKEUPHUEY-XMMPIXPASA-N 1 1 409.913 5.211 50 10 HKCAMO CC[NH+](CC)Cc1c2c(ccc1O)oc(C)c2C(=O)Nc1cccc(Cl)c1C ZINC000005182444 559289997 /nfs/dbraw/zinc/28/99/97/559289997.db2.gz HLOYXHLODVKAIN-UHFFFAOYSA-N 1 1 400.906 5.503 50 10 HKCAMO CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(C[NH+](CC)CC)c21 ZINC000005182447 559290022 /nfs/dbraw/zinc/29/00/22/559290022.db2.gz BANNLVBXWIQNFG-UHFFFAOYSA-N 1 1 408.542 5.666 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)OCCc1ccccc1 ZINC000005182526 559289691 /nfs/dbraw/zinc/28/96/91/559289691.db2.gz OHSZPTUZIROPRC-KRWDZBQOSA-N 1 1 407.510 5.221 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)OCCc1ccccc1 ZINC000005182529 559289767 /nfs/dbraw/zinc/28/97/67/559289767.db2.gz OHSZPTUZIROPRC-QGZVFWFLSA-N 1 1 407.510 5.221 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C)c2c1C(=O)OCCOc1ccccc1 ZINC000005182538 559289702 /nfs/dbraw/zinc/28/97/02/559289702.db2.gz WGZHYTGPKKYCJO-KRWDZBQOSA-N 1 1 423.509 5.057 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C)c2c1C(=O)OCCOc1ccccc1 ZINC000005182542 559289724 /nfs/dbraw/zinc/28/97/24/559289724.db2.gz WGZHYTGPKKYCJO-QGZVFWFLSA-N 1 1 423.509 5.057 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000005182570 559289775 /nfs/dbraw/zinc/28/97/75/559289775.db2.gz FVYGZWZPPMDTSA-INIZCTEOSA-N 1 1 406.526 5.548 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@@H](C)C3)c2c1C(=O)Nc1ccc(C)cc1C ZINC000005182572 559289709 /nfs/dbraw/zinc/28/97/09/559289709.db2.gz FVYGZWZPPMDTSA-MRXNPFEDSA-N 1 1 406.526 5.548 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)Nc1ccccc1 ZINC000005182736 559289946 /nfs/dbraw/zinc/28/99/46/559289946.db2.gz GMRRGWICDATQKO-UHFFFAOYSA-N 1 1 400.478 5.331 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)Nc1ccccc1C ZINC000005182738 559289980 /nfs/dbraw/zinc/28/99/80/559289980.db2.gz JYKIQKYJTNHQQF-UHFFFAOYSA-N 1 1 414.505 5.640 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)NCc1ccccc1 ZINC000005182744 557639080 /nfs/dbraw/zinc/63/90/80/557639080.db2.gz WPEJXOJGQCXTRE-UHFFFAOYSA-N 1 1 414.505 5.009 50 10 HKCAMO CC[N@@H+](Cc1ccccc1)Cc1c2c(ccc1O)oc(C)c2C(=O)NC1CCCC1 ZINC000005182748 559289964 /nfs/dbraw/zinc/28/99/64/559289964.db2.gz PLSSPSAXQGQYQT-UHFFFAOYSA-N 1 1 406.526 5.141 50 10 HKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005219408 560544140 /nfs/dbraw/zinc/54/41/40/560544140.db2.gz DGFBEHNNOLINPG-DMDYGQEQSA-N 1 1 410.577 5.540 50 10 HKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000005219410 560544156 /nfs/dbraw/zinc/54/41/56/560544156.db2.gz DGFBEHNNOLINPG-ARMFNRFLSA-N 1 1 410.577 5.540 50 10 HKCAMO CCOc1cccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)c1OC ZINC000005737127 557671725 /nfs/dbraw/zinc/67/17/25/557671725.db2.gz VSZDXAQTZNLUPR-HSZRJFAPSA-N 1 1 415.493 5.253 50 10 HKCAMO CCOc1cccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)c1OC ZINC000005737130 557671831 /nfs/dbraw/zinc/67/18/31/557671831.db2.gz VSZDXAQTZNLUPR-QHCPKHFHSA-N 1 1 415.493 5.253 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1 ZINC000005931908 568830231 /nfs/dbraw/zinc/83/02/31/568830231.db2.gz NGAWFARRBBNJRI-FQEVSTJZSA-N 1 1 409.411 5.864 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc(C(F)(F)F)cc2)c2ccc3cccnc3c2O)c1 ZINC000005931909 568830133 /nfs/dbraw/zinc/83/01/33/568830133.db2.gz NGAWFARRBBNJRI-HXUWFJFHSA-N 1 1 409.411 5.864 50 10 HKCAMO C[C@H](OC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000006082908 568996482 /nfs/dbraw/zinc/99/64/82/568996482.db2.gz PCQAVHYILBMYFS-FDDCHVKYSA-N 1 1 417.977 5.319 50 10 HKCAMO C[C@@H](OC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000006082910 568996516 /nfs/dbraw/zinc/99/65/16/568996516.db2.gz PCQAVHYILBMYFS-WZONZLPQSA-N 1 1 417.977 5.319 50 10 HKCAMO C[C@H](OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000006082913 568996493 /nfs/dbraw/zinc/99/64/93/568996493.db2.gz PCQAVHYILBMYFS-MBSDFSHPSA-N 1 1 417.977 5.319 50 10 HKCAMO C[C@@H](OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1)c1ccc(Cl)cc1 ZINC000006082917 568996527 /nfs/dbraw/zinc/99/65/27/568996527.db2.gz PCQAVHYILBMYFS-JPYJTQIMSA-N 1 1 417.977 5.319 50 10 HKCAMO Cc1oc2ccc(O)c(C[N@@H+](C)Cc3ccccc3)c2c1C(=O)NC1CCCCC1 ZINC000006811160 569135983 /nfs/dbraw/zinc/13/59/83/569135983.db2.gz MGXQSNGOMURLFO-UHFFFAOYSA-N 1 1 406.526 5.141 50 10 HKCAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877893 569164876 /nfs/dbraw/zinc/16/48/76/569164876.db2.gz IDYFQSGTVGZMCQ-HSZRJFAPSA-N 1 1 407.602 5.049 50 10 HKCAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3)cc1 ZINC000006877894 569164810 /nfs/dbraw/zinc/16/48/10/569164810.db2.gz IDYFQSGTVGZMCQ-QHCPKHFHSA-N 1 1 407.602 5.049 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc1)CCCC2 ZINC000006877903 569164912 /nfs/dbraw/zinc/16/49/12/569164912.db2.gz HLHRCNUSDQNJBQ-BGYRXZFFSA-N 1 1 407.602 5.047 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC[C@H](C)C2 ZINC000006877982 569164855 /nfs/dbraw/zinc/16/48/55/569164855.db2.gz SSVHYWMEZXNGEW-PCCBWWKXSA-N 1 1 421.629 5.008 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc1)CC[C@H](C)C2 ZINC000006877987 569164825 /nfs/dbraw/zinc/16/48/25/569164825.db2.gz HULANHNBNWIAED-PCCBWWKXSA-N 1 1 421.629 5.293 50 10 HKCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c2c1 ZINC000008232246 568984481 /nfs/dbraw/zinc/98/44/81/568984481.db2.gz DHCDRLTVMYNUQX-JOCHJYFZSA-N 1 1 405.494 5.052 50 10 HKCAMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCCO4)c2c1 ZINC000008232248 568984545 /nfs/dbraw/zinc/98/45/45/568984545.db2.gz DHCDRLTVMYNUQX-QFIPXVFZSA-N 1 1 405.494 5.052 50 10 HKCAMO Cc1c(O)c(C[NH2+]Cc2c(F)cccc2Cl)cc2c(-c3ccccc3)cc(=O)oc12 ZINC000009410339 571255745 /nfs/dbraw/zinc/25/57/45/571255745.db2.gz CFRPKRUNCPJCGF-UHFFFAOYSA-N 1 1 423.871 5.556 50 10 HKCAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000011944377 558302092 /nfs/dbraw/zinc/30/20/92/558302092.db2.gz BTPHUKIPMONUIK-INIZCTEOSA-N 1 1 404.913 5.124 50 10 HKCAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000011944380 558302029 /nfs/dbraw/zinc/30/20/29/558302029.db2.gz BTPHUKIPMONUIK-MRXNPFEDSA-N 1 1 404.913 5.124 50 10 HKCAMO