smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/[NH+]=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000001360879 560578745 /nfs/dbraw/zinc/57/87/45/560578745.db2.gz XUDIRTKDFBFILC-WCWDXBQESA-N 1 2 405.523 5.064 40 30 HKEBLO O=C1C=CC2=[NH+][C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000002106027 560584333 /nfs/dbraw/zinc/58/43/33/560584333.db2.gz SNOJHUGTPWMMOU-AZSVPQILSA-N 1 2 408.501 5.196 40 30 HKEBLO Brc1cccc(/C=C/C=[NH+]/c2ccc3oc(-c4ccccc4)nc3c2)c1 ZINC000002893066 568815040 /nfs/dbraw/zinc/81/50/40/568815040.db2.gz JUVRSLYUJZPJJL-GHRZAKMRSA-N 1 2 403.279 6.673 40 30 HKEBLO C(=[NH+]Nc1ccc2ccccc2n1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 ZINC000003169477 560886493 /nfs/dbraw/zinc/88/64/93/560886493.db2.gz VNLLGUZUZFATLX-HGEKMQANSA-N 1 2 410.521 5.096 40 30 HKEBLO CCOP(=O)([NH+]=C(N[C@@H](C)c1ccccc1)N[C@@H](C)c1ccccc1)OCC ZINC000003202734 560588849 /nfs/dbraw/zinc/58/88/49/560588849.db2.gz RWGSNFKLDMHYDQ-ROUUACIJSA-N 1 2 403.463 5.225 40 30 HKEBLO Oc1ccccc1/C=N/c1ccc(CC2=CC=C(/[NH+]=C/c3ccccc3O)CC2)cc1 ZINC000003274088 560886844 /nfs/dbraw/zinc/88/68/44/560886844.db2.gz SHLNPQNHFBEQJW-UOSOPFLXSA-N 1 2 408.501 6.114 40 30 HKEBLO FC(F)(F)c1cc(N/C=[NH+]/c2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl ZINC000003671775 568867461 /nfs/dbraw/zinc/86/74/61/568867461.db2.gz UIGCBSSNYKAPIX-UHFFFAOYSA-N 1 2 401.137 6.803 40 30 HKEBLO O=C1C=CC2=[NH+][C@@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000004025711 560597256 /nfs/dbraw/zinc/59/72/56/560597256.db2.gz SNOJHUGTPWMMOU-QHWMMSMNSA-N 1 2 408.501 5.196 40 30 HKEBLO Cc1ccc(O)c(/C=[NH+]/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 ZINC000004073743 569321490 /nfs/dbraw/zinc/32/14/90/569321490.db2.gz RHCQKTVYOJLSRN-DPIVHWOBSA-N 1 2 423.641 6.283 40 30 HKEBLO O=C(c1ccccc1)N(C/C(Nc1ccccc1)=[NH+]/c1ccccc1)c1ccccc1 ZINC000004235302 557530632 /nfs/dbraw/zinc/53/06/32/557530632.db2.gz PGLQRKPDIJFEAM-UHFFFAOYSA-N 1 2 405.501 6.176 40 30 HKEBLO Ic1ccc(NC2=[NH+]C3(CCCCC3)Cc3ccccc32)cc1 ZINC000004492374 568934611 /nfs/dbraw/zinc/93/46/11/568934611.db2.gz FQJKDEJLRGEVPE-UHFFFAOYSA-N 1 2 416.306 5.218 40 30 HKEBLO C=CCCCCCCCC(=O)Nc1ccc(N(c2cc[nH+]cc2)c2ccccn2)nc1 ZINC000004531942 568963912 /nfs/dbraw/zinc/96/39/12/568963912.db2.gz WYOWTZYCIKRFOT-UHFFFAOYSA-N 1 2 415.541 6.197 40 30 HKEBLO O=C1/C(=N/c2ccccc2)c2ccccc2N1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004713897 560610935 /nfs/dbraw/zinc/61/09/35/560610935.db2.gz WJLJDYHMBOEPNM-BYCLXTJYSA-N 1 2 409.533 5.066 40 30 HKEBLO Cc1cc2c(cc1C)N1C(=CC3=C(C(=O)c4cc5ccccc5cc4C3=O)[C@@H]1C)C(C)=[NH+]2 ZINC000004774357 557596687 /nfs/dbraw/zinc/59/66/87/557596687.db2.gz SGGYTTHSALQSIX-KRWDZBQOSA-N 1 2 418.496 6.031 40 30 HKEBLO CCC/[NH+]=C1/Sc2nc3ccc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000004858409 560612153 /nfs/dbraw/zinc/61/21/53/560612153.db2.gz WAXUAJMFLYVWQB-WCWDXBQESA-N 1 2 405.523 5.146 40 30 HKEBLO Cc1ccc2cc3c(nc2c1)S/C(=[NH+]/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 ZINC000004858986 560612658 /nfs/dbraw/zinc/61/26/58/560612658.db2.gz AZVIZDNJUCAQQV-OCOZRVBESA-N 1 2 419.550 5.392 40 30 HKEBLO CC[C@@H](C)/[NH+]=C1/Sc2nc3cc(C)ccc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000004858987 560612680 /nfs/dbraw/zinc/61/26/80/560612680.db2.gz VNCBEEIQQWUFQU-DPQBTTMVSA-N 1 2 419.550 5.534 40 30 HKEBLO CC[C@H](C)/[NH+]=C1/Sc2nc3cc(C)ccc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000004858988 560612654 /nfs/dbraw/zinc/61/26/54/560612654.db2.gz