smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2sc3c(c2c(N[NH+]=Cc2ccc(N(C)C)cc2)n1)CCCC3 ZINC000003897652 204114536 /nfs/dbraw/zinc/11/45/36/204114536.db2.gz FVHYKTZEABNYDQ-CIAFOILYSA-N 1 2 365.506 4.391 40 30 FIEBLO CCN1c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cn3)cc2C(C)=CC1(C)C ZINC000208509402 132268981 /nfs/dbraw/zinc/26/89/81/132268981.db2.gz DLJINFYQHGVWBB-WSDLNYQXSA-N 1 2 365.437 4.458 40 30 FIEBLO CC(=O)[C@H]1[C@H]([NH+]2CC2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004896642 204172771 /nfs/dbraw/zinc/17/27/71/204172771.db2.gz AJTIMAJVSIBUNA-AULMYGDYSA-N 1 2 355.522 4.018 40 30 FIEBLO Oc1ccccc1/C=N\CC1CCC(C/[NH+]=C\c2ccccc2O)CC1 ZINC000104128045 526369694 /nfs/dbraw/zinc/36/96/94/526369694.db2.gz IQUQYVNGKZBPPJ-MPKYGIEOSA-N 1 2 350.462 4.442 40 30 FIEBLO COC(=O)c1ccc(/N=C/c2cccn2-c2ccc([NH+](C)C)cc2)c(C)c1 ZINC000408959714 570702932 /nfs/dbraw/zinc/70/29/32/570702932.db2.gz DPWRPINFLJKDJJ-HZHRSRAPSA-N 1 2 361.445 4.389 40 30 FIEBLO CC[NH+](CC)c1ccc(NN=C(C#N)c2nc3c(s2)CCCC3)cc1 ZINC000253433683 571316809 /nfs/dbraw/zinc/31/68/09/571316809.db2.gz WOCDEWYTGMXDNK-UHFFFAOYSA-N 1 2 353.495 4.208 40 30 FIEBLO CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H]([NH+]4CC4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917663 206104396 /nfs/dbraw/zinc/10/43/96/206104396.db2.gz FNKWWXZAIWNFFS-BZBFZXGJSA-N 1 2 355.522 4.018 40 30 FIEBLO COc1ccccc1/C=C/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019848776 524316780 /nfs/dbraw/zinc/31/67/80/524316780.db2.gz BTWGXXKULYPJSW-LMKPGGDOSA-N 1 2 369.896 4.165 40 30 FIEBLO COc1ccc2[nH]cc(CC/[NH+]=C3\CCc4cc(OC)c(OC)cc43)c2c1 ZINC000096835210 570482176 /nfs/dbraw/zinc/48/21/76/570482176.db2.gz ZWTXTIKDWWTGBF-FCDQGJHFSA-N 1 2 364.445 4.172 40 30 FIEBLO C#CCOc1cccc(C[N@@H+]2CCc3[nH]c4ccc(OCC)cc4c3C2)c1 ZINC000019519901 571140763 /nfs/dbraw/zinc/14/07/63/571140763.db2.gz CCCOJGVHAAGXMF-UHFFFAOYSA-N 1 2 360.457 4.137 40 30 FIEBLO C#CCOc1cccc(C[N@H+]2CCc3[nH]c4ccc(OCC)cc4c3C2)c1 ZINC000019519901 571140764 /nfs/dbraw/zinc/14/07/64/571140764.db2.gz CCCOJGVHAAGXMF-UHFFFAOYSA-N 1 2 360.457 4.137 40 30 FIEBLO Cc1cc2c(cc1C=[NH+]Nc1ccc([N+](=O)[O-])cn1)[C@H](C)CC(C)(C)N2C ZINC000208216357 132268623 /nfs/dbraw/zinc/26/86/23/132268623.db2.gz HKLFZLJSSRJNCN-DACUGSJHSA-N 1 2 367.453 4.466 40 30 FIEBLO N#Cc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329037518 571326589 /nfs/dbraw/zinc/32/65/89/571326589.db2.gz