C[N@H+](Cc1csc(-c2ccccc2)n1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012128465 558331882 /nfs/dbraw/zinc/33/18/82/558331882.db2.gz GWHYSJSJLIOHMG-UHFFFAOYSA-N 1 1 404.510 5.954 50 10 HKCAMO C[N@@H+](Cc1csc(-c2ccccc2)n1)Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012128465 558331886 /nfs/dbraw/zinc/33/18/86/558331886.db2.gz GWHYSJSJLIOHMG-UHFFFAOYSA-N 1 1 404.510 5.954 50 10 HKCAMO CCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1O ZINC000012151041 558339122 /nfs/dbraw/zinc/33/91/22/558339122.db2.gz QEJOOLDERKEIGD-KRWDZBQOSA-N 1 1 411.933 5.214 50 10 HKCAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c2)c1 ZINC000012450962 558416136 /nfs/dbraw/zinc/41/61/36/558416136.db2.gz BTYQMSBHOBXIJR-UHFFFAOYSA-N 1 1 419.496 5.505 50 10 HKCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000013779081 558592910 /nfs/dbraw/zinc/59/29/10/558592910.db2.gz DGFBEHNNOLINPG-SKBVVQJISA-N 1 1 410.577 5.540 50 10 HKCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2F)cc1 ZINC000013779085 558592892 /nfs/dbraw/zinc/59/28/92/558592892.db2.gz DGFBEHNNOLINPG-LGPLSSKUSA-N 1 1 410.577 5.540 50 10 HKCAMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015008170 558699210 /nfs/dbraw/zinc/69/92/10/558699210.db2.gz UNKJTRLNJAZYBS-QGZVFWFLSA-N 1 1 401.432 5.181 50 10 HKCAMO Oc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C(F)(F)F)c2)C1 ZINC000015008172 558699327 /nfs/dbraw/zinc/69/93/27/558699327.db2.gz UNKJTRLNJAZYBS-KRWDZBQOSA-N 1 1 401.432 5.181 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 ZINC000015016379 558702073 /nfs/dbraw/zinc/70/20/73/558702073.db2.gz CALYGCWCEXJTET-FQEVSTJZSA-N 1 1 420.856 5.407 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3cccnc3c2O)c1 ZINC000015016380 558701989 /nfs/dbraw/zinc/70/19/89/558701989.db2.gz CALYGCWCEXJTET-HXUWFJFHSA-N 1 1 420.856 5.407 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3ccc(C)nc3c2O)c2c(F)cccc2Cl)c1 ZINC000015016650 558702318 /nfs/dbraw/zinc/70/23/18/558702318.db2.gz SYYZYVVAJRRBMP-QFIPXVFZSA-N 1 1 407.876 5.946 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3ccc(C)nc3c2O)c2c(F)cccc2Cl)c1 ZINC000015016651 558702285 /nfs/dbraw/zinc/70/22/85/558702285.db2.gz SYYZYVVAJRRBMP-JOCHJYFZSA-N 1 1 407.876 5.946 50 10 HKCAMO CSc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000015016652 558702305 /nfs/dbraw/zinc/70/23/05/558702305.db2.gz XGXDLULMEQQWTN-JOCHJYFZSA-N 1 1 401.535 5.876 50 10 HKCAMO CSc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1 ZINC000015016653 558702259 /nfs/dbraw/zinc/70/22/59/558702259.db2.gz XGXDLULMEQQWTN-QFIPXVFZSA-N 1 1 401.535 5.876 50 10 HKCAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000015077734 558717244 /nfs/dbraw/zinc/71/72/44/558717244.db2.gz UQUBODHSAYEYIB-INIZCTEOSA-N 1 1 406.448 5.042 50 10 HKCAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000015077736 558717285 /nfs/dbraw/zinc/71/72/85/558717285.db2.gz UQUBODHSAYEYIB-MRXNPFEDSA-N 1 1 406.448 5.042 50 10 HKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000018190082 558832899 /nfs/dbraw/zinc/83/28/99/558832899.db2.gz AUWBYGKTYGPRHY-QFIPXVFZSA-N 1 1 424.331 