VNCBEEIQQWUFQU-UPCARPLXSA-N 1 2 419.550 5.534 40 30 HKEBLO CCC/[NH+]=C1/Sc2nc3cc(C)c(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000004858989 560612672 /nfs/dbraw/zinc/61/26/72/560612672.db2.gz BLIDRERYTIKONQ-OCOZRVBESA-N 1 2 419.550 5.454 40 30 HKEBLO Cc1cccc2cc3c(nc12)S/C(=[NH+]/Cc1ccccc1)N(C1CCCCC1)C3 ZINC000004861353 560613967 /nfs/dbraw/zinc/61/39/67/560613967.db2.gz DBXIFKBRIASJLE-OCEACIFDSA-N 1 2 401.579 6.340 40 30 HKEBLO CCOc1ccc(NC(=[NH+]c2cccc3ccccc32)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004959784 560620913 /nfs/dbraw/zinc/62/09/13/560620913.db2.gz PGJOXJWOCXYUDX-UHFFFAOYSA-N 1 2 411.461 6.337 40 30 HKEBLO COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=[NH+]/CC(C)C ZINC000004967327 560622126 /nfs/dbraw/zinc/62/21/26/560622126.db2.gz SDSIVKWCPLDREJ-OCEACIFDSA-N 1 2 419.594 5.980 40 30 HKEBLO Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=[NH+]\C[C@@H]1CCCO1)S3 ZINC000004969520 560622431 /nfs/dbraw/zinc/62/24/31/560622431.db2.gz WUCVXMXVSLDDSX-NYRITSKKSA-N 1 2 423.626 5.873 40 30 HKEBLO Cc1ccc(C)c2nc3c(cc12)CN(C1CCC(C)CC1)/C(=[NH+]\C[C@H]1CCCO1)S3 ZINC000004969521 560622463 /nfs/dbraw/zinc/62/24/63/560622463.db2.gz WUCVXMXVSLDDSX-VFIJAKHFSA-N 1 2 423.626 5.873 40 30 HKEBLO Cc1cc2cc3c(nc2cc1C)S/C(=[NH+]/C[C@@H]1CCCO1)N(C1CCC(C)CC1)C3 ZINC000004969526 560622472 /nfs/dbraw/zinc/62/24/72/560622472.db2.gz BIQUWPVYQHIKBB-WWADIEQSSA-N 1 2 423.626 5.873 40 30 HKEBLO Cc1cc2cc3c(nc2cc1C)S/C(=[NH+]/C[C@H]1CCCO1)N(C1CCC(C)CC1)C3 ZINC000004969528 560622488 /nfs/dbraw/zinc/62/24/88/560622488.db2.gz BIQUWPVYQHIKBB-NAPNDLIJSA-N 1 2 423.626 5.873 40 30 HKEBLO COc1ccc(C=NNc2cc(C=Cc3ccccc3)[nH+]c3ccc(OC)cc23)cc1 ZINC000005249179 557641602 /nfs/dbraw/zinc/64/16/02/557641602.db2.gz MLRDYRWJEDJCJI-YWQNRBPGSA-N 1 2 409.489 5.868 40 30 HKEBLO CCCCCOc1ccc(C(=O)Oc2ccc(/[NH+]=C/C=C/c3ccccc3)cc2)cc1 ZINC000005418894 557652566 /nfs/dbraw/zinc/65/25/66/557652566.db2.gz KULAGGNKGVFJFO-FBGITGBUSA-N 1 2 413.517 6.891 40 30 HKEBLO Cc1cc2nc(-c3cc(/[NH+]=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3O)oc2c(C)c1 ZINC000005538950 557660325 /nfs/dbraw/zinc/66/03/25/557660325.db2.gz WFXIICJUABXDRJ-AKNWXVQLSA-N 1 2 413.433 6.141 40 30 HKEBLO Cc1cc2c(cc1C)N1C(=CC3=C(C(=O)c4cc5ccccc5cc4C3=O)[C@H]1C)C(C)=[NH+]2 ZINC000005552869 557661423 /nfs/dbraw/zinc/66/14/23/557661423.db2.gz SGGYTTHSALQSIX-QGZVFWFLSA-N 1 2 418.496 6.031 40 30 HKEBLO C(=[NH+]Nc1nc2ccccc2[nH]1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000005616804 560627778 /nfs/dbraw/zinc/62/77/78/560627778.db2.gz GMDCCOUZSQEWCC-ZXVVBBHZSA-N 1 2 403.489 6.479 40 30 HKEBLO C(=[NH+][N-]c1[nH]c2ccccc2[nH+]1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000005616804 560627779 /nfs/dbraw/zinc/62/77/79/560627779.db2.gz GMDCCOUZSQEWCC-ZXVVBBHZSA-N 1 2 403.489 6.479 40 30 HKEBLO COc1ccc(/[NH+]=C/N(Sc2ccccc2[N+](=O)[O-])c2ccc(OC)cc2)cc1 ZINC000005661427 557667079 /nfs/dbraw/zinc/66/70/79/557667079.db2.gz AKBIXFVVJSRSCC-PXLXIMEGSA-N 1 2 409.467 5.486 40 30 HKEBLO COc1ccc(NC(=CC=[NH+]c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1 ZINC000005798418 557675177 /nfs/dbraw/zinc/67/51/77/557675177.db2.gz CQLVNVPLYASMKU-HJVIKEODSA-N 1 2 408.501 6.713 40 30 HKEBLO O=[N+]([O-])c1ccc(N[NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000006045571 557685103 /nfs/dbraw/zinc/68/51/03/557685103.db2.gz KMPWTMLTCOLYCJ-LGUFXXKBSA-N 1 2 408.461 6.511 40 30 HKEBLO O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc([NH+]=C2CCCCC2)cc1 