smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([NH+]=C2C=CC(C)(C(Cl)(Cl)Cl)C=C2)cc1C ZINC000000042706 563969237 /nfs/dbraw/zinc/96/92/37/563969237.db2.gz DZLQEGDECGAHQG-UHFFFAOYSA-N 1 0 328.670 5.878 50 30 EKEARO CC1(C)CC(N=Nc2c(Cl)cc(Cl)cc2Cl)CC(C)(C)[NH2+]1 ZINC000000240505 563989147 /nfs/dbraw/zinc/98/91/47/563989147.db2.gz OLVYPQJZCRMONU-UHFFFAOYSA-N 1 0 348.705 5.355 50 30 EKEARO C[NH+](C)CC[C@@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000000347538 563288039 /nfs/dbraw/zinc/28/80/39/563288039.db2.gz COHMSQBLJMBJBN-AWEZNQCLSA-N 1 0 330.884 5.050 50 30 EKEARO C[NH+](C)CC[C@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000000347539 563287996 /nfs/dbraw/zinc/28/79/96/563287996.db2.gz COHMSQBLJMBJBN-CQSZACIVSA-N 1 0 330.884 5.050 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]/[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000000493048 564017648 /nfs/dbraw/zinc/01/76/48/564017648.db2.gz MHVRYHFVOKXUDT-RXRGDLQPSA-N 1 0 342.398 5.237 50 30 EKEARO CCN1c2ccc(/C=[NH+]/Cc3ccc(F)cc3)cc2C(C)=CC1(C)C ZINC000000494789 564017903 /nfs/dbraw/zinc/01/79/03/564017903.db2.gz IPLMRWQDTHCQKO-BUVRLJJBSA-N 1 0 336.454 5.467 50 30 EKEARO N#Cc1c2c(cc3c4ccccc4cc[n+]13)-c1cccc3cccc-2c13 ZINC000001019607 209701217 /nfs/dbraw/zinc/70/12/17/209701217.db2.gz XFBXWBHGNVTJIW-UHFFFAOYSA-N 1 0 329.382 5.251 50 30 EKEARO CC(C)C(C#CC[NH+]1CCCCC1)(c1ccccc1)c1ccccc1 ZINC000001763584 564087381 /nfs/dbraw/zinc/08/73/81/564087381.db2.gz FMDQPLRMMIWUHW-UHFFFAOYSA-N 1 0 331.503 5.118 50 30 EKEARO C[C@@H]1CCC[C@H](C)[N@H+]1CC#CCC(c1ccccc1)c1ccccc1 ZINC000001817312 564088718 /nfs/dbraw/zinc/08/87/18/564088718.db2.gz UYHHYVBPVDGICP-OYRHEFFESA-N 1 0 331.503 5.475 50 30 EKEARO C[C@@H]1CCC[C@@H](C)[NH+]1CC#CCC(c1ccccc1)c1ccccc1 ZINC000001817313 209796994 /nfs/dbraw/zinc/79/69/94/209796994.db2.gz UYHHYVBPVDGICP-NHCUHLMSSA-N 1 0 331.503 5.475 50 30 EKEARO C[C@H]1CCC[C@H](C)[NH+]1CC#CCC(c1ccccc1)c1ccccc1 ZINC000001817314 564088725 /nfs/dbraw/zinc/08/87/25/564088725.db2.gz UYHHYVBPVDGICP-SFTDATJTSA-N 1 0 331.503 5.475 50 30 EKEARO C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc2ccccc21 ZINC000001955949 563416853 /nfs/dbraw/zinc/41/68/53/563416853.db2.gz ISINQMYEWJJNOB-SFHVURJKSA-N 1 0 338.430 5.238 50 30 EKEARO C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc2ccccc21 ZINC000001955951 563416775 /nfs/dbraw/zinc/41/67/75/563416775.db2.gz ISINQMYEWJJNOB-GOSISDBHSA-N 1 0 338.430 5.238 50 30 EKEARO C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccc2ccccc2c1 ZINC000001955952 563416732 /nfs/dbraw/zinc/41/67/32/563416732.db2.gz FSFQJJHNIYFCNG-SFHVURJKSA-N 1 0 338.430 5.238 50 30 EKEARO C[C@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1ccc2ccccc2c1 ZINC000001955954 563416896 /nfs/dbraw/zinc/41/68/96/563416896.db2.gz FSFQJJHNIYFCNG-GOSISDBHSA-N 1 0 338.430 5.238 50 30 EKEARO CCCCCCCCN(CC[NH+](C)C)c1cccc2ccccc21 ZINC000002022450 520033829 /nfs/dbraw/zinc/03/38/29/520033829.db2.gz XUHDUNFVMIZOLP-UHFFFAOYSA-N 1 0 326.528 5.568 50 30 EKEARO C[NH+](C)CCC[C@@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000002193156 258049649 /nfs/dbraw/zinc/04/96/49/258049649.db2.gz XPGZGKIYXGNBEM-HNNXBMFYSA-N 1 0 344.911 5.440 50 30 EKEARO C[NH+](C)CCC[C@H](C#N)c1ccccc1Sc1ccc(Cl)cc1 ZINC000002193157 258049295 /nfs/dbraw/zinc/04/92/95/258049295.db2.gz XPGZGKIYXGNBEM-OAHLLOKOSA-N 1 0 344.911 5.440 50 30 EKEARO CC(Nc1ccc(C2CCCC2)cc1)=[NH+]c1ccc(C2CCCC2)cc1 ZINC000002193166 563426632 /nfs/dbraw/zinc/42/66/32/563426632.db2.gz DZLHOGMVFFGBFY-UHFFFAOYSA-N 1 0 346.518 7.164 50 30 EKEARO Cc1ccc([C@H](CC/[NH+]=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000002277953 564125627 /nfs/dbraw/zinc/12/56/27/564125627.db2.gz AZIRMXJZJODAMB-IFYFYUDCSA-N 1 0 349.518 5.793 50 30 EKEARO CC1(C)C[C@](CC/[NH+]=C/c2ccccc2)(Cc2ccccc2)CCO1 ZINC000002281865 564130210 /nfs/dbraw/zinc/13/02/10/564130210.db2.gz LNVBUCUMDVWOPT-MPPWSMNASA-N 1 0 335.491 5.314 50 30 EKEARO CC1(C)C[C@@](CC/[NH+]=C/c2ccccc2)(Cc2ccccc2)CCO1 ZINC000002281867 564130244 /nfs/dbraw/zinc/13/02/44/564130244.db2.gz LNVBUCUMDVWOPT-KBICDOOXSA-N 1 0 335.491 5.314 50 30 EKEARO CC(C)(C)C(C#CC[NH+]1CCCC1)(c1ccccc1)c1ccccc1 ZINC000002287587 564130250 /nfs/dbraw/zinc/13/02/50/564130250.db2.gz QSUWRZNQZUZONQ-UHFFFAOYSA-N 1 0 331.503 5.118 50 30 EKEARO C/C(Cl)=C/C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 ZINC000002300451 564132107 /nfs/dbraw/zinc/13/21/07/564132107.db2.gz ULJOKHHTEHSMCI-RGEXLXHISA-N 1 0 338.902 5.335 50 30 EKEARO O=C(C[n+]1cccc2c3ccccc3ccc21)c1cccc2ccccc21 ZINC000002381395 564119034 /nfs/dbraw/zinc/11/90/34/564119034.db2.gz YPLCZKXTAQNYMK-UHFFFAOYSA-N 1 0 348.425 5.317 50 30 EKEARO Cc1ccc([C@@]2(CC/[NH+]=C/c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002477464 564149733 /nfs/dbraw/zinc/14/97/33/564149733.db2.gz ZETDSKUJZSVAAR-HHEUTOACSA-N 1 0 335.491 5.331 50 30 EKEARO Cc1ccc([C@]2(CC/[NH+]=C/c3ccccc3)CCOC(C)(C)C2)cc1 ZINC000002477467 564149753 /nfs/dbraw/zinc/14/97/53/564149753.db2.gz ZETDSKUJZSVAAR-WDRHXJDGSA-N 1 0 335.491 5.331 50 30 EKEARO O=C(C[n+]1cccc2c3ccccc3ccc21)c1ccc2ccccc2c1 ZINC000002519816 564119073 /nfs/dbraw/zinc/11/90/73/564119073.db2.gz IEDZXYQEFKSDSX-UHFFFAOYSA-N 1 0 348.425 5.317 50 30 EKEARO CCCCCCCC[NH2+][C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 ZINC000002561289 258049913 /nfs/dbraw/zinc/04/99/13/258049913.db2.gz BFCDFTHTSVTWOG-YLJYHZDGSA-N 1 0 337.573 5.559 50 30 in-man EKEARO O=C(C[n+]1cccc2ccccc21)c1ccc(C2CCCCC2)cc1 ZINC000002597865 563443829 /nfs/dbraw/zinc/44/38/29/563443829.db2.gz ZIEZWJDVASECLV-UHFFFAOYSA-N 1 0 330.451 5.058 50 30 EKEARO CCCCCCCC/[NH+]=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000003073265 519971117 /nfs/dbraw/zinc/97/11/17/519971117.db2.gz BADDRSHHZNWKJJ-JJIBRWJFSA-N 1 0 345.571 6.767 50 30 EKEARO CCN(CC)c1ccc(/C=[NH+]/C(c2ccccc2)c2ccccc2)cc1 ZINC000003180490 520883661 /nfs/dbraw/zinc/88/36/61/520883661.db2.gz PTXGYJJUKDYJCV-NCELDCMTSA-N 1 0 342.486 5.741 50 30 EKEARO CN(c1ccc(/C=[NH+]/C[C@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000003216648 523633854 /nfs/dbraw/zinc/63/38/54/523633854.db2.gz KMDQQGYCGTZUCM-KCOUNZPASA-N 1 0 344.458 5.206 50 30 EKEARO CN(c1ccc(/C=[NH+]/C[C@@H]2CCCO2)cc1)c1cccc2ccccc21 ZINC000003216650 523635462 /nfs/dbraw/zinc/63/54/62/523635462.db2.gz KMDQQGYCGTZUCM-DOZBRYHWSA-N 1 0 344.458 5.206 50 30 EKEARO CC12CC3(C)CC(C)(C1)CC(C/[NH+]=C/c1ccc([N+](=O)[O-])cc1)(C2)C3 ZINC000003898728 210088317 /nfs/dbraw/zinc/08/83/17/210088317.db2.gz WEUVFEFYVYTZHI-GZIVZEMBSA-N 1 0 340.467 5.400 50 30 EKEARO CN(C)c1ccc(/C=[NH+]/CC23CC4(C)CC(C)(CC(C)(C4)C2)C3)cc1 ZINC000003898729 564159658 /nfs/dbraw/zinc/15/96/58/564159658.db2.gz KZISKVFNDYRRAX-YSURURNPSA-N 1 0 338.539 5.558 50 30 EKEARO C[C@@H](CNc1ccccc1)/C(Nc1ccccc1)=[NH+]\c1ccccc1 ZINC000003921351 524756163 /nfs/dbraw/zinc/75/61/63/524756163.db2.gz FMNLIXOATSSPOP-SFHVURJKSA-N 1 0 329.447 5.577 50 30 EKEARO C[C@H](CNc1ccccc1)/C(Nc1ccccc1)=[NH+]\c1ccccc1 ZINC000003921353 524508519 /nfs/dbraw/zinc/50/85/19/524508519.db2.gz FMNLIXOATSSPOP-GOSISDBHSA-N 1 0 329.447 5.577 50 30 EKEARO CC(C)CC[C@]1(CC/[NH+]=C/c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073214 564061839 /nfs/dbraw/zinc/06/18/39/564061839.db2.gz JAPHEBBQVFDOLP-AVQLUFSJSA-N 1 0 