ROAGJCJBNUKVLM-UHFFFAOYSA-N 1 2 369.472 4.347 40 30 FIEBLO Cc1sc2ncnc(N=NC(C)c3ccc(-n4cc[nH+]c4)cc3)c2c1C ZINC000006210981 204240941 /nfs/dbraw/zinc/24/09/41/204240941.db2.gz HHVAXDGTNHUPTR-YDZHTSKRSA-N 1 2 362.462 4.330 40 30 FIEBLO CCOc1cc(Cl)cc(/C=N/c2ccc(C[NH+]3CCOCC3)cc2)c1O ZINC000022362731 263385996 /nfs/dbraw/zinc/38/59/96/263385996.db2.gz ODYRYLJSXFSOEE-LPYMAVHISA-N 1 2 374.868 4.027 40 30 FIEBLO C=C[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408959849 570702914 /nfs/dbraw/zinc/70/29/14/570702914.db2.gz GWHPZQPVBSBJST-VVTMIQRTSA-N 1 2 367.474 4.154 40 30 FIEBLO COc1cc(N2CCCCC2)ccc1/C=[NH+]\NC(=S)Nc1ccccc1 ZINC000409244738 570744974 /nfs/dbraw/zinc/74/49/74/570744974.db2.gz IAWDCZFNYFUAHW-QNGOZBTKSA-N 1 2 368.506 4.006 40 30 FIEBLO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]/NC(=S)Nc1ccc(F)cc1 ZINC000007780262 204306655 /nfs/dbraw/zinc/30/66/55/204306655.db2.gz ZMWPEKBJUXXUAY-MYECPZRPSA-N 1 2 368.481 4.409 40 30 FIEBLO CN(C)c1ccc(C=[NH+]Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000005328489 570623641 /nfs/dbraw/zinc/62/36/41/570623641.db2.gz DLEOJXTTZCWFFC-KEBDBYFISA-N 1 2 352.316 4.126 40 30 FIEBLO Cc1ccc(C(=O)c2c(/C=C/[NH+](C)C)oc3cc(C#N)c(C#N)cc32)cc1 ZINC000066087651 571321267 /nfs/dbraw/zinc/32/12/67/571321267.db2.gz PPUNFGRZTBSISE-CMDGGOBGSA-N 1 2 355.397 4.248 40 30 FIEBLO CCN(CC)c1ccc(/C=[NH+]\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409041284 570715495 /nfs/dbraw/zinc/71/54/95/570715495.db2.gz ULTCRVJIPUNMPU-AFPJDJCSSA-N 1 2 359.289 4.247 40 30 FIEBLO C=CCN1CCc2cc(-c3c[nH+]cn3C[C@H](C)n3nc(C)cc3C)ccc21 ZINC000019719374 571140710 /nfs/dbraw/zinc/14/07/10/571140710.db2.gz XSHZRDWQCPOREQ-SFHVURJKSA-N 1 2 361.493 4.173 40 30 FIEBLO Cc1cccc2c(C)cc(N[NH+]=Cc3ccc(N4CCOCC4)cc3)nc12 ZINC000005007742 132255860 /nfs/dbraw/zinc/25/58/60/132255860.db2.gz QGKXTVOUHAVQTQ-HZHRSRAPSA-N 1 2 360.461 4.134 40 30 FIEBLO CC(=[NH+]Nc1ccccc1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000006368106 570646898 /nfs/dbraw/zinc/64/68/98/570646898.db2.gz XOTRPMMUKKMFJU-OEAKJJBVSA-N 1 2 363.383 4.378 40 30 FIEBLO Fc1cc(N2CCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cn1 ZINC000409102903 570724707 /nfs/dbraw/zinc/72/47/07/570724707.db2.gz UOLCTKAMRGVOHA-AUEPDCJTSA-N 1 2 352.335 4.286 40 30 FIEBLO CCOc1ccc(/[NH+]=C2\CCCN2C(=O)Nc2ccc(OC)cc2)cc1 ZINC000016778099 570861893 /nfs/dbraw/zinc/86/18/93/570861893.db2.gz VQUJABSDSYSVCS-XUTLUUPISA-N 1 2 353.422 4.452 40 