ZINC000006228329 569361853 /nfs/dbraw/zinc/36/18/53/569361853.db2.gz IFTUSBFOMFQKJB-UHFFFAOYSA-N 1 2 418.562 6.119 40 30 HKEBLO C(=[NH+]Nc1ccc2ccccc2n1)c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000006346322 560630155 /nfs/dbraw/zinc/63/01/55/560630155.db2.gz UHTNOQJZOCSDIU-XHLNEMQHSA-N 1 2 414.512 7.151 40 30 HKEBLO O=[N+]([O-])c1ccccc1N[NH+]=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000006399532 560630402 /nfs/dbraw/zinc/63/04/02/560630402.db2.gz XQDACJIRIIEQRA-LGUFXXKBSA-N 1 2 408.461 6.511 40 30 HKEBLO Fc1ccc(NC(=CC=[NH+]c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006863309 557727488 /nfs/dbraw/zinc/72/74/88/557727488.db2.gz UKBQCWAECQCXAA-KCWIKEJLSA-N 1 2 403.259 7.127 40 30 HKEBLO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]/NC(=S)Nc1ccccc1C(F)(F)F ZINC000007783782 557761263 /nfs/dbraw/zinc/76/12/63/557761263.db2.gz CJIRUSRKYQWILH-FECRQVCQSA-N 1 2 418.488 5.289 40 30 HKEBLO C=CCc1cc([C@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O ZINC000008036187 568976186 /nfs/dbraw/zinc/97/61/86/568976186.db2.gz QICPNRBBAUUSCA-HSZRJFAPSA-N 1 2 415.924 6.227 40 30 HKEBLO C=CCc1cc([C@@H](Nc2cccc[nH+]2)c2ccc(Cl)cc2)c2ccc(C)nc2c1O ZINC000008036188 568976295 /nfs/dbraw/zinc/97/62/95/568976295.db2.gz QICPNRBBAUUSCA-QHCPKHFHSA-N 1 2 415.924 6.227 40 30 HKEBLO C(=C/c1ccccc1)\C=[NH+]/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000008627091 557797594 /nfs/dbraw/zinc/79/75/94/557797594.db2.gz STBXUDANNKPDBL-NPQBPPGMSA-N 1 2 402.541 7.309 40 30 HKEBLO C[NH+](C)c1ccc(-n2ccc(/C=N/c3ccc(Br)c(Cl)c3)c2)cc1 ZINC000009265380 557834068 /nfs/dbraw/zinc/83/40/68/557834068.db2.gz RYFYKNSUBBCSCQ-WSDLNYQXSA-N 1 2 402.723 5.710 40 30 HKEBLO COc1cc(C=NNc2cc[nH+]c3cc(Cl)ccc23)ccc1OCc1ccccc1 ZINC000012562629 560781824 /nfs/dbraw/zinc/78/18/24/560781824.db2.gz KTPQROYEYRBGNU-JFLMPSFJSA-N 1 2 417.896 5.922 40 30 HKEBLO Clc1ccc2c(NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc[nH+]c2c1 ZINC000012570695 526967407 /nfs/dbraw/zinc/96/74/07/526967407.db2.gz FGCPNGNJSNPOIF-LQKURTRISA-N 1 2 423.907 6.187 40 30 HKEBLO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000012654866 560784153 /nfs/dbraw/zinc/78/41/53/560784153.db2.gz PNCLOCCGWGEWOW-OPEKNORGSA-N 1 2 414.271 5.621 40 30 HKEBLO c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)[NH2+]Nc2ccccc2)cc1 ZINC000013402530 558531551 /nfs/dbraw/zinc/53/15/51/558531551.db2.gz KIVQHQYEIKVWGY-YDWWYXFJSA-N 1 2 418.544 6.408 40 30 HKEBLO CC/[NH+]=C1\Sc2nc3c(C)cc(C)cc3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000013511096 560812016 /nfs/dbraw/zinc/81/20/16/560812016.db2.gz PWAYPTRNRFBQDS-VHXPQNKSSA-N 1 2 405.523 5.064 40 30 HKEBLO CC(C)C/[NH+]=C1\Sc2nc3cc4c(cc3cc2CN1Cc1cccs1)OCO4 ZINC000013511165 560812032 /nfs/dbraw/zinc/81/20/32/560812032.db2.gz QLJCIVKKWOPDIA-DQRAZIAOSA-N 1 2 411.552 5.145 40 30 HKEBLO CN(/N=C(\C=[NH+]\N(C)c1ccccc1)c1ccc(Br)cc1)c1ccccc1 ZINC000016188768 558776995 /nfs/dbraw/zinc/77/69/95/558776995.db2.gz UNIASKASSFVAJL-GIHPTVFISA-N 1 2 421.342 5.412 40 30 HKEBLO COc1ccc2[nH+]c(C=Cc3ccccc3)cc(NN=Cc3cccc([N+](=O)[O-])c3)c2c1 ZINC000016227752 558779733 /nfs/dbraw/zinc/77/97/33/558779733.db2.gz DISJTRMQNVVLLC-JUWNEVKWSA-N 1 2 424.460 5.768 40 30 HKEBLO Cc1ccc(/[NH+]=C/N(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000016291601 558783978 /nfs/dbraw/zinc/78/39/78/558783978.db2.gz BYOSFKNGNXZXAD-HYARGMPZSA-N 1 2 422.466 5.994 40 30 HKEBLO Clc1ccc(C(=CC=[NH+]c2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 