6.461 50 10 HKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3ccc(C)nc3c2O)c2c(Cl)cccc2Cl)c1 ZINC000018190084 558832930 /nfs/dbraw/zinc/83/29/30/558832930.db2.gz AUWBYGKTYGPRHY-JOCHJYFZSA-N 1 1 424.331 6.461 50 10 HKCAMO CCOc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1O ZINC000019849871 558295357 /nfs/dbraw/zinc/29/53/57/558295357.db2.gz YYVXSAJIUCJTPC-HSZRJFAPSA-N 1 1 415.493 5.258 50 10 HKCAMO CCOc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc3ccc(C)nc3c2O)ccc1O ZINC000019849872 558295382 /nfs/dbraw/zinc/29/53/82/558295382.db2.gz YYVXSAJIUCJTPC-QHCPKHFHSA-N 1 1 415.493 5.258 50 10 HKCAMO CCOC(=O)c1c(C)oc2c1c(C[N@@H+]1CCc3ccccc3C1)c(O)c1ccccc21 ZINC000019864001 569431584 /nfs/dbraw/zinc/43/15/84/569431584.db2.gz VAXADGNCVQLABU-UHFFFAOYSA-N 1 1 415.489 5.335 50 10 HKCAMO CCOC(=O)c1c(C)oc2c1c(C[N@H+]1CCc3ccccc3C1)c(O)c1ccccc21 ZINC000019864001 569431585 /nfs/dbraw/zinc/43/15/85/569431585.db2.gz VAXADGNCVQLABU-UHFFFAOYSA-N 1 1 415.489 5.335 50 10 HKCAMO CCCC[N@@H+](C)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000020233266 558350511 /nfs/dbraw/zinc/35/05/11/558350511.db2.gz AGDWQASCZMMXMS-XQNSMLJCSA-N 1 1 400.526 5.137 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc1)CC[C@@H](C)C2 ZINC000020532491 568628052 /nfs/dbraw/zinc/62/80/52/568628052.db2.gz SSVHYWMEZXNGEW-NJYVYQBISA-N 1 1 421.629 5.008 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc1)CC[C@@H](C)C2 ZINC000020532496 568628090 /nfs/dbraw/zinc/62/80/90/568628090.db2.gz HULANHNBNWIAED-NJYVYQBISA-N 1 1 421.629 5.293 50 10 HKCAMO Cc1cc2c(n1-c1ccc(C(=O)NCCC[N@@H+]3[C@H](C)CCC[C@@H]3C)cc1)CCCCC2 ZINC000020532507 568628427 /nfs/dbraw/zinc/62/84/27/568628427.db2.gz SNQSGRMQWHYHFE-OYRHEFFESA-N 1 1 421.629 5.437 50 10 HKCAMO CN(C)CC[N@H+](Cc1ccccc1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000020784436 558413437 /nfs/dbraw/zinc/41/34/37/558413437.db2.gz DSVNSFQYAABUED-UHFFFAOYSA-N 1 1 417.578 5.233 50 10 HKCAMO CN(C)CC[N@@H+](Cc1ccccc1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000020784436 558413441 /nfs/dbraw/zinc/41/34/41/558413441.db2.gz DSVNSFQYAABUED-UHFFFAOYSA-N 1 1 417.578 5.233 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000020910048 558422174 /nfs/dbraw/zinc/42/21/74/558422174.db2.gz VVVQMKIOPZYXBW-CYBMUJFWSA-N 1 1 403.860 5.094 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1 ZINC000020910051 558422190 /nfs/dbraw/zinc/42/21/90/558422190.db2.gz VVVQMKIOPZYXBW-ZDUSSCGKSA-N 1 1 403.860 5.094 50 10 HKCAMO Oc1c([C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021486947 568704160 /nfs/dbraw/zinc/70/41/60/568704160.db2.gz KZDXXHCDYIZAMN-IBGZPJMESA-N 1 1 406.835 5.798 50 10 HKCAMO Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021486948 568704185 /nfs/dbraw/zinc/70/41/85/568704185.db2.gz KZDXXHCDYIZAMN-LJQANCHMSA-N 1 1 406.835 5.798 50 10 HKCAMO Oc1c([C@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021548844 558441430 /nfs/dbraw/zinc/44/14/30/558441430.db2.gz MOGKPFGPMXIXNU-IBGZPJMESA-N 1 1 407.728 6.086 50 10 HKCAMO Oc1c([C@@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021548845 