30 FIEBLO CC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc2c(c1)OCCO2 ZINC000007778262 207206688 /nfs/dbraw/zinc/20/66/88/207206688.db2.gz GVEVGVADMLPVHU-WSDLNYQXSA-N 1 2 353.809 4.496 40 30 FIEBLO C=CCn1cc(C[N@H+](Cc2ccc(F)cc2)Cc2cccnc2)c(C)n1 ZINC000013569168 519278408 /nfs/dbraw/zinc/27/84/08/519278408.db2.gz UODKOYUEHXIDLK-UHFFFAOYSA-N 1 2 350.441 4.114 40 30 FIEBLO C=CCn1cc(C[N@@H+](Cc2ccc(F)cc2)Cc2cccnc2)c(C)n1 ZINC000013569168 519278410 /nfs/dbraw/zinc/27/84/10/519278410.db2.gz UODKOYUEHXIDLK-UHFFFAOYSA-N 1 2 350.441 4.114 40 30 FIEBLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000019715452 570899292 /nfs/dbraw/zinc/89/92/92/570899292.db2.gz BJWVKAWCKOLCQL-HNNXBMFYSA-N 1 2 374.510 4.269 40 30 FIEBLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000019715452 570899295 /nfs/dbraw/zinc/89/92/95/570899295.db2.gz BJWVKAWCKOLCQL-HNNXBMFYSA-N 1 2 374.510 4.269 40 30 FIEBLO CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1 ZINC000014186416 570518680 /nfs/dbraw/zinc/51/86/80/570518680.db2.gz FALPOVHTEQFUBT-CQSZACIVSA-N 1 2 359.539 4.195 40 30 FIEBLO CCN(CC)/C(=[NH+]\c1cc([N+](=O)[O-])ccc1C)c1ccc([N+](=O)[O-])cc1 ZINC000100542593 570761748 /nfs/dbraw/zinc/76/17/48/570761748.db2.gz QUPVZICKCZZTOK-HNENSFHCSA-N 1 2 356.382 4.232 40 30 FIEBLO CC(=O)Nc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1 ZINC000329042021 571108453 /nfs/dbraw/zinc/10/84/53/571108453.db2.gz SMRBELLWXYJDIK-GOSISDBHSA-N 1 2 369.469 4.134 40 30 FIEBLO CC(=O)[C@H]1[C@@H]([NH+]2CC2)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096902377 209160942 /nfs/dbraw/zinc/16/09/42/209160942.db2.gz AJTIMAJVSIBUNA-KVWWBZGASA-N 1 2 355.522 4.018 40 30 FIEBLO C=CCOc1ccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)cc1 ZINC000219858386 132374553 /nfs/dbraw/zinc/37/45/53/132374553.db2.gz WONFXQNJKVCMMQ-UHFFFAOYSA-N 1 2 350.462 4.415 40 30 FIEBLO C=CCN1CCc2cc(-c3c[nH+]cn3C[C@@H](C)n3nc(C)cc3C)ccc21 ZINC000019719375 571141072 /nfs/dbraw/zinc/14/10/72/571141072.db2.gz XSHZRDWQCPOREQ-GOSISDBHSA-N 1 2 361.493 4.173 40 30 FIEBLO Cc1cc(N2CCCC2)c(F)cc1/C=[NH+]\NC(=S)Nc1ccccc1 ZINC000033386200 571310498 /nfs/dbraw/zinc/31/04/98/571310498.db2.gz MNSJFXGDDPBZBQ-BKUYFWCQSA-N 1 2 356.470 4.055 40 30 FIEBLO N#Cc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328980396 571326556 /nfs/dbraw/zinc/32/65/56/571326556.db2.gz GMJNQFHLFFCATF-UHFFFAOYSA-N 1 2 369.472 4.347 40 30 FIEBLO CCOc1ccc(/[NH+]=C2\CCCN2C(=O)Nc2cccc(OC)c2)cc1 