ZINC000016398868 558789529 /nfs/dbraw/zinc/78/95/29/558789529.db2.gz RKBWMTDSKPNPDI-GVYGDHJUSA-N 1 2 401.724 7.502 40 30 HKEBLO Brc1ccc(/C=N/CCCC/[NH+]=C/c2ccc(Br)cc2)cc1 ZINC000016400322 558789677 /nfs/dbraw/zinc/78/96/77/558789677.db2.gz WWIXOSRBXXXTFR-JFMUQQRKSA-N 1 2 422.164 5.530 40 30 HKEBLO O=[N+]([O-])c1ccc(NCCC/[NH+]=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 ZINC000016450175 558792223 /nfs/dbraw/zinc/79/22/23/558792223.db2.gz PZJOTKKWBUMEEN-PCLIKHOPSA-N 1 2 423.900 5.466 40 30 HKEBLO O=[N+]([O-])c1cc(/C=C/C=[NH+]\c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000016490521 558794592 /nfs/dbraw/zinc/79/45/92/558794592.db2.gz SHNKDHXIGPBQOT-VPXYCZFYSA-N 1 2 422.282 6.517 40 30 HKEBLO O=[N+]([O-])c1ccc(NCCC[NH+]=C2c3ccccc3Cc3ccccc32)c(Cl)c1 ZINC000016545896 558795604 /nfs/dbraw/zinc/79/56/04/558795604.db2.gz SOUHVCMVNDEDMW-UHFFFAOYSA-N 1 2 405.885 5.492 40 30 HKEBLO O=C1/C(=C\c2ccc(Cl)c(Cl)c2)C[NH2+]C/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000016957515 526945854 /nfs/dbraw/zinc/94/58/54/526945854.db2.gz GJPXGFGIFQWUOC-GFIWHYBVSA-N 1 2 413.131 5.940 40 30 HKEBLO C(=C/c1ccccc1)\C=[NH+]\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000017013040 558811677 /nfs/dbraw/zinc/81/16/77/558811677.db2.gz STBXUDANNKPDBL-XAFSWMQVSA-N 1 2 402.541 7.309 40 30 HKEBLO O=C(N=C(NC(=[NH+]C1CCCCC1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017123590 558823278 /nfs/dbraw/zinc/82/32/78/558823278.db2.gz ORTZXBQWDGMNLO-UHFFFAOYSA-N 1 2 409.533 5.643 40 30 HKEBLO O=C1/C(=C/c2ccc(Cl)c(Cl)c2)C[NH2+]C/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000017198631 558825586 /nfs/dbraw/zinc/82/55/86/558825586.db2.gz GJPXGFGIFQWUOC-FUJGBLOQSA-N 1 2 413.131 5.940 40 30 HKEBLO c1ccc2c(c1)cccc2N/C(=[NH+]\c1cccc2ccccc21)c1cccc2ccccc21 ZINC000017302623 558826752 /nfs/dbraw/zinc/82/67/52/558826752.db2.gz YUIMICUJVAAINL-UHFFFAOYSA-N 1 2 422.531 8.337 40 30 HKEBLO C(/C=C\c1ccccc1)=[NH+]\c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000017355098 518369678 /nfs/dbraw/zinc/36/96/78/518369678.db2.gz STBXUDANNKPDBL-UIUJYVNLSA-N 1 2 402.541 7.309 40 30 HKEBLO N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019683193 569428402 /nfs/dbraw/zinc/42/84/02/569428402.db2.gz LJFMAPCPBRCDLE-UHFFFAOYSA-N 1 2 405.954 5.457 40 30 HKEBLO N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CC[N@H+](Cc1ccccc1)C2 ZINC000019683193 569428403 /nfs/dbraw/zinc/42/84/03/569428403.db2.gz LJFMAPCPBRCDLE-UHFFFAOYSA-N 1 2 405.954 5.457 40 30 HKEBLO Clc1ccccc1C[NH+]1CCN(/N=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000019790545 569326850 /nfs/dbraw/zinc/32/68/50/569326850.db2.gz HEKBRBDMBAWBPV-IMRQLAEWSA-N 1 2 419.956 5.071 40 30 HKEBLO Clc1ccccc1C[NH+]1CCN(/N=C\c2cccc(OCc3ccccc3)c2)CC1 ZINC000019790550 558282497 /nfs/dbraw/zinc/28/24/97/558282497.db2.gz RDKROQLFNRIYMY-IMRQLAEWSA-N 1 2 419.956 5.071 40 30 HKEBLO Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022468682 526344276 /nfs/dbraw/zinc/34/42/76/526344276.db2.gz BJCWHNIZGCOORD-WPWMEQJKSA-N 1 2 420.940 5.219 40 30 HKEBLO Clc1ccccc1C[NH+]1CCN(/N=C\c2c3ccccc3cc3ccccc32)CC1 ZINC000028349962 526987503 /nfs/dbraw/zinc/98/75/03/526987503.db2.gz IFXSCDOYHRYSCK-VEILYXNESA-N 1 2 413.952 5.798 40 30 HKEBLO CC1=[NH+]c2cc3ccccc3cc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000031759903 520899997 /nfs/dbraw/zinc/89/99/97/520899997.db2.gz LJVKRIPRGDEUOT-FYJGNVAPSA-N 1 2 412.876 5.838 40 30 HKEBLO