329.528 5.753 50 30 EKEARO CC(C)CC[C@@]1(CC/[NH+]=C/c2ccccc2)CCO[C@@H](C(C)C)C1 ZINC000004073215 519688041 /nfs/dbraw/zinc/68/80/41/519688041.db2.gz JAPHEBBQVFDOLP-WGEODTKDSA-N 1 0 329.528 5.753 50 30 EKEARO CCCCN(/C=[NH+]/c1sc2c(c1C#N)CCCCC2)CCCC ZINC000004132145 520338228 /nfs/dbraw/zinc/33/82/28/520338228.db2.gz LNMCDHPMAMDGOL-RCCKNPSSSA-N 1 0 331.529 5.451 50 30 EKEARO CCN(CC)c1ccc(/C=[NH+]/N(c2ccccc2)c2ccccc2)cc1 ZINC000004180331 520881605 /nfs/dbraw/zinc/88/16/05/520881605.db2.gz YGBCLRRWZQSURU-LYBHJNIJSA-N 1 0 343.474 5.705 50 30 EKEARO Cc1ccc(NC/C(Nc2ccc(C)cc2)=[NH+]/c2ccc(C)cc2)cc1 ZINC000004235298 525965675 /nfs/dbraw/zinc/96/56/75/525965675.db2.gz KJNMEUXDWRATQZ-UHFFFAOYSA-N 1 0 343.474 5.866 50 30 EKEARO C[P+](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000004284448 210160979 /nfs/dbraw/zinc/16/09/79/210160979.db2.gz ZNZRNJQUEOMPOP-UHFFFAOYSA-N 1 0 325.324 5.616 50 30 in-vitro EKEARO [NH2+]=C(Nc1ccc(F)cc1)SCc1c(Cl)cccc1Cl ZINC000004322388 210170143 /nfs/dbraw/zinc/17/01/43/210170143.db2.gz JOUCELPGNWFVCV-UHFFFAOYSA-N 1 0 329.227 5.012 50 30 EKEARO O=[N+]([O-])c1ccc(/[S+]=c2/cc(-c3ccccc3)ss2)cc1 ZINC000004473082 210196786 /nfs/dbraw/zinc/19/67/86/210196786.db2.gz RWJZNZRIJHKMBZ-UHFFFAOYSA-N 1 0 332.451 5.058 50 30 EKEARO C=CCCCCCCCCC(=O)OCC[N+](C)(C)CCCCC ZINC000004566952 210222487 /nfs/dbraw/zinc/22/24/87/210222487.db2.gz BCURQXRPOSOHBD-UHFFFAOYSA-N 1 0 326.545 5.103 50 30 EKEARO C=CCCCCCCCCC(=O)OCC[N+](C)(C)CCCCCC ZINC000004566953 210222263 /nfs/dbraw/zinc/22/22/63/210222263.db2.gz QPMMXNNFQLHVEJ-UHFFFAOYSA-N 1 0 340.572 5.493 50 30 EKEARO C=CCCCCCCCCC(=O)NCC[N+](C)(C)CCCCCC ZINC000004566956 210221839 /nfs/dbraw/zinc/22/18/39/210221839.db2.gz ZFQBTADJJCEUAJ-UHFFFAOYSA-O 1 0 339.588 5.066 50 30 EKEARO CCCC[P+](CCCC)(CCCC)Cc1ccc([N+](=O)[O-])cc1 ZINC000004582554 210226315 /nfs/dbraw/zinc/22/63/15/210226315.db2.gz ZDYVKPPWUCRVDG-UHFFFAOYSA-N 1 0 338.452 6.513 50 30 EKEARO C=CC[C@]1(O)[C@H](CCC)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000004652798 210238669 /nfs/dbraw/zinc/23/86/69/210238669.db2.gz XLHFFKXZZVJLIA-PIAWWSJMSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CCC ZINC000004652799 210238754 /nfs/dbraw/zinc/23/87/54/210238754.db2.gz XLHFFKXZZVJLIA-KGZUAYNTSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@]1(O)[C@H](CCC)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1C ZINC000004652800 210238969 /nfs/dbraw/zinc/23/89/69/210238969.db2.gz XLHFFKXZZVJLIA-GPDNFFQDSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@@]1(O)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000004652801 210238359 /nfs/dbraw/zinc/23/83/59/210238359.db2.gz XLHFFKXZZVJLIA-OTGYPNLISA-N 1 0 349.518 5.432 50 30 EKEARO Cc1ccc([NH+]=C(Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000004774760 210275064 /nfs/dbraw/zinc/27/50/64/210275064.db2.gz YRLUURIDIAMWOG-UHFFFAOYSA-N 1 0 331.375 5.094 50 30 EKEARO CC1(C)C[C@H]([C@H](CC/[NH+]=C/c2ccccc2)c2ccccc2)CCO1 ZINC000004785735 563974492 /nfs/dbraw/zinc/97/44/92/563974492.db2.gz VSHGZYNYQYFIKY-DHIZSMKNSA-N 1 0 335.491 5.485 50 30 EKEARO CC1(C)C[C@@H]([C@H](CC/[NH+]=C/c2ccccc2)c2ccccc2)CCO1 ZINC000004785736 210278479 /nfs/dbraw/zinc/27/84/79/210278479.db2.gz VSHGZYNYQYFIKY-VCQNIWFMSA-N 1 0 335.491 5.485 50 30 EKEARO CCC[N+]1(CC#CCC(c2ccccc2)c2ccccc2)CCCCC1 ZINC000004806787 210281184 /nfs/dbraw/zinc/28/11/84/210281184.db2.gz USIDXIDZIUEJKU-UHFFFAOYSA-N 1 0 346.538 5.623 50 30 EKEARO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)c2ccccc2)cc1Cl ZINC000004811008 210283692 /nfs/dbraw/zinc/28/36/92/210283692.db2.gz KDQNZXLRBYTQND-ZDUSSCGKSA-N 1 0 336.262 5.409 50 30 EKEARO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)c2ccccc2)cc1Cl ZINC000004811009 210283489 /nfs/dbraw/zinc/28/34/89/210283489.db2.gz KDQNZXLRBYTQND-CYBMUJFWSA-N 1 0 336.262 5.409 50 30 EKEARO Cc1ccc([C@@H](CC/[NH+]=C/c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004859405 210303754 /nfs/dbraw/zinc/30/37/54/210303754.db2.gz AZIRMXJZJODAMB-UUPNMYHRSA-N 1 0 349.518 5.793 50 30 EKEARO Cc1ccc([C@H](CC/[NH+]=C/c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004859406 210303340 /nfs/dbraw/zinc/30/33/40/210303340.db2.gz AZIRMXJZJODAMB-RDQDHVKJSA-N 1 0 349.518 5.793 50 30 EKEARO Cc1ccc([C@@H](CC/[NH+]=C/c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004859407 210303328 /nfs/dbraw/zinc/30/33/28/210303328.db2.gz AZIRMXJZJODAMB-BSOBGVOESA-N 1 0 349.518 5.793 50 30 EKEARO CCN(CC)c1ccc(/C=[NH+]/CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000004980839 210348335 /nfs/dbraw/zinc/34/83/35/210348335.db2.gz WWYQPDJQZQCUIM-JJIBRWJFSA-N 1 0 338.539 5.558 50 30 EKEARO Brc1ccc([S+](c2ccccc2)c2ccccc2)cc1 ZINC000005018311 210363680 /nfs/dbraw/zinc/36/36/80/210363680.db2.gz SQJZJQJVWLTJNC-UHFFFAOYSA-N 1 0 342.281 5.545 50 30 EKEARO C=C(C)C[N@@H+](CC)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000005031978 564070559 /nfs/dbraw/zinc/07/05/59/564070559.db2.gz OBXWSHLVNRBHHA-UHFFFAOYSA-N 1 0 349.474 5.815 50 30 EKEARO C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@H]1C ZINC000005067232 210382089 /nfs/dbraw/zinc/38/20/89/210382089.db2.gz WVYVXHXBWSTQOR-HWHRFOGPSA-N 1 0 335.491 5.022 50 30 EKEARO CC(C)(C)c1csc(-c2cc(C(C)(C)C)[s+]c(C(C)(C)C)c2)c1 ZINC000005284281 564075075 /nfs/dbraw/zinc/07/50/75/564075075.db2.gz GSHWZPHIHCLPKJ-UHFFFAOYSA-N 1 0 347.613 6.718 50 30 EKEARO FC(F)Oc1ccc(/C=[NH+]/CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005445552 564032314 /nfs/dbraw/zinc/03/23/14/564032314.db2.gz REVBWEPVXINRGC-YDZHTSKRSA-N 1 0 333.422 5.313 50 30 EKEARO Cc1ccc(NC(Nc2ccc(C)cc2)=[NH+]c2ccc(C)cc2)cc1 ZINC000005659192 524990537 /nfs/dbraw/zinc/99/05/37/524990537.db2.gz VHULDBQGXDJTFU-UHFFFAOYSA-N 1 0 329.447 5.824 50 30 EKEARO C[C@@H](/N=C/c1ccc(/C=[NH+]/[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000005961676 564057334 /nfs/dbraw/zinc/05/73/34/564057334.db2.gz IEDQNNBCANUHPF-BYTAKIFUSA-N 1 0 340.470 6.047 50 30 EKEARO C/C(=[NH+]\OCc1ccccc1)c1cccc(N2Cc3ccccc3C2)c1 ZINC000006238001 518471985 /nfs/dbraw/zinc/47/19/85/518471985.db2.gz PXIAPQMCPKOQOG-HKOYGPOVSA-N 1 0 342.442 5.148 50 30 EKEARO Cc1c(C)c(C)c(CSC(=[NH2+])Nc2ccc(F)cc2)c(C)c1C ZINC000006469558 563568813 /nfs/dbraw/zinc/56/88/13/563568813.db2.gz AYXYQSADHMSCBT-UHFFFAOYSA-N 1 0 330.472 5.247 50 30 EKEARO COc1ccc(C)cc1[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000006651291 564095461 /nfs/dbraw/zinc/09/54/61/564095461.db2.gz ZWLCGBHZARHNCN-TWEIKEKHSA-N 1 0 348.490 5.058 50 30 EKEARO COc1ccc(C)cc1[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000006651296 564095484 /nfs/dbraw/zinc/09/54/84/564095484.db2.gz ZWLCGBHZARHNCN-QRGRWYIGSA-N 1 0 348.490 5.058 50 30 EKEARO CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 ZINC000006845992 520013218 /nfs/dbraw/zinc/01/32/18/520013218.db2.gz YXUPZGKORWTXID-UHFFFAOYSA-N 1 0 334.568 6.063 50 30 world EKEARO C=CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000006855832 518950381 /nfs/dbraw/zinc/95/03/81/518950381.db2.gz GFAJIAMRUIZVTO-UHFFFAOYSA-N 1 0 337.850 5.348 50 30 EKEARO C=CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000006855840 518950268 /nfs/dbraw/zinc/95/02/68/518950268.db2.gz UKSWHGDLELNEFF-UHFFFAOYSA-N 1 0 337.850 5.348 50 30 EKEARO