ZINC000016778101 571183402 /nfs/dbraw/zinc/18/34/02/571183402.db2.gz FCHLAVWMEJDACL-XUTLUUPISA-N 1 2 353.422 4.452 40 30 FIEBLO CC/[NH+]=C1/Sc2nc3ccc(OCC)cc3cc2CN1C[C@@H]1CCCO1 ZINC000001358798 219399512 /nfs/dbraw/zinc/39/95/12/219399512.db2.gz GFNKOFXCHJWBPG-UAFUQJIBSA-N 1 2 371.506 4.096 40 30 FIEBLO COc1ccc(I)c(/C=[NH+]\C2CCCCC2)c1C ZINC000104218162 209260239 /nfs/dbraw/zinc/26/02/39/209260239.db2.gz CVCNAWUXFANGIJ-YVLHZVERSA-N 1 2 357.235 4.360 40 30 FIEBLO Clc1ccc2c(c1)nccc2N[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000007786924 526967565 /nfs/dbraw/zinc/96/75/65/526967565.db2.gz GJIVWCUPMZAIRA-CIAFOILYSA-N 1 2 372.881 4.232 40 30 FIEBLO COC(=O)c1cccc(/N=C/c2cccn2-c2ccc([NH+](C)C)cc2)c1C ZINC000408961686 570703753 /nfs/dbraw/zinc/70/37/53/570703753.db2.gz UOZLLYQTOSRASY-HZHRSRAPSA-N 1 2 361.445 4.389 40 30 FIEBLO O=C(/C=C/c1ccc(Cl)cc1)/N=C1\[NH+]=C2N=CC=CN2Cc2ccccc21 ZINC000015906104 209598506 /nfs/dbraw/zinc/59/85/06/209598506.db2.gz LSIIGUNUZHUMBE-MOPFTHDSSA-N 1 2 374.831 4.096 40 30 FIEBLO CCOC(=O)c1c(C)oc2c1C(=CNc1cc[nH+]cc1)C(=O)c1ccccc1-2 ZINC000103788434 209256365 /nfs/dbraw/zinc/25/63/65/209256365.db2.gz ZAWJNXUDDKHCEE-ATVHPVEESA-N 1 2 374.396 4.476 40 30 FIEBLO COc1cc(C=NNc2cc[nH+]c3cc(Cl)ccc23)cc(OC)c1OC ZINC000006320038 207137846 /nfs/dbraw/zinc/13/78/46/207137846.db2.gz UAEVHBTYQVKISI-SSDVNMTOSA-N 1 2 371.824 4.360 40 30 FIEBLO CC[N@H+](CCCNC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 ZINC000225733491 521023277 /nfs/dbraw/zinc/02/32/77/521023277.db2.gz XCGZXGSKYXOUOB-UHFFFAOYSA-N 1 2 366.534 4.264 40 30 FIEBLO CC[N@@H+](CCCNC(=S)Nc1ccc(CC#N)cc1)c1ccc(C)cc1 ZINC000225733491 521023284 /nfs/dbraw/zinc/02/32/84/521023284.db2.gz XCGZXGSKYXOUOB-UHFFFAOYSA-N 1 2 366.534 4.264 40 30 FIEBLO COc1ccccc1/C=C/C=N/N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019848777 524315934 /nfs/dbraw/zinc/31/59/34/524315934.db2.gz BTWGXXKULYPJSW-HJEIRYQDSA-N 1 2 369.896 4.165 40 30 FIEBLO COCC/[NH+]=C1/Sc2nc3ccc(C)cc3cc2CN1C1CCCC1 ZINC000004858386 570671424 /nfs/dbraw/zinc/67/14/24/570671424.db2.gz WQZVWQGCICDHJN-QZQOTICOSA-N 1 2 355.507 4.396 40 30 FIEBLO C=C(Br)CNC(=O)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000005011239 570731950 /nfs/dbraw/zinc/73/19/50/570731950.db2.gz PMFFHYXVVVBLAK-UHFFFAOYSA-N 1 2 356.223 4.418 40 30 FIEBLO COc1ccc(I)c(/C=[NH+]/C2CCCCC2)c1C ZINC000017128002 570744017 /nfs/dbraw/zinc/74/40/17/570744017.db2.gz CVCNAWUXFANGIJ-LICLKQGHSA-N 