Cc1cc(N2CCCC2)c(F)cc1C=[NH+]Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000033557609 569362394 /nfs/dbraw/zinc/36/23/94/569362394.db2.gz KHVQYSWOSVAJCC-MYKKPKGFSA-N 1 2 410.371 5.107 40 30 HKEBLO O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc([NH+]=C2CCCC2)cc1 ZINC000033627044 569362336 /nfs/dbraw/zinc/36/23/36/569362336.db2.gz VTIGWLVKPORWMM-UHFFFAOYSA-N 1 2 404.535 5.729 40 30 HKEBLO c1ccc(N=C2Nc3ccccc3C2=C2c3ccccc3NC2=[NH+]c2ccccc2)cc1 ZINC000033849212 526459857 /nfs/dbraw/zinc/45/98/57/526459857.db2.gz AFXSTDUJCLHWSC-QPLCGJKRSA-N 1 2 412.496 6.909 40 30 HKEBLO Clc1ccc(O/N=C(\Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000036378003 526957830 /nfs/dbraw/zinc/95/78/30/526957830.db2.gz WTLDJAQYAPHGFC-XQNSMLJCSA-N 1 2 415.107 5.980 40 30 HKEBLO c1ccc(N=C2Nc3ccccc3C2=C2c3ccccc3NC2=[NH+]c2ccccc2)cc1 ZINC000038175440 526460554 /nfs/dbraw/zinc/46/05/54/526460554.db2.gz AFXSTDUJCLHWSC-OCEACIFDSA-N 1 2 412.496 6.909 40 30 HKEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(Br)c(Cl)c2)cc1 ZINC000059104530 568700187 /nfs/dbraw/zinc/70/01/87/568700187.db2.gz JFEPAKWAHMULET-LPYMAVHISA-N 1 2 402.723 5.710 40 30 HKEBLO Brc1cc(/C=[NH+]/N(c2ccccc2)c2ccccc2)oc1N1CCCC1 ZINC000059302231 568705218 /nfs/dbraw/zinc/70/52/18/568705218.db2.gz CODZJGFYJIOLQR-XQNSMLJCSA-N 1 2 410.315 5.815 40 30 HKEBLO C(=[NH+]Nc1ccc2ccccc2n1)C1=C(N2CCOCC2)C(=Cc2ccccc2)CC1 ZINC000096400897 568721775 /nfs/dbraw/zinc/72/17/75/568721775.db2.gz VNLLGUZUZFATLX-YHBKODBMSA-N 1 2 410.521 5.096 40 30 HKEBLO CCCCCCCCOc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000097980754 569050061 /nfs/dbraw/zinc/05/00/61/569050061.db2.gz WZMSJLHRJJNACJ-OVVQPSECSA-N 1 2 409.961 7.074 40 30 HKEBLO CC1CC[NH+](CN2c3ccccc3/C(=N\c3ccc(F)c(C(F)(F)F)c3)C2=O)CC1 ZINC000100153268 560723928 /nfs/dbraw/zinc/72/39/28/560723928.db2.gz ZJZFUQGEAZCRHC-NHFJDJAPSA-N 1 2 419.422 5.001 40 30 HKEBLO c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)[NH2+]Nc2ccccc2)cc1 ZINC000100369435 559134598 /nfs/dbraw/zinc/13/45/98/559134598.db2.gz KIVQHQYEIKVWGY-GYNJYFOTSA-N 1 2 418.544 6.408 40 30 HKEBLO O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1C[N@@H+]1CCc2ccccc2C1 ZINC000100437403 560724696 /nfs/dbraw/zinc/72/46/96/560724696.db2.gz KCLCUVKZAYXUAJ-OHYPFYFLSA-N 1 2 417.512 5.323 40 30 HKEBLO O=C1/C(=N\c2ccc3ccccc3c2)c2ccccc2N1C[N@H+]1CCc2ccccc2C1 ZINC000100437403 560724698 /nfs/dbraw/zinc/72/46/98/560724698.db2.gz KCLCUVKZAYXUAJ-OHYPFYFLSA-N 1 2 417.512 5.323 40 30 HKEBLO Clc1ccc(NC(=CC=[NH+]c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000100661703 559137521 /nfs/dbraw/zinc/13/75/21/559137521.db2.gz CIYBGKFWZJITHM-BPODSWHHSA-N 1 2 401.724 7.502 40 30 HKEBLO CCCCCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@@H]1c1ccc(OC)cc1 ZINC000102068234 569027480 /nfs/dbraw/zinc/02/74/80/569027480.db2.gz MQYJBRIBYJJYCI-KYPHJKQUSA-N 1 2 409.570 6.025 40 30 HKEBLO CCCCCCC[C@H]1C(=O)C[C@@H](c2ccc(OC)cc2)[NH2+][C@H]1c1ccc(OC)cc1 ZINC000102128957 569031617 /nfs/dbraw/zinc/03/16/17/569031617.db2.gz MQYJBRIBYJJYCI-GNKBHMEESA-N 1 2 409.570 6.025 40 30 HKEBLO O=C1C=CC2=[NH+][C@@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000102805391 559152952 /nfs/dbraw/zinc/15/29/52/559152952.db2.gz SNOJHUGTPWMMOU-QSEAXJEQSA-N 1 2 408.501 5.196 40 30 HKEBLO O=C1C=CC2=[NH+][C@@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccc(O)cc3)N4C2=C1 ZINC000102805395 559152981 /nfs/dbraw/zinc/15/29/81/559152981.db2.gz SNOJHUGTPWMMOU-VMODYCNZSA-N 1 2 408.501 5.196 40 30 HKEBLO