C=CCOc1c(Cl)cc(C[NH2+]C(C)(C)CC(C)(C)C)cc1OC ZINC000006857343 519004003 /nfs/dbraw/zinc/00/40/03/519004003.db2.gz BSYNBNLLESSICQ-UHFFFAOYSA-N 1 0 339.907 5.218 50 30 EKEARO [NH2+]=C(NCc1ccccc1)SC(c1ccccc1)c1ccccc1 ZINC000007666008 564121709 /nfs/dbraw/zinc/12/17/09/564121709.db2.gz CBJXLDIOXXHXOZ-UHFFFAOYSA-N 1 0 332.472 5.024 50 30 EKEARO CCCCCCCC[NH2+][C@@H](C)[C@H](O)c1ccc(SC(C)C)cc1 ZINC000008035369 564133883 /nfs/dbraw/zinc/13/38/83/564133883.db2.gz BFCDFTHTSVTWOG-PXNSSMCTSA-N 1 0 337.573 5.559 50 30 in-man EKEARO CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1 ZINC000008035458 563619648 /nfs/dbraw/zinc/61/96/48/563619648.db2.gz WPSYTTKBGAZSCX-UHFFFAOYSA-N 1 0 338.987 6.490 50 30 in-man EKEARO CCCCCCCC[NH2+][C@H](C)[C@H](O)c1ccc(SC(C)C)cc1 ZINC000008143808 520037317 /nfs/dbraw/zinc/03/73/17/520037317.db2.gz BFCDFTHTSVTWOG-XLIONFOSSA-N 1 0 337.573 5.559 50 30 in-man EKEARO CCCCCCCC[NH2+][C@@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 ZINC000008143812 520037845 /nfs/dbraw/zinc/03/78/45/520037845.db2.gz BFCDFTHTSVTWOG-FXAWDEMLSA-N 1 0 337.573 5.559 50 30 in-man EKEARO CCCCCCCCCCCn1c2c(c(=[NH2+])c3c1CCCC3)CCC2 ZINC000008453858 563630767 /nfs/dbraw/zinc/63/07/67/563630767.db2.gz XDWACXPYNJBVDN-UHFFFAOYSA-N 1 0 342.571 5.866 50 30 EKEARO C=CCOc1c(Cl)cc(C[NH2+]C2CCCCCCC2)cc1OC ZINC000008470119 564072427 /nfs/dbraw/zinc/07/24/27/564072427.db2.gz WTNXJFMKLWNAIP-UHFFFAOYSA-N 1 0 337.891 5.116 50 30 EKEARO C=CCOc1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000008534526 564016323 /nfs/dbraw/zinc/01/63/23/564016323.db2.gz YEOXSLQYNABWHZ-IZQOUKSCSA-N 1 0 325.496 5.090 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]/[C@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000008739322 563638465 /nfs/dbraw/zinc/63/84/65/563638465.db2.gz MHVRYHFVOKXUDT-MFDGSOIASA-N 1 0 342.398 5.237 50 30 EKEARO CCCCCCCCCCCCCCCC[n+]1ccc(C(N)=O)cc1 ZINC000008829150 258053719 /nfs/dbraw/zinc/05/37/19/258053719.db2.gz VRBVMFOHQXSDDI-UHFFFAOYSA-O 1 0 347.567 5.554 50 30 EKEARO C=CC[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315586 211162581 /nfs/dbraw/zinc/16/25/81/211162581.db2.gz XDVPWRHLJRYXPM-UHFFFAOYSA-N 1 0 345.273 5.272 50 30 EKEARO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1nc(-c2ccccc2Cl)oc1C ZINC000011933251 211269663 /nfs/dbraw/zinc/26/96/63/211269663.db2.gz JCGFHEAEDBCMEW-GDBMZVCRSA-N 1 0 342.870 5.399 50 30 EKEARO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1C ZINC000011933886 211270430 /nfs/dbraw/zinc/27/04/30/211270430.db2.gz YNFQKJJLGMOTBK-UHFFFAOYSA-N 1 0 338.373 5.067 50 30 EKEARO CC(Nc1cc(C(F)(F)F)ccc1Cl)=[NH+]c1ccc(C)cc1 ZINC000012561734 564135323 /nfs/dbraw/zinc/13/53/23/564135323.db2.gz ZJVDNXPIYNTQSQ-UHFFFAOYSA-N 1 0 326.749 5.829 50 30 EKEARO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C ZINC000012716347 564073661 /nfs/dbraw/zinc/07/36/61/564073661.db2.gz PNRPRTPYOGQOGA-UHFFFAOYSA-N 1 0 338.373 5.067 50 30 EKEARO CN(C=CC=[N+](C)c1ccc2c(c1)Cc1ccccc1-2)c1ccccc1 ZINC000013063026 564076131 /nfs/dbraw/zinc/07/61/31/564076131.db2.gz SNOGDORTWXZACR-UHFFFAOYSA-N 1 0 339.462 5.253 50 30 EKEARO Clc1ccc(NC2=CC(=[NH+]c3ccc(Cl)cc3)CCC2)cc1 ZINC000013401327 564136359 /nfs/dbraw/zinc/13/63/59/564136359.db2.gz LWFMJQZDSYEVOT-RELWKKBWSA-N 1 0 331.246 6.246 50 30 EKEARO C=C(C)C[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CC ZINC000013451644 564130098 /nfs/dbraw/zinc/13/00/98/564130098.db2.gz SBRJFDJPIAPOCA-ODAXIHTASA-N 1 0 335.491 5.186 50 30 EKEARO C=C(C)C[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000013451649 564130101 /nfs/dbraw/zinc/13/01/01/564130101.db2.gz SBRJFDJPIAPOCA-AFXVXQJMSA-N 1 0 335.491 5.186 50 30 EKEARO C=C(C)C[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CC ZINC000013451654 564130105 /nfs/dbraw/zinc/13/01/05/564130105.db2.gz SBRJFDJPIAPOCA-LUKWVAJMSA-N 1 0 335.491 5.186 50 30 EKEARO O/N=C1\C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000013541014 258056239 /nfs/dbraw/zinc/05/62/39/258056239.db2.gz QWMMGJJMBIYAMK-AVEQMBOUSA-N 1 0 342.442 5.076 50 30 EKEARO C=CC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1C(C)C ZINC000013633517 564129018 /nfs/dbraw/zinc/12/90/18/564129018.db2.gz SABFVQHSNHWNOI-ODAXIHTASA-N 1 0 335.491 5.042 50 30 EKEARO C=CC[C@]1(O)C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1C(C)C ZINC000013633523 564129015 /nfs/dbraw/zinc/12/90/15/564129015.db2.gz SABFVQHSNHWNOI-LUKWVAJMSA-N 1 0 335.491 5.042 50 30 EKEARO C[N+](C)(C#CCc1ccccc1)C/C(Cl)=C(\Cl)c1ccccc1 ZINC000013739113 564073967 /nfs/dbraw/zinc/07/39/67/564073967.db2.gz HSRCOCFGKJAWOE-FMQUCBEESA-N 1 0 345.293 5.113 50 30 EKEARO CCCCCCCCCC[N+](C)(C)CCCCCCCCCC ZINC000014881137 564136383 /nfs/dbraw/zinc/13/63/83/564136383.db2.gz JGFDZZLUDWMUQH-UHFFFAOYSA-N 1 0 326.633 7.344 50 30 fda EKEARO C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@H]1C ZINC000015723151 563974313 /nfs/dbraw/zinc/97/43/13/563974313.db2.gz WVYVXHXBWSTQOR-QQUTXWOLSA-N 1 0 335.491 5.022 50 30 EKEARO C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@H](c2ccc(C)cc2)[C@@H]1C ZINC000015723154 563974320 /nfs/dbraw/zinc/97/43/20/563974320.db2.gz WVYVXHXBWSTQOR-AWDZXFJFSA-N 1 0 335.491 5.022 50 30 EKEARO C=CC[C@]1(O)C[C@H](c2ccc(C)cc2)[NH2+][C@@H](c2ccc(C)cc2)[C@@H]1C ZINC000015723157 211845553 /nfs/dbraw/zinc/84/55/53/211845553.db2.gz WVYVXHXBWSTQOR-MKWLTTDUSA-N 1 0 335.491 5.022 50 30 EKEARO C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1CCC ZINC000017143614 564129031 /nfs/dbraw/zinc/12/90/31/564129031.db2.gz XLHFFKXZZVJLIA-JXIQEMPDSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CCC ZINC000017143616 564038628 /nfs/dbraw/zinc/03/86/28/564038628.db2.gz XLHFFKXZZVJLIA-ZYAIEFSKSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1CCC ZINC000017143618 564129051 /nfs/dbraw/zinc/12/90/51/564129051.db2.gz XLHFFKXZZVJLIA-KCDSLRJUSA-N 1 0 349.518 5.432 50 30 EKEARO C=CC[C@]1(O)[C@H](C)[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@@H]1CCC ZINC000017143620 564038613 /nfs/dbraw/zinc/03/86/13/564038613.db2.gz XLHFFKXZZVJLIA-FBHBTBFLSA-N 1 0 349.518 5.432 50 30 EKEARO Cc1cccc(/C(NC2CCCCC2)=[NH+]\c2ccc(C)c(Cl)c2)c1 ZINC000017293700 524148198 /nfs/dbraw/zinc/14/81/98/524148198.db2.gz USSRDSJJYHOVAN-UHFFFAOYSA-N 1 0 340.898 5.957 50 30 EKEARO CCCCCCCCCCCCCCCC[n+]1ccn(CC(C)=O)c1 ZINC000017433869 520003789 /nfs/dbraw/zinc/00/37/89/520003789.db2.gz DBVXTXHHEDGFQV-UHFFFAOYSA-N 1 0 349.583 5.846 50 30 EKEARO Clc1ccc(CNC(Nc2ccccc2)=[NH+]C2CCCCC2)cc1 ZINC000017837551 526939794 /nfs/dbraw/zinc/93/97/94/526939794.db2.gz JCTOPHRZYRAFTP-UHFFFAOYSA-N 1 0 341.886 5.230 50 30 EKEARO CC(C)CN(/C=[NH+]/c1sc2c(c1C#N)CCCCC2)CC(C)C ZINC000017967093 563846724 /nfs/dbraw/zinc/84/67/24/563846724.db2.gz NEPJPYLPBJZQEA-FYJGNVAPSA-N 1 0 331.529 5.162 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]/[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1 ZINC000018128012 201993634 /nfs/dbraw/zinc/99/36/34/201993634.db2.gz MHVRYHFVOKXUDT-AIBKJFCZSA-N 1 0 342.398 5.237 50 30 EKEARO C=CCN1c2ccc(C)cc2C=C/C1=C\c1sc2ccccc2[n+]1C ZINC000020807889 212174146 /nfs/dbraw/zinc/17/41/46/212174146.db2.gz XTYJMAUTDJPSRU-UHFFFAOYSA-N 1 0 345.491 5.095 50 30 EKEARO CCCC[NH+](CC#CC=C(c1ccccc1)c1ccccc1)CCCC ZINC000020812961 212173197 /nfs/dbraw/zinc/17/31/97/212173197.db2.gz RANJNCBOFBLCDG-UHFFFAOYSA-N 1 0 345.530 6.024 50 30 EKEARO C=CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 ZINC000028427635 564079211 /nfs/dbraw/zinc/07/92/11/564079211.db2.gz VVFDNPRWJDYWPW-UHFFFAOYSA-N 1 0 336.262 5.156 50 30 EKEARO CCCCCCCCCCCCCCCC[n+]1ccn(CC#N)c1 ZINC000033353058 520002760 /nfs/dbraw/zinc/00/27/60/520002760.db2.gz SWDHLIRBKKMJAB-UHFFFAOYSA-N 1 0 332.556 5.780 50 30 EKEARO CCCCCCC[C@@](O)(CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000033355225 202259746 /nfs/dbraw/zinc/25/97/46/202259746.db2.gz ANPANNRAJVVNTK-JOCHJYFZSA-N 1 0 347.543 5.119 50 30 EKEARO CCCCCCC[C@](O)(CC[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000033355226 563974812 /nfs/dbraw/zinc/97/48/12/563974812.db2.gz ANPANNRAJVVNTK-QFIPXVFZSA-N 1 0 347.543 5.119 50 30 EKEARO O/N=C1\C[C@H](c2ccccc2)[NH2+][C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000033901448 564000118 /nfs/dbraw/zinc/00/01/18/564000118.db2.gz QWMMGJJMBIYAMK-LSFYZVNXSA-N 1 0 342.442 5.076 50 30 EKEARO C=CC[N@H+](Cc1cccn1Cc1ccccc1)Cc1ccc(C)cc1 ZINC000035840984 213050769 /nfs/dbraw/zinc/05/07/69/213050769.db2.gz KRKPTNYWGAVXKV-UHFFFAOYSA-N 1 0 330.475 5.033 50 30 EKEARO C=CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)[C@@H](C)c1ccccc1 ZINC000035843751 213050284 /nfs/dbraw/zinc/05/02/84/213050284.db2.gz HJUKCEWNKFYXSP-IBGZPJMESA-N 1 0 348.465 5.425 50 30 EKEARO C=CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)[C@H](C)c1ccccc1 ZINC000035843752 213050319 /nfs/dbraw/zinc/05/03/19/213050319.db2.gz HJUKCEWNKFYXSP-LJQANCHMSA-N 1 0 348.465 5.425 50 30 EKEARO C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2cccs2)C(C)C)o1 ZINC000036154632 213074974 /nfs/dbraw/zinc/07/49/74/213074974.db2.gz VWGJUTXOSBUNSI-UHFFFAOYSA-N 1 0 345.508 5.092 50 30 EKEARO CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 ZINC000038141586 520008437 /nfs/dbraw/zinc/00/84/37/520008437.db2.gz WNBGYVXHFTYOBY-UHFFFAOYSA-N 1 0 332.596 6.964 50 30 in-man EKEARO CCCCCCCCCC[n+]1cccc2cc(Br)ccc21 ZINC000038142124 520025211 /nfs/dbraw/zinc/02/52/11/520025211.db2.gz JTZCDPBNVFHBCG-UHFFFAOYSA-N 1 0 349.336 6.031 50 30 EKEARO C=CC[NH2+]Cc1c(OCc2cccc(Cl)c2)ccc2ccccc21 ZINC000040736102 518950314 /nfs/dbraw/zinc/95/03/14/518950314.db2.gz PCYPLBWMKKHRHA-UHFFFAOYSA-N 1 0 337.850 5.348 50 30 EKEARO CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C ZINC000043481770 563925763 /nfs/dbraw/zinc/92/57/63/563925763.db2.gz XCWLHPDVHVXFOI-UHFFFAOYSA-N 1 0 342.588 5.717 50 30 EKEARO Cc1cc2c(cc1C)NC1(CCCCCC1)C(=[NH+]CCC(C)C)N2 ZINC000046153063 563362277 /nfs/dbraw/zinc/36/22/77/563362277.db2.gz XUZBWLDYFZDXGJ-UHFFFAOYSA-N 1 0 327.516 5.678 50 30 EKEARO CCCCCCCCCCCCCC[C@@H](C(=O)OCC)[N+](C)(C)C ZINC000056898784 214393757 /nfs/dbraw/zinc/39/37/57/214393757.db2.gz ZLNOZGKIDHOPCS-FQEVSTJZSA-N 1 0 342.588 5.716 50 30 in-man EKEARO CCCCCCCCCCCCCC[C@H](C(=O)OCC)[N+](C)(C)C ZINC000056898785 214394170 /nfs/dbraw/zinc/39/41/70/214394170.db2.gz ZLNOZGKIDHOPCS-HXUWFJFHSA-N 1 0 342.588 5.716 50 30 in-man EKEARO C[N@H+](CC#CC=C(c1ccccc1)c1ccccc1)Cc1ccccc1 ZINC000057234782 564153425 /nfs/dbraw/zinc/15/34/25/564153425.db2.gz SATBUAPKQQMZLZ-UHFFFAOYSA-N 1 0 337.466 5.254 50 30 EKEARO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N(CC)CCC#N)cc2C)cc1 ZINC000057681748 564155483 /nfs/dbraw/zinc/15/54/83/564155483.db2.gz MYAXFGVFTOKUNR-LJQANCHMSA-N 1 0 349.522 5.148 50 30 EKEARO CCc1ccc([C@H](C)[NH2+]Cc2ccc(N(CC)CCC#N)cc2C)cc1 ZINC000057681749 564155461 /nfs/dbraw/zinc/15/54/61/564155461.db2.gz MYAXFGVFTOKUNR-IBGZPJMESA-N 1 0 349.522 5.148 50 30 EKEARO CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)c(C)c1 ZINC000059077952 563947634 /nfs/dbraw/zinc/94/76/34/563947634.db2.gz XIIJNYFARQEMEZ-UHFFFAOYSA-N 1 0 332.596 6.665 50 30 EKEARO CCCCCCCCCCCCCCCC[N@H+](C)CCN(C)C ZINC000059129319 563947753 /nfs/dbraw/zinc/94/77/53/563947753.db2.gz NHVAOQDNTIYRSX-UHFFFAOYSA-N 1 0 326.613 5.961 50 30 EKEARO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059578189 564161576 /nfs/dbraw/zinc/16/15/76/564161576.db2.gz NXMHCYYYZWMZEG-AWEZNQCLSA-N 1 0 344.380 5.303 50 30 EKEARO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000059578192 564161547 /nfs/dbraw/zinc/16/15/47/564161547.db2.gz NXMHCYYYZWMZEG-CQSZACIVSA-N 1 0 344.380 5.303 50 30 EKEARO C=CC[NH+](CC=C)CCCN1c2ccccc2Sc2ccccc21 ZINC000071766930 563929592 /nfs/dbraw/zinc/92/95/92/563929592.db2.gz VRIQPXSTNHBIHL-UHFFFAOYSA-N 1 0 336.504 5.353 50 30 EKEARO C=CCC(C[C@@H]1CC2CC[NH+]1CC2)(c1ccccc1)c1ccccc1 ZINC000071770738 564063780 /nfs/dbraw/zinc/06/37/80/564063780.db2.gz FSHIOOFVIRXGND-QHCPKHFHSA-N 1 0 331.503 5.423 50 30 EKEARO C=CCC(C[C@H]1CC2CC[NH+]1CC2)(c1ccccc1)c1ccccc1 ZINC000071770739 215823363 /nfs/dbraw/zinc/82/33/63/215823363.db2.gz FSHIOOFVIRXGND-HSZRJFAPSA-N 1 0 331.503 5.423 50 30 EKEARO CCCCCCC[n+]1ccc(/C=C/c2c(C)[nH]c3ccccc23)cc1 ZINC000072104245 216008048 /nfs/dbraw/zinc/00/80/48/216008048.db2.gz RODAKDRVZSMMNA-UHFFFAOYSA-O 1 0 333.499 5.905 50 30 EKEARO CCC(CC)c1cc[n+](Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000074206106 564133659 /nfs/dbraw/zinc/13/36/59/564133659.db2.gz XQFJSIWDFHGMRG-UHFFFAOYSA-N 1 0 341.478 5.465 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000078645612 217093025 /nfs/dbraw/zinc/09/30/25/217093025.db2.gz OKBAMLDTQCIKSN-UHFFFAOYSA-N 1 0 341.495 5.334 50 30 EKEARO Clc1ccc(NC2=CC(=[NH+]c3ccc(Cl)cc3)CCC2)cc1 ZINC000091302330 564133065 /nfs/dbraw/zinc/13/30/65/564133065.db2.gz LWFMJQZDSYEVOT-PYCFMQQDSA-N 1 0 331.246 6.246 50 30 EKEARO C[C@@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1O ZINC000095410936 564139656 /nfs/dbraw/zinc/13/96/56/564139656.db2.gz JVKUFDHEEIAOCB-SFHVURJKSA-N 1 0 342.442 5.027 50 30 EKEARO C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1O ZINC000095410937 218348178 /nfs/dbraw/zinc/34/81/78/218348178.db2.gz JVKUFDHEEIAOCB-GOSISDBHSA-N 1 0 342.442 5.027 50 30 EKEARO CCCCCCCCCCCCCCCCCC(=O)CC[NH+](C)C ZINC000095742865 563977636 /nfs/dbraw/zinc/97/76/36/563977636.db2.gz KPZVHSHJIULHQX-UHFFFAOYSA-N 1 0 339.608 6.769 50 30 EKEARO CCCCCCCCCCCCCCCCCCCC[N+](C)(C)C ZINC000095858492 563977714 /nfs/dbraw/zinc/97/77/14/563977714.db2.gz IVYJQUYTOJAORN-UHFFFAOYSA-N 1 0 340.660 7.734 50 30 EKEARO CCCCCCCCCCC[NH2+]CCCCCCCCCCC ZINC000096095145 563979197 /nfs/dbraw/zinc/97/91/97/563979197.db2.gz NKGSHSILLGXYDW-UHFFFAOYSA-N 1 0 325.625 7.638 50 30 in-vitro EKEARO CCCCCCCCOCC[NH+](C)CCOCCCCCCCC ZINC000097950566 563982130 /nfs/dbraw/zinc/98/21/30/563982130.db2.gz BBAQRYLRTHCATR-UHFFFAOYSA-N 1 0 343.596 5.672 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)c1ccc(OC)cc1)[N+](C)(C)C ZINC000097950622 563982114 /nfs/dbraw/zinc/98/21/14/563982114.db2.gz JMKAPSBUJQQULC-NRFANRHFSA-N 1 0 348.551 5.484 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)c1ccc(OC)cc1)[N+](C)(C)C ZINC000097950623 563982104 /nfs/dbraw/zinc/98/21/04/563982104.db2.gz JMKAPSBUJQQULC-OAQYLSRUSA-N 1 0 348.551 5.484 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)OC)[N+](C)(C)Cc1ccccc1 ZINC000097950624 520024359 /nfs/dbraw/zinc/02/43/59/520024359.db2.gz WHJNEXRQUQOSGB-NRFANRHFSA-N 1 0 348.551 5.335 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)OC)[N+](C)(C)Cc1ccccc1 ZINC000097950625 219063668 /nfs/dbraw/zinc/06/36/68/219063668.db2.gz WHJNEXRQUQOSGB-OAQYLSRUSA-N 1 0 348.551 5.335 50 30 EKEARO CCCCCCC[NH+](C/C=C/c1ccccc1)C/C=C/c1ccccc1 ZINC000097960185 563967513 /nfs/dbraw/zinc/96/75/13/563967513.db2.gz DSMUZZFYHDBSQQ-IWGRKNQJSA-N 1 0 347.546 6.686 50 30 EKEARO CCCCCCCCCCCCc1ccc(O)c(C[NH+](CC)CC)c1 ZINC000097973036 563982110 /nfs/dbraw/zinc/98/21/10/563982110.db2.gz AMGSNXSUOOFCRL-UHFFFAOYSA-N 1 0 347.587 6.697 50 30 EKEARO CCCCCCCCCCc1ccc2[nH+]c3ccccc3c(N)c2c1 ZINC000097973060 563968377 /nfs/dbraw/zinc/96/83/77/563968377.db2.gz HUIHWFWKDHVGJO-UHFFFAOYSA-N 1 0 334.507 6.653 50 30 EKEARO CCCCCCCCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000097973072 563968385 /nfs/dbraw/zinc/96/83/85/563968385.db2.gz CAUZLVODVIYYPR-UHFFFAOYSA-N 1 0 346.515 5.948 50 30 EKEARO CCCCCCCCCCCCCCCC(=O)OCC[NH2+]CC ZINC000097973082 563968391 /nfs/dbraw/zinc/96/83/91/563968391.db2.gz JFVHLZYUOUHQFA-UHFFFAOYSA-N 1 0 327.553 5.620 50 30 EKEARO CCCCCCCCCCCC[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000097973099 563968365 /nfs/dbraw/zinc/96/83/65/563968365.db2.gz DBLBNNZGDGMUOR-IBGZPJMESA-N 1 0 325.537 5.182 50 30 EKEARO CCCCCCCCCCCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000097973100 563968361 /nfs/dbraw/zinc/96/83/61/563968361.db2.gz DBLBNNZGDGMUOR-LJQANCHMSA-N 1 0 325.537 5.182 50 30 EKEARO CCCCCCCCCCCCSC(=[NH2+])NCc1ccccc1 ZINC000097981252 563982161 /nfs/dbraw/zinc/98/21/61/563982161.db2.gz WATCNHCEPDAEIL-UHFFFAOYSA-N 1 0 334.573 6.155 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000097994905 219066750 /nfs/dbraw/zinc/06/67/50/219066750.db2.gz NTWVUVXBOKEZCR-UHFFFAOYSA-N 1 0 333.903 6.359 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]CCC(=O)OC ZINC000100016089 563982277 /nfs/dbraw/zinc/98/22/77/563982277.db2.gz UUYAGWIWHCHYDK-UHFFFAOYSA-N 1 0 327.553 5.620 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]CCC(=O)OCC ZINC000100016092 219088202 /nfs/dbraw/zinc/08/82/02/219088202.db2.gz QBANCYONYOPMOT-UHFFFAOYSA-N 1 0 341.580 6.011 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]CCC(=O)NC ZINC000100016103 219087885 /nfs/dbraw/zinc/08/78/85/219087885.db2.gz NAXWZCDEZZAOBH-UHFFFAOYSA-N 1 0 326.569 5.193 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]CCC(=O)NCC ZINC000100016106 219087989 /nfs/dbraw/zinc/08/79/89/219087989.db2.gz WRFODTCDGKTXNO-UHFFFAOYSA-N 1 0 340.596 5.584 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]CCC[NH2+]CC ZINC000100016117 219088323 /nfs/dbraw/zinc/08/83/23/219088323.db2.gz MSBQEHHVLDLADY-UHFFFAOYSA-N 1 0 326.613 6.057 50 30 EKEARO CCCCCCCCCCCCCCCC[NH2+]Cc1cccs1 ZINC000100023245 563982279 /nfs/dbraw/zinc/98/22/79/563982279.db2.gz VURMRPLLFYFVEC-UHFFFAOYSA-N 1 0 337.617 7.319 50 30 EKEARO CCCCCCCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1 ZINC000100042545 563982316 /nfs/dbraw/zinc/98/23/16/563982316.db2.gz MHVSJTWBFBKHEG-UHFFFAOYSA-N 1 0 341.495 5.334 50 30 EKEARO CCCCCCCC[NH2+]Cc1c(OCCC)ccc2ccccc21 ZINC000100048830 258068729 /nfs/dbraw/zinc/06/87/29/258068729.db2.gz JNFOUBJRRDBCHB-UHFFFAOYSA-N 1 0 327.512 6.079 50 30 EKEARO CCCCCCCC[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000100048847 258068742 /nfs/dbraw/zinc/06/87/42/258068742.db2.gz JMSMTACBJPFVHW-UHFFFAOYSA-N 1 0 327.512 6.077 50 30 EKEARO CCCCCCCCCCCCCCCCCC[NH+]1CCOCC1 ZINC000100065855 258068752 /nfs/dbraw/zinc/06/87/52/258068752.db2.gz GSMSOLOCRKCJMR-UHFFFAOYSA-N 1 0 339.608 6.580 50 30 EKEARO CCCCCCCCCCCC[n+]1ccn(Cc2ccccc2)c1C ZINC000100068626 563982332 /nfs/dbraw/zinc/98/23/32/563982332.db2.gz SFHLQWDTFRLTLY-UHFFFAOYSA-N 1 0 341.563 6.053 50 30 EKEARO CCCCCCCCCCCC[N+](C)(C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000100072508 258068740 /nfs/dbraw/zinc/06/87/40/258068740.db2.gz IIMGMWFZVNJXQG-GMAHTHKFSA-N 1 0 348.595 6.106 50 30 EKEARO CCCCCCCCCCCCCC[NH+](CCCC)CCCC ZINC000100075539 219090553 /nfs/dbraw/zinc/09/05/53/219090553.db2.gz LLZGUAIXZXPTAR-UHFFFAOYSA-N 1 0 325.625 7.590 50 30 EKEARO CCCCCCCCCCCCCCCCCC[NH+]1CCCCC1 ZINC000100077039 519994330 /nfs/dbraw/zinc/99/43/30/519994330.db2.gz OIYRIYSVXPOOLN-UHFFFAOYSA-N 1 0 337.636 7.734 50 30 EKEARO CCCCCCCCNc1ccc(NCCCCCCCC)cc1 ZINC000100089988 219090805 /nfs/dbraw/zinc/09/08/05/219090805.db2.gz DFNXHHNFURNWAF-UHFFFAOYSA-N 1 0 332.576 7.231 50 30 EKEARO CC1(C)C[C@H]([C@@H](CC/[NH+]=C/c2ccccc2)c2ccccc2)CCO1 ZINC000100098660 206217076 /nfs/dbraw/zinc/21/70/76/206217076.db2.gz VSHGZYNYQYFIKY-PWRLBTGDSA-N 1 0 335.491 5.485 50 30 EKEARO CC1(C)C[C@@H]([C@@H](CC/[NH+]=C/c2ccccc2)c2ccccc2)CCO1 ZINC000100098662 219090901 /nfs/dbraw/zinc/09/09/01/219090901.db2.gz VSHGZYNYQYFIKY-PMZCVSDMSA-N 1 0 335.491 5.485 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000100126329 520056931 /nfs/dbraw/zinc/05/69/31/520056931.db2.gz ZCVPEWQLKAPICK-UHFFFAOYSA-N 1 0 341.495 5.334 50 30 EKEARO CCCCCCCCCCCCSC(=[NH2+])NC[C@@H]1CCCO1 ZINC000100167416 563982397 /nfs/dbraw/zinc/98/23/97/563982397.db2.gz HQVGLGQOHSPRIE-KRWDZBQOSA-N 1 0 328.566 5.134 50 30 EKEARO CCCCCCCCCCCCSC(=[NH2+])NC[C@H]1CCCO1 ZINC000100167421 563982405 /nfs/dbraw/zinc/98/24/05/563982405.db2.gz HQVGLGQOHSPRIE-QGZVFWFLSA-N 1 0 328.566 5.134 50 30 EKEARO CCCCCCCCCCCCCCCCCC[n+]1ccccc1 ZINC000100307556 563982528 /nfs/dbraw/zinc/98/25/28/563982528.db2.gz HIWVFNVUJDPDKS-UHFFFAOYSA-N 1 0 332.596 7.236 50 30 EKEARO CCCCCCCCCCCCCCCCNc1ccc(C[NH3+])cc1 ZINC000100312890 563982554 /nfs/dbraw/zinc/98/25/54/563982554.db2.gz MMENAVHICGTNAT-UHFFFAOYSA-N 1 0 346.603 7.039 50 30 EKEARO C=CCC1=CC=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C1=O ZINC000100440391 219099129 /nfs/dbraw/zinc/09/91/29/219099129.db2.gz PZRAYFJALQNJSL-CBPGUJEKSA-N 1 0 341.414 6.287 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]\[C@H]3C[C@@H]3c3ccccc3)cc2)cc1 ZINC000100477277 563992577 /nfs/dbraw/zinc/99/25/77/563992577.db2.gz MHVRYHFVOKXUDT-WDOSNKBOSA-N 1 0 342.398 5.237 50 30 EKEARO CCCCCCCCCCCCCCCCN1C=CC(=CN=O)C=C1 ZINC000100480733 563992600 /nfs/dbraw/zinc/99/26/00/563992600.db2.gz AUFXLGAHNYXCPW-UHFFFAOYSA-N 1 0 346.559 7.461 50 30 EKEARO CCCCCCCCCCCCSC(=[NH2+])N1CCC(C)CC1 ZINC000100611938 563982672 /nfs/dbraw/zinc/98/26/72/563982672.db2.gz JJKCBQFOEFJTBC-UHFFFAOYSA-N 1 0 326.594 6.307 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)Oc1ccccc1)[N+](C)(C)C ZINC000100657911 219103362 /nfs/dbraw/zinc/10/33/62/219103362.db2.gz PNBIEERNIFTESE-HXUWFJFHSA-N 1 0 334.524 5.198 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)Oc1ccccc1)[N+](C)(C)C ZINC000100657913 563982695 /nfs/dbraw/zinc/98/26/95/563982695.db2.gz PNBIEERNIFTESE-FQEVSTJZSA-N 1 0 334.524 5.198 50 30 EKEARO CCCCCCCCCCCCCC[N+](C)(C)CCOCCC#N ZINC000100684621 219104185 /nfs/dbraw/zinc/10/41/85/219104185.db2.gz HBQSEUPYCZAYQL-UHFFFAOYSA-N 1 0 339.588 5.694 50 30 EKEARO CCCCCCCCOC(=O)[C@H](CCCCCCCC)[N+](C)(C)C ZINC000100690024 219104513 /nfs/dbraw/zinc/10/45/13/219104513.db2.gz XQTNJGNVFZQJGS-FQEVSTJZSA-N 1 0 342.588 5.716 50 30 EKEARO CCCCCCCCOC(=O)[C@@H](CCCCCCCC)[N+](C)(C)C ZINC000100690026 564076251 /nfs/dbraw/zinc/07/62/51/564076251.db2.gz XQTNJGNVFZQJGS-HXUWFJFHSA-N 1 0 342.588 5.716 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)OCc1ccccc1)[N+](C)(C)C ZINC000100690034 564076263 /nfs/dbraw/zinc/07/62/63/564076263.db2.gz RXCBGONWLBEHJY-OAQYLSRUSA-N 1 0 