1 2 357.235 4.360 40 30 FIEBLO CC1CC[NH+](CN2c3ccccc3/C(=N\c3cccc(Cl)c3)C2=O)CC1 ZINC000005427611 570776354 /nfs/dbraw/zinc/77/63/54/570776354.db2.gz FRAWPHVBYAUTLD-BSYVCWPDSA-N 1 2 367.880 4.497 40 30 FIEBLO Cc1[nH]c2ccc(N=Cc3ccc(Br)c([N+](=O)[O-])c3)cc2[nH+]1 ZINC000006399359 207139899 /nfs/dbraw/zinc/13/98/99/207139899.db2.gz SSBNQPGIPLQRGT-IUXPMGMMSA-N 1 2 359.183 4.293 40 30 FIEBLO COc1cc(N2CCCC2)ccc1C=[NH+]Nc1ccc(C(F)(F)F)cn1 ZINC000409109118 263527205 /nfs/dbraw/zinc/52/72/05/263527205.db2.gz YACIJKQNZSUZKV-FOKLQQMPSA-N 1 2 364.371 4.155 40 30 FIEBLO C[NH+](C)c1ccc(-n2cccc2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000408953935 570702467 /nfs/dbraw/zinc/70/24/67/570702467.db2.gz QSCYHOJWRWOGPZ-CFRMEGHHSA-N 1 2 373.382 4.403 40 30 FIEBLO CCN(CC)c1ccc(C=[NH+]Nc2ccc(C(F)(F)F)cn2)c(OC)c1 ZINC000409065189 570718387 /nfs/dbraw/zinc/71/83/87/570718387.db2.gz IBUAJOLAFQVCGG-FOKLQQMPSA-N 1 2 366.387 4.401 40 30 FIEBLO N#Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000329049077 210132915 /nfs/dbraw/zinc/13/29/15/210132915.db2.gz UNWBLUSPXFRVEK-UHFFFAOYSA-N 1 2 373.435 4.096 40 30 FIEBLO C[C@@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cn3)cc21 ZINC000208205597 132268424 /nfs/dbraw/zinc/26/84/24/132268424.db2.gz LZVQQTXHSQMNND-SRRANQMSSA-N 1 2 353.426 4.158 40 30 FIEBLO Cc1cc2c(cc1C=[NH+]Nc1ccc([N+](=O)[O-])cn1)C(C)=CC(C)(C)N2C ZINC000208456790 132268936 /nfs/dbraw/zinc/26/89/36/132268936.db2.gz CERUGPWNFAAAML-SSDVNMTOSA-N 1 2 365.437 4.376 40 30 FIEBLO CN(C)c1ccc(C=[NH+]Nc2cc(Cl)nc(-c3ccccc3)n2)cc1 ZINC000004713151 570670624 /nfs/dbraw/zinc/67/06/24/570670624.db2.gz SFDCIKKUFHMPQF-FYJGNVAPSA-N 1 2 351.841 4.309 40 30 FIEBLO C=CCOc1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219858448 534884388 /nfs/dbraw/zinc/88/43/88/534884388.db2.gz GNYKZYPOMJONCP-UHFFFAOYSA-N 1 2 350.462 4.415 40 30 FIEBLO Cc1cc2c(cc1C=[NH+]Nc1ccc([N+](=O)[O-])cn1)[C@@H](C)CC(C)(C)N2C ZINC000208216393 132268641 /nfs/dbraw/zinc/26/86/41/132268641.db2.gz HKLFZLJSSRJNCN-HYLGSWLWSA-N 1 2 367.453 4.466 40 30 FIEBLO C[NH+](C)c1ccc(-n2cccc2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408593698 570575014 /nfs/dbraw/zinc/57/50/14/570575014.db2.gz QYPLHWYKFUCIRC-KGENOOAVSA-N 1 2 364.405 4.002 40 30 FIEBLO CCOC(=O)c1cccc(/N=C\c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000408949599 570702067 /nfs/dbraw/zinc/70/20/67/570702067.db2.gz BMUNGKOOOVHLDI-KQWNVCNZSA-N 1 2 361.445 4.471 