smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000004742972 210265954 /nfs/dbraw/zinc/26/59/54/210265954.db2.gz XROUXDULVYPFKP-DVZSQSHLSA-N 1 2 329.443 4.520 40 0 EJABLO C[C@@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000004742972 210265958 /nfs/dbraw/zinc/26/59/58/210265958.db2.gz XROUXDULVYPFKP-DVZSQSHLSA-N 1 2 329.443 4.520 40 0 EJABLO CCOc1ccc(-c2nc(Nc3cccc(Cl)c3)cc(N)[nH+]2)cc1 ZINC000049468046 214010086 /nfs/dbraw/zinc/01/00/86/214010086.db2.gz HBOUXHMXSBPOKU-UHFFFAOYSA-N 1 2 340.814 4.522 40 0 EJABLO CCOc1ccc(-c2nc(N)cc(Nc3cccc(Cl)c3)[nH+]2)cc1 ZINC000049468046 214010091 /nfs/dbraw/zinc/01/00/91/214010091.db2.gz HBOUXHMXSBPOKU-UHFFFAOYSA-N 1 2 340.814 4.522 40 0 EJABLO Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@H]2n1cc[nH+]c1 ZINC000003783800 210075587 /nfs/dbraw/zinc/07/55/87/210075587.db2.gz MPTJIDOGFUQSQH-GOSISDBHSA-N 1 2 329.230 4.926 40 0 world EJABLO Cc1cc2[nH+]c(-c3ccc(N(C)C)c(Br)c3)[nH]c2c(C)c1 ZINC000216879888 241217085 /nfs/dbraw/zinc/21/70/85/241217085.db2.gz DLABZFPXLWNLDI-UHFFFAOYSA-N 1 2 344.256 4.675 40 0 EJABLO Cc1ccc([C@@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)c(C)c1 ZINC000225769695 242026701 /nfs/dbraw/zinc/02/67/01/242026701.db2.gz IMXQJPRUNZEQNJ-FQEVSTJZSA-N 1 2 347.487 4.774 40 0 EJABLO Cc1cc(N[C@H](C)c2ccc(Cl)cc2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103325 242089635 /nfs/dbraw/zinc/08/96/35/242089635.db2.gz DQTRCKPDFASMTL-CYBMUJFWSA-N 1 2 338.842 4.861 40 0 EJABLO CC(C)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000242825017 243022960 /nfs/dbraw/zinc/02/29/60/243022960.db2.gz FNBUPZSYMCXTNG-UHFFFAOYSA-N 1 2 336.414 4.715 40 0 EJABLO Cc1csc([C@H]2Cc3ccsc3[C@@H](c3ccc(F)cc3)[NH2+]2)n1 ZINC000019240272 212008869 /nfs/dbraw/zinc/00/88/69/212008869.db2.gz YPWBWUHMHPQXNS-HUUCEWRRSA-N 1 2 330.453 4.629 40 0 EJABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000242419913 205082026 /nfs/dbraw/zinc/08/20/26/205082026.db2.gz BIUOTPUTSJUEDM-UHFFFAOYSA-N 1 2 332.451 4.884 40 0 EJABLO CC(C)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000243704644 205098969 /nfs/dbraw/zinc/09/89/69/205098969.db2.gz PLYGVNZOUKTFQM-UHFFFAOYSA-N 1 2 336.414 4.715 40 0 EJABLO Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@@H]2n1cc[nH+]c1 ZINC000005117478 210392428 /nfs/dbraw/zinc/39/24/28/210392428.db2.gz MPTJIDOGFUQSQH-SFHVURJKSA-N 1 2 329.230 4.926 40 0 world EJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000328980378 257908579 /nfs/dbraw/zinc/90/85/79/257908579.db2.gz GLWXPJHKPCKJFC-UHFFFAOYSA-N 1 2 328.847 4.527 40 0 EJABLO Cc1ccc(-n2c(/C=C\c3ccc(N)cc3)[nH+]c3cc(N)ccc32)cc1 ZINC000013403884 563697755 /nfs/dbraw/zinc/69/77/55/563697755.db2.gz MRFCVQUZXHJVSS-MLPAPPSSSA-N 1 2 340.430 4.669 40 0 EJABLO Cc1nc([C@H](Cc2ccsc2)[NH2+]Cc2cccc(C)n2)sc1C ZINC000019236347 563855537 /nfs/dbraw/zinc/85/55/37/563855537.db2.gz IMFRSGBKUISELU-KRWDZBQOSA-N 1 2 343.521 4.598 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214015 563984705 /nfs/dbraw/zinc/98/47/05/563984705.db2.gz ZOFUATXXQKRFTJ-QGZVFWFLSA-N 1 2 345.487 4.898 40 0 EJABLO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072215135 563985163 /nfs/dbraw/zinc/98/51/63/563985163.db2.gz