348.551 5.335 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)OCc1ccccc1)[N+](C)(C)C ZINC000100690038 564076290 /nfs/dbraw/zinc/07/62/90/564076290.db2.gz RXCBGONWLBEHJY-NRFANRHFSA-N 1 0 348.551 5.335 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)OCCCCCC)[N+](C)(C)C ZINC000100690044 564076304 /nfs/dbraw/zinc/07/63/04/564076304.db2.gz UUPQKTPUYHFMEO-HXUWFJFHSA-N 1 0 342.588 5.716 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)OCCCCCC)[N+](C)(C)C ZINC000100690047 219104036 /nfs/dbraw/zinc/10/40/36/219104036.db2.gz UUPQKTPUYHFMEO-FQEVSTJZSA-N 1 0 342.588 5.716 50 30 EKEARO CCCCCCCCCC[C@H](C(=O)OC1CCCCC1)[N+](C)(C)C ZINC000100690050 520025548 /nfs/dbraw/zinc/02/55/48/520025548.db2.gz GITLQXAHPNEUHZ-HXUWFJFHSA-N 1 0 340.572 5.468 50 30 EKEARO CCCCCCCCCC[C@@H](C(=O)OC1CCCCC1)[N+](C)(C)C ZINC000100690053 219104093 /nfs/dbraw/zinc/10/40/93/219104093.db2.gz GITLQXAHPNEUHZ-FQEVSTJZSA-N 1 0 340.572 5.468 50 30 EKEARO CCCCCCCCCCCCCC[C@H](C(=O)OC)[N+](C)(C)C ZINC000100690056 219104537 /nfs/dbraw/zinc/10/45/37/219104537.db2.gz IYOCEKKDOFNCSS-LJQANCHMSA-N 1 0 328.561 5.325 50 30 EKEARO CCCCCCCCCCCCCC[C@@H](C(=O)OC)[N+](C)(C)C ZINC000100690060 219104063 /nfs/dbraw/zinc/10/40/63/219104063.db2.gz IYOCEKKDOFNCSS-IBGZPJMESA-N 1 0 328.561 5.325 50 30 EKEARO CCCCCCCCCCCC[C@H](C(=O)OCC)[n+]1ccccc1 ZINC000100690080 564076303 /nfs/dbraw/zinc/07/63/03/564076303.db2.gz NBEPGSDWTWDVLH-HXUWFJFHSA-N 1 0 334.524 5.389 50 30 EKEARO CCCCCCCCCCCC[C@@H](C(=O)OCC)[n+]1ccccc1 ZINC000100690084 564076284 /nfs/dbraw/zinc/07/62/84/564076284.db2.gz NBEPGSDWTWDVLH-FQEVSTJZSA-N 1 0 334.524 5.389 50 30 EKEARO CC(C)CC[C@]1(CC/[NH+]=C/c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000100759562 519696376 /nfs/dbraw/zinc/69/63/76/519696376.db2.gz JAPHEBBQVFDOLP-DSBNWKJFSA-N 1 0 329.528 5.753 50 30 EKEARO CC(C)CC[C@@]1(CC/[NH+]=C/c2ccccc2)CCO[C@H](C(C)C)C1 ZINC000100759563 219106086 /nfs/dbraw/zinc/10/60/86/219106086.db2.gz JAPHEBBQVFDOLP-CPXKFIDQSA-N 1 0 329.528 5.753 50 30 EKEARO C[C@@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000100839896 219108594 /nfs/dbraw/zinc/10/85/94/219108594.db2.gz IXJNSRRYDLWBGA-SUSCCPCOSA-N 1 0 349.261 5.235 50 30 EKEARO C[C@@H]1/C(=N\O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000100839905 219108803 /nfs/dbraw/zinc/10/88/03/219108803.db2.gz IXJNSRRYDLWBGA-IADJBYCMSA-N 1 0 349.261 5.235 50 30 EKEARO CCCCCCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100935807 563982836 /nfs/dbraw/zinc/98/28/36/563982836.db2.gz ONLWNBYEWNAUOB-UHFFFAOYSA-N 1 0 343.342 5.476 50 30 EKEARO CCCCCCCCCCCC(=O)NCCCCCC[NH+](C)C ZINC000101012043 219113681 /nfs/dbraw/zinc/11/36/81/219113681.db2.gz ZRAZJLWPAZUHQP-UHFFFAOYSA-N 1 0 326.569 5.146 50 30 EKEARO CCCCCCCCCCCCCCCCc1ccc([C@H](C)[NH3+])cc1 ZINC000101014071 520002837 /nfs/dbraw/zinc/00/28/37/520002837.db2.gz HMSPNMKQMDHBAY-QFIPXVFZSA-N 1 0 345.615 7.730 50 30 EKEARO CCCCCCCCCCCCCCCCc1ccc([C@@H](C)[NH3+])cc1 ZINC000101014075 563982902 /nfs/dbraw/zinc/98/29/02/563982902.db2.gz HMSPNMKQMDHBAY-JOCHJYFZSA-N 1 0 345.615 7.730 50 30 EKEARO CCCCCCCCCCCCOCC[N+](C)(C)Cc1ccccc1 ZINC000101014260 563982905 /nfs/dbraw/zinc/98/29/05/563982905.db2.gz SWTCNSQVRSSFNN-UHFFFAOYSA-N 1 0 348.595 6.201 50 30 EKEARO CCCCCCCCCCCCC[N+](C)(CCCC)CCCC ZINC000101019613 219114413 /nfs/dbraw/zinc/11/44/13/219114413.db2.gz RIRXTNWASIBXQP-UHFFFAOYSA-N 1 0 326.633 7.344 50 30 EKEARO CCCCCCCCCCCCCCC[NH+](CCCC)CCCC ZINC000101019918 219114546 /nfs/dbraw/zinc/11/45/46/219114546.db2.gz AYEDWYLBJFYHSE-UHFFFAOYSA-N 1 0 339.652 7.980 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000101352082 219123626 /nfs/dbraw/zinc/12/36/26/219123626.db2.gz CAHMXOGVSVJISG-UHFFFAOYSA-N 1 0 343.486 5.855 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000101352086 219123452 /nfs/dbraw/zinc/12/34/52/219123452.db2.gz ZGEDETSZNYFMHP-UHFFFAOYSA-N 1 0 325.496 5.716 50 30 EKEARO O/N=C1\C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000102056207 219182687 /nfs/dbraw/zinc/18/26/87/219182687.db2.gz QWMMGJJMBIYAMK-XOVADIOBSA-N 1 0 342.442 5.076 50 30 EKEARO CCCCCCCCCCCCCCC[n+]1cccc2ccccc21 ZINC000102375502 564020002 /nfs/dbraw/zinc/02/00/02/564020002.db2.gz DERQAVGHMWLZMH-UHFFFAOYSA-N 1 0 340.575 7.219 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC000102553679 219210694 /nfs/dbraw/zinc/21/06/94/219210694.db2.gz CNGPLDQKHHGCGZ-UHFFFAOYSA-N 1 0 332.315 5.842 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(OCC)c(Br)c1 ZINC000102553696 204041674 /nfs/dbraw/zinc/04/16/74/204041674.db2.gz KCOQXZGXIDNQFV-UHFFFAOYSA-N 1 0 342.321 5.298 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000102554238 219210463 /nfs/dbraw/zinc/21/04/63/219210463.db2.gz KDSORUKOWSMBQR-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000102557322 219210014 /nfs/dbraw/zinc/21/00/14/219210014.db2.gz NNCCWCBUASTNMP-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccc(C)cc2)c1 ZINC000102557376 204042122 /nfs/dbraw/zinc/04/21/22/204042122.db2.gz BZWKBIZMGZHECJ-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000102558231 219209738 /nfs/dbraw/zinc/20/97/38/219209738.db2.gz GLCXSZIGHOTPSE-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000102558281 219210448 /nfs/dbraw/zinc/21/04/48/219210448.db2.gz LJQFEMBAPQDLBL-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000102558351 204041258 /nfs/dbraw/zinc/04/12/58/204041258.db2.gz RCSDYEOWQXDXNO-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000102558400 204042200 /nfs/dbraw/zinc/04/22/00/204042200.db2.gz KNSOECXGTMUXGS-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000102559559 219209911 /nfs/dbraw/zinc/20/99/11/219209911.db2.gz XDVNNLHJADZIDL-UHFFFAOYSA-N 1 0 337.866 6.189 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000102559621 204041853 /nfs/dbraw/zinc/04/18/53/204041853.db2.gz QZWDKJAIZJZZLH-UHFFFAOYSA-N 1 0 333.903 6.359 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102559709 219210071 /nfs/dbraw/zinc/21/00/71/219210071.db2.gz LGVALDSCINSAJR-UHFFFAOYSA-N 1 0 340.294 6.313 50 30 EKEARO C=CCOc1c(Cl)cc(C[NH2+]CCCCCCCC)cc1OC ZINC000102560590 219209789 /nfs/dbraw/zinc/20/97/89/219209789.db2.gz YVFJCRKNDPYYPO-UHFFFAOYSA-N 1 0 339.907 5.364 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000102560812 219209992 /nfs/dbraw/zinc/20/99/92/219209992.db2.gz SHQOTXAJDSQLQZ-UHFFFAOYSA-N 1 0 340.294 6.313 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102560991 219210614 /nfs/dbraw/zinc/21/06/14/219210614.db2.gz CZLWSJRUALUECE-UHFFFAOYSA-N 1 0 340.294 6.313 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000102561701 520035070 /nfs/dbraw/zinc/03/50/70/520035070.db2.gz JEHCXDJZEHPSQN-UHFFFAOYSA-N 1 0 332.315 5.842 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000102561770 219209768 /nfs/dbraw/zinc/20/97/68/219209768.db2.gz DJFJXBSXUZENNI-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000102561782 219209908 /nfs/dbraw/zinc/20/99/08/219209908.db2.gz VRXXVCOQVNGABB-UHFFFAOYSA-N 1 0 341.923 5.588 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000102561798 219210701 /nfs/dbraw/zinc/21/07/01/219210701.db2.gz HNOPVMVZKNKQOL-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Br)ccc1OCC ZINC000102561808 563983231 /nfs/dbraw/zinc/98/32/31/563983231.db2.gz