558441340 /nfs/dbraw/zinc/44/13/40/558441340.db2.gz MOGKPFGPMXIXNU-LJQANCHMSA-N 1 1 407.728 6.086 50 10 HKCAMO Oc1c([C@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021673443 558445524 /nfs/dbraw/zinc/44/55/24/558445524.db2.gz YALZROWWBROHGY-IBGZPJMESA-N 1 1 417.734 5.542 50 10 HKCAMO Oc1c([C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000021673446 558445728 /nfs/dbraw/zinc/44/57/28/558445728.db2.gz YALZROWWBROHGY-LJQANCHMSA-N 1 1 417.734 5.542 50 10 HKCAMO Cc1cc(O)c(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C ZINC000022029513 558459049 /nfs/dbraw/zinc/45/90/49/558459049.db2.gz GQDNGQVHSGPSOG-UHFFFAOYSA-N 1 1 414.593 5.731 50 10 HKCAMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000026771916 569357823 /nfs/dbraw/zinc/35/78/23/569357823.db2.gz HHDZJKDZTMYHPS-NWLCPASWSA-N 1 1 418.625 5.914 50 10 biogenic HKCAMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000026771918 569357852 /nfs/dbraw/zinc/35/78/52/569357852.db2.gz HHDZJKDZTMYHPS-CAISPOGKSA-N 1 1 418.625 5.914 50 10 biogenic HKCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)c1O ZINC000035999610 558796379 /nfs/dbraw/zinc/79/63/79/558796379.db2.gz QEJOOLDERKEIGD-QGZVFWFLSA-N 1 1 411.933 5.214 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC000036347384 569143749 /nfs/dbraw/zinc/14/37/49/569143749.db2.gz KNRRLBQVRWZMEO-NRFANRHFSA-N 1 1 416.443 5.216 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1O ZINC000036347385 569143795 /nfs/dbraw/zinc/14/37/95/569143795.db2.gz KNRRLBQVRWZMEO-OAQYLSRUSA-N 1 1 416.443 5.216 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347392 569143815 /nfs/dbraw/zinc/14/38/15/569143815.db2.gz BWPVJELHAPNDQG-QFIPXVFZSA-N 1 1 400.444 5.516 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000036347393 569143764 /nfs/dbraw/zinc/14/37/64/569143764.db2.gz BWPVJELHAPNDQG-JOCHJYFZSA-N 1 1 400.444 5.516 50 10 HKCAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1O ZINC000036347502 569144002 /nfs/dbraw/zinc/14/40/02/569144002.db2.gz FOFUDJHOZXCVHY-NRFANRHFSA-N 1 1 417.336 5.504 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(Cl)c(Cl)c2)c1O ZINC000036347502 569144003 /nfs/dbraw/zinc/14/40/03/569144003.db2.gz FOFUDJHOZXCVHY-NRFANRHFSA-N 1 1 417.336 5.504 50 10 HKCAMO COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1O ZINC000036347503 569143961 /nfs/dbraw/zinc/14/39/61/569143961.db2.gz FOFUDJHOZXCVHY-OAQYLSRUSA-N 1 1 417.336 5.504 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)c(Cl)c2)c1O ZINC000036347503 569143962 /nfs/dbraw/zinc/14/39/62/569143962.db2.gz FOFUDJHOZXCVHY-OAQYLSRUSA-N 1 1 417.336 5.504 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c1O ZINC000036347869 569144209 /nfs/dbraw/zinc/14/42/09/569144209.db2.gz DOYKPLGJPIRTEI-XMMPIXPASA-N 1 1 404.554 5.495 50 10 HKCAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1O ZINC000036347870 569144324 /nfs/dbraw/zinc/14/43/24/569144324.db2.gz DOYKPLGJPIRTEI-DEOSSOPVSA-N 1 1 404.554 5.495 50 10 HKCAMO Cc1ccc(O)c(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000036348462 569144661 /nfs/dbraw/zinc/14/46/61/569144661.db2.gz KTXKBEDDQCRAMV-QFIPXVFZSA-N 1 1 411.889 5.059 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000036348462 569144662 /nfs/dbraw/zinc/14/46/62/569144662.db2.gz KTXKBEDDQCRAMV-QFIPXVFZSA-N 1 1 411.889 5.059 50 10 HKCAMO Cc1ccc(O)c(C[N@@H+]2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000036348464 569144574 /nfs/dbraw/zinc/14/45/74/569144574.db2.gz KTXKBEDDQCRAMV-JOCHJYFZSA-N 1 1 411.889 5.059 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000036348464 569144575 /nfs/dbraw/zinc/14/45/75/569144575.db2.gz KTXKBEDDQCRAMV-JOCHJYFZSA-N 1 1 411.889 5.059 50 10 HKCAMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1 ZINC000037243119 569243150 /nfs/dbraw/zinc/24/31/50/569243150.db2.gz HHDZJKDZTMYHPS-QXXWXNSCSA-N 1 1 418.625 5.914 50 10 biogenic HKCAMO Oc1ccc(Cl)cc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522271 558805591 /nfs/dbraw/zinc/80/55/91/558805591.db2.gz ITDGEYXIJAACIY-OAQYLSRUSA-N 1 1 420.862 5.861 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522271 558805592 /nfs/dbraw/zinc/80/55/92/558805592.db2.gz ITDGEYXIJAACIY-OAQYLSRUSA-N 1 1 420.862 5.861 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522272 558805596 /nfs/dbraw/zinc/80/55/96/558805596.db2.gz ITDGEYXIJAACIY-NRFANRHFSA-N 1 1 420.862 5.861 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522272 558805597 /nfs/dbraw/zinc/80/55/97/558805597.db2.gz ITDGEYXIJAACIY-NRFANRHFSA-N 1 1 420.862 5.861 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037523523 569303672 /nfs/dbraw/zinc/30/36/72/569303672.db2.gz GCYNCVJJBCZTTQ-QFIPXVFZSA-N 1 1 400.444 5.516 50 10 HKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000037523524 569303687 /nfs/dbraw/zinc/30/36/87/569303687.db2.gz GCYNCVJJBCZTTQ-JOCHJYFZSA-N 1 1 400.444 5.516 50 10 HKCAMO CN(C)c1ccc(CN(C)C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1 ZINC000040103368 571163979 /nfs/dbraw/zinc/16/39/79/571163979.db2.gz JPDWYIMZDIDGIE-UHFFFAOYSA-N 1 1 408.590 5.181 50 10 HKCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2cccc3ccccc32)C1 ZINC000043125167 526212432 /nfs/dbraw/zinc/21/24/32/526212432.db2.gz FLSFNOGHRZSFOP-IBGZPJMESA-N 1 1 413.521 5.324 50 10 HKCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc3ccccc32)C1 ZINC000043125169 526213598 /nfs/dbraw/zinc/21/35/98/526213598.db2.gz FLSFNOGHRZSFOP-LJQANCHMSA-N 1 1 413.521 5.324 50 10 HKCAMO Cc1cc(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000058123589 558899962 /nfs/dbraw/zinc/89/99/62/558899962.db2.gz ONCFJBOREPBJSK-JOCHJYFZSA-N 1 1 415.364 5.757 50 10 HKCAMO Cc1cc(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000058123594 558900027 /nfs/dbraw/zinc/90/00/27/558900027.db2.gz ONCFJBOREPBJSK-QFIPXVFZSA-N 1 1 415.364 5.757 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000072275428 558701909 /nfs/dbraw/zinc/70/19/09/558701909.db2.gz YDMKQJYJOHBBCV-OAHLLOKOSA-N 1 1 418.875 5.003 50 10 HKCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000072275429 558701898 /nfs/dbraw/zinc/70/18/98/558701898.db2.gz YDMKQJYJOHBBCV-HNNXBMFYSA-N 1 1 418.875 5.003 50 10 HKCAMO