GJAYIBNNBFVWNA-CQSZACIVSA-N 1 2 331.460 4.595 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216130 563985476 /nfs/dbraw/zinc/98/54/76/563985476.db2.gz FWFJKUFVCLHZJF-QGZVFWFLSA-N 1 2 345.487 4.534 40 0 EJABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000096191757 564066549 /nfs/dbraw/zinc/06/65/49/564066549.db2.gz NZHRWYQZVFHTPQ-GVDBMIGSSA-N 1 2 337.467 4.761 40 0 EJABLO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(Nc2ccccc2)[nH+]1 ZINC000329062190 564072005 /nfs/dbraw/zinc/07/20/05/564072005.db2.gz WVMDTCNXDBOTPK-UHFFFAOYSA-N 1 2 344.462 4.826 40 0 EJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 ZINC000226254094 564117232 /nfs/dbraw/zinc/11/72/32/564117232.db2.gz SALRMMKEQWHNHT-CQSZACIVSA-N 1 2 349.434 4.646 40 0 EJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 ZINC000226254094 564117233 /nfs/dbraw/zinc/11/72/33/564117233.db2.gz SALRMMKEQWHNHT-CQSZACIVSA-N 1 2 349.434 4.646 40 0 EJABLO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2cc3ccccc3o2)CC1 ZINC000226254127 564117275 /nfs/dbraw/zinc/11/72/75/564117275.db2.gz DWBIOBKRDRSCCJ-UHFFFAOYSA-N 1 2 349.434 4.504 40 0 EJABLO Cc1csc([C@H]2Cc3ccsc3[C@@H](c3cccc(F)c3)[NH2+]2)n1 ZINC000019240274 202001612 /nfs/dbraw/zinc/00/16/12/202001612.db2.gz MOQOVRJPZDRGJZ-HUUCEWRRSA-N 1 2 330.453 4.629 40 0 EJABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C)cc2c1 ZINC000019498298 212031871 /nfs/dbraw/zinc/03/18/71/212031871.db2.gz AYTVKBARGSNCCG-CQSZACIVSA-N 1 2 345.446 4.777 40 0 EJABLO COc1ccc2[nH]c(C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C)cc2c1 ZINC000019498298 212031877 /nfs/dbraw/zinc/03/18/77/212031877.db2.gz AYTVKBARGSNCCG-CQSZACIVSA-N 1 2 345.446 4.777 40 0 EJABLO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2cccc3ccccc32)c1 ZINC000226253912 205121130 /nfs/dbraw/zinc/12/11/30/205121130.db2.gz XLDJCFRDLKUDFV-UHFFFAOYSA-N 1 2 345.446 4.665 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]c[nH+]1 ZINC000118926928 221205325 /nfs/dbraw/zinc/20/53/25/221205325.db2.gz BBUJYEQSYYZBDG-UMWWKMARSA-N 1 2 340.511 4.817 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH+]c[nH]1 ZINC000118926928 221205327 /nfs/dbraw/zinc/20/53/27/221205327.db2.gz BBUJYEQSYYZBDG-UMWWKMARSA-N 1 2 340.511 4.817 40 0 EJABLO Cc1ccc(-n2c(/C=C/c3ccc(N)cc3)[nH+]c3cc(N)ccc32)cc1 ZINC000005337647 563527187 /nfs/dbraw/zinc/52/71/87/563527187.db2.gz MRFCVQUZXHJVSS-AWNIVKPZSA-N 1 2 340.430 4.669 40 0 EJABLO Cc1cc2cc3c(nc2cc1C)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013561614 563701859 /nfs/dbraw/zinc/70/18/59/563701859.db2.gz SIUNGOPICXEUEW-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc2cc3c(nc2cc1C)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013561614 563701860 /nfs/dbraw/zinc/70/18/60/563701860.db2.gz SIUNGOPICXEUEW-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213626 563984605 /nfs/dbraw/zinc/98/46/05/563984605.db2.gz RMUQYBQGROSQRJ-INIZCTEOSA-N 1 2 333.476 4.756 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213866 563984608 /nfs/dbraw/zinc/98/46/08/563984608.db2.gz LGZAXECOVILHJD-MRXNPFEDSA-N 1 2 331.460 4.508 40 0 EJABLO CCCCNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213686 563984616 /nfs/dbraw/zinc/98/46/16/563984616.db2.gz YTVLNXKCFWJYOJ-INIZCTEOSA-N 1 2 333.476 4.756 40 0 EJABLO CCCCNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213634 563984618 /nfs/dbraw/zinc/98/46/18/563984618.db2.gz BVFMXNKYKHQQKF-IBGZPJMESA-N 1 2 337.467 4.661 40 0 EJABLO CCCCN(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072215049 563985074 /nfs/dbraw/zinc/98/50/74/563985074.db2.gz VAFONBOPKSIZCP-UHFFFAOYSA-N 1 2 331.460 4.596 40 0 EJABLO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072215248 563985154 /nfs/dbraw/zinc/98/51/54/563985154.db2.gz WZSMTWWAOWWHCO-AWEZNQCLSA-N 1 2 331.460 4.595 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216070 563985483 /nfs/dbraw/zinc/98/54/83/563985483.db2.gz QDJLUTOHNRMJPH-QGZVFWFLSA-N 1 2 345.487 4.534 40 0 EJABLO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013563846 564020342 /nfs/dbraw/zinc/02/03/42/564020342.db2.gz JLBRSCLMUBJBOK-INIZCTEOSA-N 1 2 332.447 4.580 40 0 EJABLO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013563846 564020343 /nfs/dbraw/zinc/02/03/43/564020343.db2.gz JLBRSCLMUBJBOK-INIZCTEOSA-N 1 2 332.447 4.580 40 0 EJABLO Cc1ccc(C(=O)CN(c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000008411387 564035672 /nfs/dbraw/zinc/03/56/72/564035672.db2.gz LBAFVVYHNQOSIL-UHFFFAOYSA-N 1 2 340.854 4.920 40 0 EJABLO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(Cl)cc23)cc1 ZINC000032605063 564036165 /nfs/dbraw/zinc/03/61/65/564036165.db2.gz AYHYCSVDCMUYTJ-UHFFFAOYSA-N 1 2 326.783 4.809 40 0 EJABLO Cc1cccc(Cl)c1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000328970707 564071056 /nfs/dbraw/zinc/07/10/56/564071056.db2.gz DLKDSAYJNPHURR-UHFFFAOYSA-N 1 2 330.863 4.692 40 0 EJABLO CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(Nc2ccccc2)[nH+]1 ZINC000329000048 564071441 /nfs/dbraw/zinc/07/14/41/564071441.db2.gz JYTJCFDDNSKHLQ-INIZCTEOSA-N 1 2 344.462 4.734 40 0 EJABLO Cc1cc(F)ccc1Nc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329071880 564072232 /nfs/dbraw/zinc/07/22/32/564072232.db2.gz ZTEZQJMBMCRJGY-UHFFFAOYSA-N 1 2 340.446 4.712 40 0 EJABLO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2[NH+]2CCCCC2)cc1 ZINC000226254401 564117236 /nfs/dbraw/zinc/11/72/36/564117236.db2.gz MQTZIUQHLMVVAW-UHFFFAOYSA-N 1 2 337.467 4.635 40 0 EJABLO O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000005647434 564125686 /nfs/dbraw/zinc/12/56/86/564125686.db2.gz OEFLAYGPCRTFNE-GOSISDBHSA-N 1 2 328.843 4.506 40 0 EJABLO COc1ccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)cc1OC ZINC000016227593 201973416 /nfs/dbraw/zinc/97/34/16/201973416.db2.gz CIIWNPMFLHAJII-UHFFFAOYSA-N 1 2 330.387 4.686 40 0 EJABLO Fc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1F ZINC000019292768 202002216 /nfs/dbraw/zinc/00/22/16/202002216.db2.gz ROPFNLNCASTPEQ-AWEZNQCLSA-N 1 2 336.432 4.556 40 0 EJABLO CCCn1nc(C)c(-c2c[nH+]cn2[C@@H](CC)c2ccc(F)cc2)c1C ZINC000019654543 202014688 /nfs/dbraw/zinc/01/46/88/202014688.db2.gz AIOAHZMKKHOVFI-SFHVURJKSA-N 1 2 340.446 4.912 40 0 EJABLO Cc1ccc(C(=O)Nc2cc([N@H+]3CCCC[C@@H]3C)c(C)cc2N)cc1 ZINC000216867422 241218000 /nfs/dbraw/zinc/21/80/00/241218000.db2.gz