C(=C\c1ccccc1)\C=[NH+]/c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 ZINC000104058480 559157608 /nfs/dbraw/zinc/15/76/08/559157608.db2.gz STBXUDANNKPDBL-NSDXQKPXSA-N 1 2 402.541 7.309 40 30 HKEBLO CCCCCCCCCCCCCCCCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000104184319 559158798 /nfs/dbraw/zinc/15/87/98/559158798.db2.gz TZSKSEVZYIKXFK-NDEPHWFRSA-N 1 2 415.730 8.002 40 30 HKEBLO CCCCCCCCCCCCCCCCCC[n+]1cccc([C@H]2CCC[N@@H+]2C)c1 ZINC000104184322 559158780 /nfs/dbraw/zinc/15/87/80/559158780.db2.gz TZSKSEVZYIKXFK-MUUNZHRXSA-N 1 2 415.730 8.002 40 30 HKEBLO CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H](C)c1ccc(OC)cc1 ZINC000104186142 559158761 /nfs/dbraw/zinc/15/87/61/559158761.db2.gz NESTUYGZJXVPCU-VWLOTQADSA-N 1 2 404.703 8.314 40 30 HKEBLO CCCCCCCCCCCCCCCC[N+](C)(C)[C@H](C)c1ccc(OC)cc1 ZINC000104186146 559158778 /nfs/dbraw/zinc/15/87/78/559158778.db2.gz NESTUYGZJXVPCU-RUZDIDTESA-N 1 2 404.703 8.314 40 30 HKEBLO CC1=[NH+]c2cc3ccccc3cc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000104200853 559158895 /nfs/dbraw/zinc/15/88/95/559158895.db2.gz LJVKRIPRGDEUOT-BKUYFWCQSA-N 1 2 412.876 5.838 40 30 HKEBLO CCCCCCCCCCCCCCCCCCOC(=[NH2+])c1ccc(O)c(OC)c1 ZINC000104324812 559160387 /nfs/dbraw/zinc/16/03/87/559160387.db2.gz FMYMVDOGOMAERA-UHFFFAOYSA-N 1 2 419.650 8.004 40 30 HKEBLO CCCCCCCCCCCCCCCCCCCCCCCCSC(N)=[NH2+] ZINC000104377349 559160696 /nfs/dbraw/zinc/16/06/96/559160696.db2.gz ZBIZDQHTOGDGEL-UHFFFAOYSA-N 1 2 412.772 9.215 40 30 HKEBLO CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@@H]2CCCC[C@@H]2C1 ZINC000104377642 559160699 /nfs/dbraw/zinc/16/06/99/559160699.db2.gz RRAUVBZLIQRUAF-ULJKERAFSA-N 1 2 406.763 8.905 40 30 HKEBLO CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@H]2CCCC[C@@H]2C1 ZINC000104377646 559160766 /nfs/dbraw/zinc/16/07/66/559160766.db2.gz RRAUVBZLIQRUAF-VSGBNLITSA-N 1 2 406.763 8.905 40 30 HKEBLO CCCCCCCCCCCCCCCC[N+]1(CCCC)C[C@@H]2CCCC[C@H]2C1 ZINC000104377648 559160707 /nfs/dbraw/zinc/16/07/07/559160707.db2.gz RRAUVBZLIQRUAF-NSOVKSMOSA-N 1 2 406.763 8.905 40 30 HKEBLO O=[N+]([O-])c1cc(/C=C/C=[NH+]/c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000104820406 559161657 /nfs/dbraw/zinc/16/16/57/559161657.db2.gz SHNKDHXIGPBQOT-XJLXESQPSA-N 1 2 422.282 6.517 40 30 HKEBLO C/C(=[NH+]\c1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)C(C)(C)C ZINC000109354571 569362917 /nfs/dbraw/zinc/36/29/17/569362917.db2.gz HKFBOLNUCLKASM-LHLOQNFPSA-N 1 2 420.578 6.221 40 30 HKEBLO Cc1ccc(O)c(/C=[NH+]/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1 ZINC000118918965 558545578 /nfs/dbraw/zinc/54/55/78/558545578.db2.gz RHCQKTVYOJLSRN-AIIKRVROSA-N 1 2 423.641 6.283 40 30 HKEBLO C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=[NH+]\NC(=S)Nc3ccccc3)cc21 ZINC000208252690 568443698 /nfs/dbraw/zinc/44/36/98/568443698.db2.gz OHCLSFKVHFHJFO-CIKLGQITSA-N 1 2 400.979 5.383 40 30 HKEBLO C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=[NH+]\NC(=S)Nc3ccccc3)cc21 ZINC000208252732 568443686 /nfs/dbraw/zinc/44/36/86/568443686.db2.gz OHCLSFKVHFHJFO-LTOJSDLTSA-N 1 2 400.979 5.383 40 30 HKEBLO CCN1c2cc(C)c(C=[NH+]Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(C)=CC1(C)C ZINC000208510632 568446859 /nfs/dbraw/zinc/44/68/59/568446859.db2.gz BWHJNEPTMFNGST-YDZHTSKRSA-N 1 2 423.473 5.279 40 30 HKEBLO CC1=CC(C)(C)N(C(C)C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc21 ZINC000223474784 568549855 /nfs/dbraw/zinc/54/98/55/568549855.db2.gz KZFMJIDJUXSUEF-YDZHTSKRSA-N 1 2 423.473 5.359 40 30 