40 30 FIEBLO CSc1ccc(/C=N\N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000019790553 525950698 /nfs/dbraw/zinc/95/06/98/525950698.db2.gz VSPYOMHNIGPCBZ-STZFKDTASA-N 1 2 359.926 4.214 40 30 FIEBLO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]/NC(=S)Nc1ccccc1F ZINC000006298438 570624582 /nfs/dbraw/zinc/62/45/82/570624582.db2.gz TUGYDTOTJVHDMR-MYECPZRPSA-N 1 2 368.481 4.409 40 30 FIEBLO C/C(=C\C(=O)c1cn(CC[NH+]2CCOCC2)c2ccccc12)C(C)(C)C ZINC000299817205 571318854 /nfs/dbraw/zinc/31/88/54/571318854.db2.gz MBMNSYXHFHEPMX-BMRADRMJSA-N 1 2 354.494 4.149 40 30 in-vitro FIEBLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000019715453 211248315 /nfs/dbraw/zinc/24/83/15/211248315.db2.gz BJWVKAWCKOLCQL-OAHLLOKOSA-N 1 2 374.510 4.269 40 30 FIEBLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 ZINC000019715453 211248322 /nfs/dbraw/zinc/24/83/22/211248322.db2.gz BJWVKAWCKOLCQL-OAHLLOKOSA-N 1 2 374.510 4.269 40 30 FIEBLO C=C(C)C(C)(C)CC(=O)c1cn(CC[NH+]2CCOCC2)c2ccccc12 ZINC000299817200 571107965 /nfs/dbraw/zinc/10/79/65/571107965.db2.gz LORODOQLOVWDSW-UHFFFAOYSA-N 1 2 354.494 4.149 40 30 in-vitro FIEBLO CC(=O)Nc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329041878 571108396 /nfs/dbraw/zinc/10/83/96/571108396.db2.gz SKLRCXUFSVVHOU-UHFFFAOYSA-N 1 2 351.454 4.482 40 30 FIEBLO CC/[NH+]=C1/Sc2nc3ccc(OCC)cc3cc2CN1C[C@H]1CCCO1 ZINC000001358795 219399333 /nfs/dbraw/zinc/39/93/33/219399333.db2.gz GFNKOFXCHJWBPG-SGRLSNSRSA-N 1 2 371.506 4.096 40 30 FIEBLO O=[N+]([O-])c1ccc(O)c(C=NNc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000017428431 211185734 /nfs/dbraw/zinc/18/57/34/211185734.db2.gz FHLGDQDRBAZTID-CIAFOILYSA-N 1 2 358.357 4.448 40 30 FIEBLO COc1cc(C=[NH+]Nc2ccccc2)cc(C=NNc2ccccc2)c1O ZINC000035191177 522006567 /nfs/dbraw/zinc/00/65/67/522006567.db2.gz SJSJDFNAMYIVOG-OQRYGUKSSA-N 1 2 360.417 4.293 40 30 FIEBLO O=[N+]([O-])c1cccc(CO/[NH+]=C/c2ccc(N3CCCCC3)cc2F)c1 ZINC000408589554 570566902 /nfs/dbraw/zinc/56/69/02/570566902.db2.gz DSUDQOPBIWCYJL-FYJGNVAPSA-N 1 2 357.385 4.275 40 30 FIEBLO COc1cc(OC)c(OC)cc1C=NNc1cc[nH+]c2cc(Cl)ccc12 ZINC000005163812 570677217 /nfs/dbraw/zinc/67/72/17/570677217.db2.gz ZLJHPZGDBAQFMG-SSDVNMTOSA-N 1 2 371.824 4.360 40 30 FIEBLO COc1cc(N2CCCCC2)ccc1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000409239380 570743535 /nfs/dbraw/zinc/74/35/35/570743535.db2.gz MIDGXEMIXDYRTQ-XSFVSMFZSA-N 1 2 354.410 4.040 40 30 FIEBLO