AOIYUKJMQTXJIV-UHFFFAOYSA-N 1 0 342.321 5.298 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000102561939 219210174 /nfs/dbraw/zinc/21/01/74/219210174.db2.gz CXHIANUQEXVZSJ-UHFFFAOYSA-N 1 0 343.486 5.855 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000102561949 219209761 /nfs/dbraw/zinc/20/97/61/219209761.db2.gz BFNOVHUVXUHKKD-UHFFFAOYSA-N 1 0 343.486 5.855 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000102561996 219210411 /nfs/dbraw/zinc/21/04/11/219210411.db2.gz ZKXFBNJPIDVDPE-UHFFFAOYSA-N 1 0 325.496 5.716 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000102562033 563983219 /nfs/dbraw/zinc/98/32/19/563983219.db2.gz PTCYWEKSVPVWSO-UHFFFAOYSA-N 1 0 343.486 5.855 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000102562118 206385911 /nfs/dbraw/zinc/38/59/11/206385911.db2.gz ZFKJWQQYYBSOAU-UHFFFAOYSA-N 1 0 325.496 5.716 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1 ZINC000102566586 204041324 /nfs/dbraw/zinc/04/13/24/204041324.db2.gz HPXFTHIWEUNGPV-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000102567630 219211242 /nfs/dbraw/zinc/21/12/42/219211242.db2.gz PHXNYLNIVIGTEQ-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000102568153 219211032 /nfs/dbraw/zinc/21/10/32/219211032.db2.gz OFFNKTXDCNKMIO-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000102568211 219210890 /nfs/dbraw/zinc/21/08/90/219210890.db2.gz MWKAPOHZLBHPAX-UHFFFAOYSA-N 1 0 329.459 5.465 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000102568220 219211390 /nfs/dbraw/zinc/21/13/90/219211390.db2.gz SFYDZARKFWLIEA-UHFFFAOYSA-N 1 0 329.459 5.465 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000102568241 219211203 /nfs/dbraw/zinc/21/12/03/219211203.db2.gz AHJDDAAIGDVAAE-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000102568251 204041435 /nfs/dbraw/zinc/04/14/35/204041435.db2.gz YSZJVGXPZKZOTF-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000102568290 520057230 /nfs/dbraw/zinc/05/72/30/520057230.db2.gz FEXLAXSEPAIVHZ-UHFFFAOYSA-N 1 0 329.459 5.465 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000102568292 219211295 /nfs/dbraw/zinc/21/12/95/219211295.db2.gz VWODJXATNKJNGE-UHFFFAOYSA-N 1 0 329.459 5.465 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000102568364 520058541 /nfs/dbraw/zinc/05/85/41/520058541.db2.gz BDZRUKDBBRYFHF-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000102568368 219211529 /nfs/dbraw/zinc/21/15/29/219211529.db2.gz RKNPNEPBBXZGDV-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCCCCCCCOc1ccc(C(=[NH2+])N(C)C)cc1 ZINC000102586349 564020402 /nfs/dbraw/zinc/02/04/02/564020402.db2.gz RIFYEPOKYJRICA-UHFFFAOYSA-N 1 0 332.532 5.873 50 30 EKEARO CCCCCCCCOCC[NH2+]CCOCCCCCCCC ZINC000103011515 219248570 /nfs/dbraw/zinc/24/85/70/219248570.db2.gz XUEFXTQYOAZXOP-UHFFFAOYSA-N 1 0 329.569 5.330 50 30 EKEARO CCCCCCCC/[NH+]=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000103913064 564023342 /nfs/dbraw/zinc/02/33/42/564023342.db2.gz BADDRSHHZNWKJJ-ULJHMMPZSA-N 1 0 345.571 6.767 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCC ZINC000104209230 563983542 /nfs/dbraw/zinc/98/35/42/563983542.db2.gz SFZHTDDDARLGFT-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCCC)c(Br)c1 ZINC000104464507 563983628 /nfs/dbraw/zinc/98/36/28/563983628.db2.gz QFJNLSFLBIHDQR-UHFFFAOYSA-N 1 0 342.321 5.298 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1 ZINC000104464813 563983616 /nfs/dbraw/zinc/98/36/16/563983616.db2.gz UZPQXGSVROZFDL-UHFFFAOYSA-N 1 0 332.315 5.842 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(Cl)c1 ZINC000104464872 563983620 /nfs/dbraw/zinc/98/36/20/563983620.db2.gz VNXUNBIVXSWVPH-UHFFFAOYSA-N 1 0 346.342 6.232 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Br)ccc1OCCC ZINC000104466189 563983626 /nfs/dbraw/zinc/98/36/26/563983626.db2.gz ZZTGYVMVMDCGIO-UHFFFAOYSA-N 1 0 342.321 5.298 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC ZINC000104466656 563983622 /nfs/dbraw/zinc/98/36/22/563983622.db2.gz RFQOMYFEWBZGJW-UHFFFAOYSA-N 1 0 332.315 5.842 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC ZINC000104466697 563983618 /nfs/dbraw/zinc/98/36/18/563983618.db2.gz FXOUDRLOOBXCOY-UHFFFAOYSA-N 1 0 346.342 6.232 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000104467240 563983612 /nfs/dbraw/zinc/98/36/12/563983612.db2.gz ADTVKVRAOZSZHC-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OC)c1 ZINC000104467288 563983624 /nfs/dbraw/zinc/98/36/24/563983624.db2.gz LQKICLCJSSGHOI-UHFFFAOYSA-N 1 0 341.923 5.588 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OCCC)c(OCC)c1 ZINC000104467531 563983625 /nfs/dbraw/zinc/98/36/25/563983625.db2.gz LQTLXIQCROMXFL-UHFFFAOYSA-N 1 0 341.923 5.588 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000105278298 563983739 /nfs/dbraw/zinc/98/37/39/563983739.db2.gz HODAYYPBJVBGLN-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO C[C@@H]1/C(=N\O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000105313051 564025095 /nfs/dbraw/zinc/02/50/95/564025095.db2.gz IXJNSRRYDLWBGA-HMVDYTRCSA-N 1 0 349.261 5.235 50 30 EKEARO C[C@@H]1/C(=N\O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000105313054 564025073 /nfs/dbraw/zinc/02/50/73/564025073.db2.gz IXJNSRRYDLWBGA-WBOWEBDKSA-N 1 0 349.261 5.235 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000105342279 564014156 /nfs/dbraw/zinc/01/41/56/564014156.db2.gz HZHJDRQHUZSPIZ-UHFFFAOYSA-N 1 0 336.523 6.265 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000105345456 563983749 /nfs/dbraw/zinc/98/37/49/563983749.db2.gz REMYVKWOTUAQDE-UHFFFAOYSA-N 1 0 335.875 5.669 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000105345564 563983728 /nfs/dbraw/zinc/98/37/28/563983728.db2.gz ZBYMHJZEPXZRSS-UHFFFAOYSA-N 1 0 349.902 6.059 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000106953473 563983959 /nfs/dbraw/zinc/98/39/59/563983959.db2.gz ADJBYSPAMRQKAS-UHFFFAOYSA-N 1 0 339.401 6.025 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000106960930 563983950 /nfs/dbraw/zinc/98/39/50/563983950.db2.gz TYJBEELXMHENEV-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2cccc(C)c2)cc1 ZINC000106961720 563983961 /nfs/dbraw/zinc/98/39/61/563983961.db2.gz RTBCQEPGUKADIJ-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000106961829 563983953 /nfs/dbraw/zinc/98/39/53/563983953.db2.gz KQPVIGPDHAPWTO-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000106962855 563983975 /nfs/dbraw/zinc/98/39/75/563983975.db2.gz ZYTQVDHJIJHHKL-UHFFFAOYSA-N 1 0 341.923 5.588 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OCCC ZINC000106963272 563983947 /nfs/dbraw/zinc/98/39/47/563983947.db2.gz CZVIGTFWFDGVCN-UHFFFAOYSA-N 1 0 327.896 5.197 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000106965332 563983957 /nfs/dbraw/zinc/98/39/57/563983957.db2.gz UATACOUQAWBEQU-UHFFFAOYSA-N 1 0 332.315 5.841 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000106965417 563983951 /nfs/dbraw/zinc/98/39/51/563983951.db2.gz OBXOJSYLCLRDRQ-UHFFFAOYSA-N 1 0 341.923 5.586 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Br)ccc1OC(C)C ZINC000106965738 563983971 /nfs/dbraw/zinc/98/39/71/563983971.db2.gz GLWVVNQHNSWNOV-UHFFFAOYSA-N 1 0 342.321 5.296 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(C)C