HKEBLO c1ccc(CC(N=Nc2ccccc2)=C(Cc2ccccc2)[NH2+]Nc2ccccc2)cc1 ZINC000245239552 569370356 /nfs/dbraw/zinc/37/03/56/569370356.db2.gz KIVQHQYEIKVWGY-AVIMUQFTSA-N 1 2 418.544 6.408 40 30 HKEBLO O=[N+]([O-])c1cc(/C=C/C=[NH+]c2ccc(Nc3ccccc3)cc2)ccc1Br ZINC000254480474 569374846 /nfs/dbraw/zinc/37/48/46/569374846.db2.gz SHNKDHXIGPBQOT-AUUMHTELSA-N 1 2 422.282 6.517 40 30 HKEBLO CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329031719 569384683 /nfs/dbraw/zinc/38/46/83/569384683.db2.gz QKFNPMKWILMDIW-UHFFFAOYSA-N 1 2 401.514 6.240 40 30 HKEBLO Cc1ccc(N[NH+]=C2C=CC(=O)C(C=[NH+][N-]c3nc4ccccc4s3)=C2)cc1C ZINC000408725143 557781574 /nfs/dbraw/zinc/78/15/74/557781574.db2.gz CZPWPOMBOBLCED-VKDWVBNMSA-N 1 2 401.495 6.480 40 30 HKEBLO O=C1C=CC(=[NH+]Nc2cccc3ccccc32)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000408727254 558589434 /nfs/dbraw/zinc/58/94/34/558589434.db2.gz PMDSVQXVASUUMR-KXQKENBESA-N 1 2 423.501 7.017 40 30 HKEBLO Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408739270 558597748 /nfs/dbraw/zinc/59/77/48/558597748.db2.gz APZVUFNYDVMSIY-ZVHZXABRSA-N 1 2 410.359 5.982 40 30 HKEBLO COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc([NH+](C)C)cc3)c2C)ccc1Cl ZINC000408739635 558601057 /nfs/dbraw/zinc/60/10/57/558601057.db2.gz DMJYXYJSNORYLW-AFUMVMLFSA-N 1 2 409.917 5.351 40 30 HKEBLO Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408739811 558599446 /nfs/dbraw/zinc/59/94/46/558599446.db2.gz FWJNSNGEIYSGEP-CVKSISIWSA-N 1 2 402.567 5.723 40 30 HKEBLO Cc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000408741229 558599750 /nfs/dbraw/zinc/59/97/50/558599750.db2.gz ONNHAPRMDWVJSN-PXLXIMEGSA-N 1 2 416.550 5.052 40 30 HKEBLO Cc1cc(/C=[NH+]\C2CCCCC2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778165 558637035 /nfs/dbraw/zinc/63/70/35/558637035.db2.gz CEYFFIVIDPZWSJ-XKZIYDEJSA-N 1 2 420.338 5.759 40 30 HKEBLO Cc1cc(/C=[NH+]\C2CCCCC2)c(C)n1-c1ccc(I)cc1 ZINC000408781408 560641469 /nfs/dbraw/zinc/64/14/69/560641469.db2.gz CJLUGFVEQBBRMJ-BKUYFWCQSA-N 1 2 406.311 5.450 40 30 HKEBLO CCOC(=O)c1c(Cl)c(C=[NH+]Nc2ccccc2)oc1Nc1ccc(Cl)cc1 ZINC000408813996 560645049 /nfs/dbraw/zinc/64/50/49/560645049.db2.gz GLTKEEPCTSMGHE-FMCGGJTJSA-N 1 2 418.280 5.953 40 30 HKEBLO CCOC(=O)c1c(Cl)c(C=[NH+]Nc2ccccc2)oc1Nc1cccc(Cl)c1 ZINC000408816858 560644517 /nfs/dbraw/zinc/64/45/17/560644517.db2.gz UUHSBNQHEFNMRC-FMCGGJTJSA-N 1 2 418.280 5.953 40 30 HKEBLO Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)S2)c(C)c1 ZINC000408949231 560657079 /nfs/dbraw/zinc/65/70/79/560657079.db2.gz ADALKNCJSDHHSU-JCMHNJIXSA-N 1 2 416.550 5.052 40 30 HKEBLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 ZINC000408949783 558756639 /nfs/dbraw/zinc/75/66/39/558756639.db2.gz CEPWIABFMRTXIT-ZHZULCJRSA-N 1 2 422.941 5.088 40 30 HKEBLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408951061 558756981 /nfs/dbraw/zinc/75/69/81/558756981.db2.gz HRTAWRILWYNBJK-ZHZULCJRSA-N 1 2 422.941 5.088 40 30 HKEBLO Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)S2)cc1C ZINC000408951183 558756969 /nfs/dbraw/zinc/75/69/69/558756969.db2.gz IAIDJQHRFWADPG-JCMHNJIXSA-N 1 2 416.550 5.052 40 30 HKEBLO Cc1cccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)S2)c1C ZINC000408954014 558762059 /nfs/dbraw/zinc/76/20/59/558762059.db2.gz RLQLWBMYMKHIGV-JCMHNJIXSA-N 1 2 416.550 5.052 40 30 HKEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1 ZINC000408954276 558762318 /nfs/dbraw/zinc/76/23/18/558762318.db2.gz SHOFXCRBLNYZEU-TURZUDJPSA-N 1 