Fc1cc(C=[NH+]Nc2ccc(C(F)(F)F)cn2)ccc1N1CCCC1 ZINC000409097230 570723186 /nfs/dbraw/zinc/72/31/86/570723186.db2.gz HWHUOOSCGKRJLS-RMORIDSASA-N 1 2 352.335 4.286 40 30 FIEBLO O=[N+]([O-])c1ccc(O)c(C=NNc2c3ccccc3[nH+]c3ccccc32)c1 ZINC000104093211 222350786 /nfs/dbraw/zinc/35/07/86/222350786.db2.gz FHLGDQDRBAZTID-MTJSOVHGSA-N 1 2 358.357 4.448 40 30 FIEBLO C[C@H]1CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cn3)cc21 ZINC000208205637 132268289 /nfs/dbraw/zinc/26/82/89/132268289.db2.gz LZVQQTXHSQMNND-PUFAJPFRSA-N 1 2 353.426 4.158 40 30 FIEBLO C=C[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000408959848 570702959 /nfs/dbraw/zinc/70/29/59/570702959.db2.gz GWHPZQPVBSBJST-RVAQLADHSA-N 1 2 367.474 4.154 40 30 FIEBLO CCCCCCCCCCCCCCCCn1c[n+](N[N+](=O)[O-])cn1 ZINC000098001573 570497249 /nfs/dbraw/zinc/49/72/49/570497249.db2.gz YCORPJUMTMJAFP-UHFFFAOYSA-N 1 2 354.519 4.387 40 30 FIEBLO CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH+]4CC4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118917662 570560137 /nfs/dbraw/zinc/56/01/37/570560137.db2.gz FNKWWXZAIWNFFS-HKKOPPDYSA-N 1 2 355.522 4.018 40 30 FIEBLO CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1 ZINC000014186418 220115053 /nfs/dbraw/zinc/11/50/53/220115053.db2.gz FALPOVHTEQFUBT-AWEZNQCLSA-N 1 2 359.539 4.195 40 30 FIEBLO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCC3)sc2C1 ZINC000008471134 263354977 /nfs/dbraw/zinc/35/49/77/263354977.db2.gz QWKGKTHRRWUQLH-CQSZACIVSA-N 1 2 359.539 4.195 40 30 FIEBLO COC(=O)c1ccc(C)c(/N=C/c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000408960889 570703346 /nfs/dbraw/zinc/70/33/46/570703346.db2.gz PJQZEOHYRURXNR-HZHRSRAPSA-N 1 2 361.445 4.389 40 30 FIEBLO CC(=O)Nc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1 ZINC000329042022 571108461 /nfs/dbraw/zinc/10/84/61/571108461.db2.gz SMRBELLWXYJDIK-SFHVURJKSA-N 1 2 369.469 4.134 40 30 FIEBLO CC1=CC(C)(C)N(C)c2ccc(C=[NH+]Nc3ccc([N+](=O)[O-])cn3)cc21 ZINC000208436490 132268530 /nfs/dbraw/zinc/26/85/30/132268530.db2.gz PHTXNDHRNZWZMO-SRZZPIQSSA-N 1 2 351.410 4.068 40 30 FIEBLO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCC3)sc2C1 ZINC000008471158 263355284 /nfs/dbraw/zinc/35/52/84/263355284.db2.gz QWKGKTHRRWUQLH-AWEZNQCLSA-N 1 2 359.539 4.195 40 30 FIEBLO CCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000408955694 570702434 /nfs/dbraw/zinc/70/24/34/570702434.db2.gz YOLYEAPFTOXZKQ-XQNSMLJCSA-N 1 2 361.445 4.471 40 30 FIEBLO