ZINC000106966017 563984017 /nfs/dbraw/zinc/98/40/17/563984017.db2.gz OIUCHJZERGPHFN-UHFFFAOYSA-N 1 0 346.342 6.231 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OC)c1 ZINC000106966274 563983999 /nfs/dbraw/zinc/98/39/99/563983999.db2.gz VQRKPDIAHUCHCN-UHFFFAOYSA-N 1 0 327.896 5.196 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(OCC)c1 ZINC000106966576 563984016 /nfs/dbraw/zinc/98/40/16/563984016.db2.gz VSQZORQEYZAXAS-UHFFFAOYSA-N 1 0 341.923 5.586 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000106966996 563983989 /nfs/dbraw/zinc/98/39/89/563983989.db2.gz OZVPJKRKZFTZCY-UHFFFAOYSA-N 1 0 332.315 5.841 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)c(OC(C)C)c(Cl)c1 ZINC000106967734 563983985 /nfs/dbraw/zinc/98/39/85/563983985.db2.gz BSKBHYQXFIBBQX-UHFFFAOYSA-N 1 0 346.342 6.231 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OC(C)C)c(Br)c1 ZINC000106968101 563983977 /nfs/dbraw/zinc/98/39/77/563983977.db2.gz QHHPHOWGXBOZNN-UHFFFAOYSA-N 1 0 342.321 5.296 50 30 EKEARO CCCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000106968884 563983979 /nfs/dbraw/zinc/98/39/79/563983979.db2.gz FJYLDTMEBVBXFW-UHFFFAOYSA-N 1 0 341.923 5.586 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccc(OCc2ccccc2C)cc1 ZINC000106968922 563984009 /nfs/dbraw/zinc/98/40/09/563984009.db2.gz NAEFNPJXNACHDP-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1cc(Cl)cc(OC)c1OC(C)C ZINC000106969977 520057821 /nfs/dbraw/zinc/05/78/21/520057821.db2.gz LJEMURKGCPYDNG-UHFFFAOYSA-N 1 0 327.896 5.196 50 30 EKEARO CCCCCCC[NH2+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000106970174 520057880 /nfs/dbraw/zinc/05/78/80/520057880.db2.gz QSAIZUIRAZNACJ-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1cccc(Cl)c1 ZINC000106985198 520056886 /nfs/dbraw/zinc/05/68/86/520056886.db2.gz DRGCVSDXZWCMMH-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000106987738 563983991 /nfs/dbraw/zinc/98/39/91/563983991.db2.gz HCHNXDMLVTVZLC-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000106988267 520036873 /nfs/dbraw/zinc/03/68/73/520036873.db2.gz MLGJQBCBBWJQTC-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCCC[NH2+]Cc1ccccc1OCc1ccccc1C ZINC000106988423 563984015 /nfs/dbraw/zinc/98/40/15/563984015.db2.gz FQJKOLHDJHPQAN-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1ccccc1OCc1cccc(C)c1 ZINC000106989002 563984002 /nfs/dbraw/zinc/98/40/02/563984002.db2.gz HNEDCKNMNVPTIN-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000107000590 563983978 /nfs/dbraw/zinc/98/39/78/563983978.db2.gz UNSRCXUZYCFYBU-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000107000925 563983992 /nfs/dbraw/zinc/98/39/92/563983992.db2.gz OGNKCNJMWUEESX-UHFFFAOYSA-N 1 0 325.496 5.634 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2cccc(C)c2)c1 ZINC000107001804 520036807 /nfs/dbraw/zinc/03/68/07/520036807.db2.gz OLAMBSSRBAQCJN-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCCC[NH2+]Cc1cccc(OCc2ccccc2C)c1 ZINC000107002103 563984010 /nfs/dbraw/zinc/98/40/10/563984010.db2.gz IMVWPIATWZKMQV-UHFFFAOYSA-N 1 0 339.523 6.024 50 30 EKEARO CCCCCCC[NH2+]Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000107002408 563983995 /nfs/dbraw/zinc/98/39/95/563983995.db2.gz HPGXKQGOLMIELM-UHFFFAOYSA-N 1 0 345.914 5.979 50 30 EKEARO C[S+]1CCC(=C2c3ccsc3SCc3ccccc32)CC1 ZINC000224579752 564130163 /nfs/dbraw/zinc/13/01/63/564130163.db2.gz BDNADUQRBWXWTA-UHFFFAOYSA-N 1 0 331.551 5.198 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]\[C@@H]3C[C@@H]3c3ccccc3)cc2)cc1 ZINC000229681689 242189672 /nfs/dbraw/zinc/18/96/72/242189672.db2.gz MHVRYHFVOKXUDT-VDORGGRHSA-N 1 0 342.398 5.237 50 30 EKEARO C[C@@H](/N=C/c1ccc(/C=[NH+]\[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000230207330 564155130 /nfs/dbraw/zinc/15/51/30/564155130.db2.gz IEDQNNBCANUHPF-SZWOGBHKSA-N 1 0 340.470 6.047 50 30 EKEARO C[C@@H](/N=C\c1ccc(/C=[NH+]/[C@@H](C)c2ccccc2)cc1)c1ccccc1 ZINC000230207340 564155137 /nfs/dbraw/zinc/15/51/37/564155137.db2.gz IEDQNNBCANUHPF-FHFKIZNFSA-N 1 0 340.470 6.047 50 30 EKEARO O/N=C1\C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000245327773 258000135 /nfs/dbraw/zinc/00/01/35/258000135.db2.gz QWMMGJJMBIYAMK-QCKRQCLHSA-N 1 0 342.442 5.076 50 30 EKEARO CCCCCCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247884792 564131973 /nfs/dbraw/zinc/13/19/73/564131973.db2.gz CYZGMWYRYQDOQI-UHFFFAOYSA-N 1 0 348.534 6.058 50 30 EKEARO C=CC[NH2+]Cc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247987328 564132021 /nfs/dbraw/zinc/13/20/21/564132021.db2.gz JDQSJVSIBAZEHA-UHFFFAOYSA-N 1 0 345.273 5.272 50 30 EKEARO C=CC[NH2+]Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000247988407 564132008 /nfs/dbraw/zinc/13/20/08/564132008.db2.gz JLTGINYAUYUDIS-UHFFFAOYSA-N 1 0 345.273 5.272 50 30 EKEARO CCCCCCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248134253 564132015 /nfs/dbraw/zinc/13/20/15/564132015.db2.gz ZUVDDNFOXJAUKN-UHFFFAOYSA-N 1 0 348.534 6.058 50 30 EKEARO CCCCCCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248174206 564132045 /nfs/dbraw/zinc/13/20/45/564132045.db2.gz YFUJEQDYEFXPFD-UHFFFAOYSA-N 1 0 348.534 6.058 50 30 EKEARO CCCCCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248252702 520058090 /nfs/dbraw/zinc/05/80/90/520058090.db2.gz JPDFWWYODIFSIH-UHFFFAOYSA-N 1 0 334.507 5.750 50 30 EKEARO CCCCCCCC[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000248253410 564132033 /nfs/dbraw/zinc/13/20/33/564132033.db2.gz JTUQEIFCOCGZMG-UHFFFAOYSA-N 1 0 348.534 6.140 50 30 EKEARO Clc1ccc(NC2=CC(=[NH+]c3ccc(Cl)cc3)CCC2)cc1 ZINC000252427963 526956079 /nfs/dbraw/zinc/95/60/79/526956079.db2.gz LWFMJQZDSYEVOT-UHFFFAOYSA-N 1 0 331.246 6.246 50 30 EKEARO CN(C)c1cccc([NH+]=C2C=C(N3CCCCC3)CC(C)(C)C2)c1 ZINC000252613776 564121942 /nfs/dbraw/zinc/12/19/42/564121942.db2.gz JEARQQNTZJFVFW-UHFFFAOYSA-N 1 0 325.500 5.015 50 30 EKEARO O=[N+]([O-])c1ccc(-c2ccc(/C=[NH+]\[C@@H]3C[C@H]3c3ccccc3)cc2)cc1 ZINC000253487593 564132699 /nfs/dbraw/zinc/13/26/99/564132699.db2.gz MHVRYHFVOKXUDT-QXGHTGFUSA-N 1 0 342.398 5.237 50 30 EKEARO C=CCC1=CC=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C1=O ZINC000254744119 564118298 /nfs/dbraw/zinc/11/82/98/564118298.db2.gz PZRAYFJALQNJSL-UHFFFAOYSA-N 1 0 341.414 6.287 50 30 EKEARO COC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C(=O)C=C1 ZINC000254866669 563861596 /nfs/dbraw/zinc/86/15/96/563861596.db2.gz PWIQVDVXSMHYPT-UHFFFAOYSA-N 1 0 331.375 5.567 50 30 EKEARO O=C1C=CC([N+](=O)[O-])=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000257353470 258073655 /nfs/dbraw/zinc/07/36/55/258073655.db2.gz RJMFWDDINGWTSG-UHFFFAOYSA-N 1 0 346.346 5.466 50 30 EKEARO CCn1c2cc(=[NH2+])ccc-2c2ccc(N=[N+]=[N-])cc2c1-c1ccccc1 ZINC000377811081 564168600 /nfs/dbraw/zinc/16/86/00/564168600.db2.gz IMFJTOBLMOJLDM-UHFFFAOYSA-N 1 0 339.402 5.854 50 30 EKEARO COc1ccc(/C=[NH+]/CC[C@@H](c2c[nH]c3ccccc32)C(C)C)cc1 ZINC000524733310 257842923 /nfs/dbraw/zinc/84/29/23/257842923.db2.gz HBZOJJQRUDSLQG-IXOWOOARSA-N 1 0 334.463 5.425 50 30 EKEARO COc1ccc(/C=[NH+]/CC[C@H](c2c[nH]c3ccccc32)C(C)C)cc1 ZINC000524733311 563988513 /nfs/dbraw/zinc/98/85/13/563988513.db2.gz HBZOJJQRUDSLQG-WQZUMXOESA-N 1 0 334.463 5.425 50 30 EKEARO