2 405.501 6.707 40 30 HKEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000408954448 560657336 /nfs/dbraw/zinc/65/73/36/560657336.db2.gz SZXIJSXMZCAHRR-TWKHWXDSSA-N 1 2 423.604 6.762 40 30 HKEBLO Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc([NH+](C)C)cc3)S2)c1 ZINC000408956081 560657324 /nfs/dbraw/zinc/65/73/24/560657324.db2.gz ZXOWQMNBFADFID-JCMHNJIXSA-N 1 2 416.550 5.052 40 30 HKEBLO CCN1C(=O)/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)SC1=Nc1ccccc1 ZINC000408960036 558767373 /nfs/dbraw/zinc/76/73/73/558767373.db2.gz IGSLBIJKPAKQCO-OUUDUQSLSA-N 1 2 416.550 5.167 40 30 HKEBLO O=C1C=CC(=[NH+]Nc2ccccc2)C=C1C=NNC(F)(F)C(F)(F)C(F)(F)F ZINC000409046830 558894050 /nfs/dbraw/zinc/89/40/50/558894050.db2.gz KUZLWWZMKGNRNH-KDCQASJNSA-N 1 2 408.277 5.522 40 30 HKEBLO Cc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085525 560674228 /nfs/dbraw/zinc/67/42/28/560674228.db2.gz DDWSKFRFNFRAAU-ZMOGYAJESA-N 1 2 406.408 5.358 40 30 HKEBLO Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409097282 558932317 /nfs/dbraw/zinc/93/23/17/558932317.db2.gz MALMUWJNRXULOK-RPPGKUMJSA-N 1 2 401.436 5.020 40 30 HKEBLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[NH+]=Cc1ccc(N2CCCCC2)c(F)c1 ZINC000409097549 560676042 /nfs/dbraw/zinc/67/60/42/560676042.db2.gz MMPQRMXBTRRIDA-WYMPLXKRSA-N 1 2 410.371 5.189 40 30 HKEBLO COc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409100847 560677078 /nfs/dbraw/zinc/67/70/78/560677078.db2.gz XBGAQDARGRPBBQ-ZMOGYAJESA-N 1 2 422.407 5.059 40 30 HKEBLO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[NH+]=Cc1ccc(N2CCCCC2)cc1F ZINC000409102638 560677364 /nfs/dbraw/zinc/67/73/64/560677364.db2.gz ZDMUQZSCTFLUMK-WYMPLXKRSA-N 1 2 410.371 5.189 40 30 HKEBLO Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000409209471 559019349 /nfs/dbraw/zinc/01/93/49/559019349.db2.gz BUZJHERQVPBMEN-QMSJJHEMSA-N 1 2 424.614 5.249 40 30 HKEBLO CCCc1ccc(C[N@@H+]2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295245 568746461 /nfs/dbraw/zinc/74/64/61/568746461.db2.gz ROVZYNMEXXONPN-FQEVSTJZSA-N 1 2 407.543 5.426 40 30 HKEBLO CCCc1ccc(C[N@H+]2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295245 568746462 /nfs/dbraw/zinc/74/64/62/568746462.db2.gz ROVZYNMEXXONPN-FQEVSTJZSA-N 1 2 407.543 5.426 40 30 HKEBLO CCCc1ccc(C[N@@H+]2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295246 568746469 /nfs/dbraw/zinc/74/64/69/568746469.db2.gz ROVZYNMEXXONPN-HXUWFJFHSA-N 1 2 407.543 5.426 40 30 HKEBLO CCCc1ccc(C[N@H+]2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)o1 ZINC000585295246 568746471 /nfs/dbraw/zinc/74/64/71/568746471.db2.gz ROVZYNMEXXONPN-HXUWFJFHSA-N 1 2 407.543 5.426 40 30 HKEBLO N#Cc1ccnc(Nc2nc([C@@H]3CCCC[N@@H+]3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295354 568746121 /nfs/dbraw/zinc/74/61/21/568746121.db2.gz WKUNZIYSHCXAIQ-NRFANRHFSA-N 1 2 414.538 5.362 40 30 HKEBLO N#Cc1ccnc(Nc2nc([C@@H]3CCCC[N@H+]3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295354 568746123 /nfs/dbraw/zinc/74/61/23/568746123.db2.gz WKUNZIYSHCXAIQ-NRFANRHFSA-N 1 2 414.538 5.362 40 30 HKEBLO N#Cc1ccnc(Nc2nc([C@H]3CCCC[N@@H+]3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295355 568745903 /nfs/dbraw/zinc/74/59/03/568745903.db2.gz WKUNZIYSHCXAIQ-OAQYLSRUSA-N 1 2 414.538 5.362 40 30 HKEBLO N#Cc1ccnc(Nc2nc([C@H]3CCCC[N@H+]3Cc3cc4ccccc4[nH]3)cs2)c1 ZINC000585295355 568745904 /nfs/dbraw/zinc/74/59/04/568745904.db2.gz WKUNZIYSHCXAIQ-OAQYLSRUSA-N 1 2 414.538 5.362 40 30 HKEBLO