KALJKHLCZOIRBH-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccc(C(=O)Nc2cc([N@@H+]3CCCC[C@@H]3C)c(C)cc2N)cc1 ZINC000216867422 241218004 /nfs/dbraw/zinc/21/80/04/241218004.db2.gz KALJKHLCZOIRBH-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO CC[C@@H](C)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000242649751 243022664 /nfs/dbraw/zinc/02/26/64/243022664.db2.gz CRIOQVULJOVEOQ-MRXNPFEDSA-N 1 2 332.451 4.966 40 0 EJABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213282 257689330 /nfs/dbraw/zinc/68/93/30/257689330.db2.gz BUEZITDDUVQKGB-INIZCTEOSA-N 1 2 333.476 4.612 40 0 EJABLO CCCCc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000030938279 563911799 /nfs/dbraw/zinc/91/17/99/563911799.db2.gz OWRQQTDBLGYACY-UHFFFAOYSA-N 1 2 333.435 4.526 40 0 EJABLO CC(C)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1)C(C)C ZINC000072212953 563984531 /nfs/dbraw/zinc/98/45/31/563984531.db2.gz XFUAJYCGDQCXOP-KRWDZBQOSA-N 1 2 347.503 4.777 40 0 EJABLO CC(C)CNc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213290 563984551 /nfs/dbraw/zinc/98/45/51/563984551.db2.gz DVTXXJXEDSPZNN-IBGZPJMESA-N 1 2 337.467 4.517 40 0 EJABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213635 563984624 /nfs/dbraw/zinc/98/46/24/563984624.db2.gz BVFMXNKYKHQQKF-LJQANCHMSA-N 1 2 337.467 4.661 40 0 EJABLO O=C(c1ccccc1)N1CCCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213994 563984667 /nfs/dbraw/zinc/98/46/67/563984667.db2.gz XUEPRHGUEQKBJX-HXUWFJFHSA-N 1 2 349.478 4.804 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213986 563984700 /nfs/dbraw/zinc/98/47/00/563984700.db2.gz FOFCWDISKRNMFP-QGZVFWFLSA-N 1 2 345.487 4.898 40 0 EJABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1[C@H](O)c1ccccc1 ZINC000072223920 563985857 /nfs/dbraw/zinc/98/58/57/563985857.db2.gz ZPEWVWLHWSAJDA-JOCHJYFZSA-N 1 2 330.431 4.556 40 0 EJABLO COc1ccc(Nc2cc(C)[nH+]c3c(OC)cccc23)cc1Cl ZINC000000303370 563996743 /nfs/dbraw/zinc/99/67/43/563996743.db2.gz OZLKARQWTHDVJV-UHFFFAOYSA-N 1 2 328.799 4.957 40 0 EJABLO C[N@@H+]1/C(=C\C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000000343562 563996811 /nfs/dbraw/zinc/99/68/11/563996811.db2.gz BKODZKLRAMRNNE-PDGQHHTCSA-N 1 2 340.854 4.586 40 0 EJABLO C[N@H+]1/C(=C\C(=O)Nc2ccccc2Cl)c2ccccc2CC1(C)C ZINC000000343562 563996812 /nfs/dbraw/zinc/99/68/12/563996812.db2.gz BKODZKLRAMRNNE-PDGQHHTCSA-N 1 2 340.854 4.586 40 0 EJABLO Cc1[nH+]c2cc(NC(=O)Nc3ccc4ccccc4c3)ccc2n1C ZINC000409125956 564010421 /nfs/dbraw/zinc/01/04/21/564010421.db2.gz NIGUOIGRNAPZLV-UHFFFAOYSA-N 1 2 330.391 4.679 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969970 564071080 /nfs/dbraw/zinc/07/10/80/564071080.db2.gz DHOQLPJUJAACFI-QGZVFWFLSA-N 1 2 346.478 4.558 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2ccc(Cl)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328997946 564071393 /nfs/dbraw/zinc/07/13/93/564071393.db2.gz JQYFXJSOBBLBTA-LBPRGKRZSA-N 1 2 330.863 4.692 40 0 EJABLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599802 564078672 /nfs/dbraw/zinc/07/86/72/564078672.db2.gz BWYMMIASFOEPAU-ZFWWWQNUSA-N 1 2 332.444 4.610 40 0 EJABLO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599802 564078673 /nfs/dbraw/zinc/07/86/73/564078673.db2.gz BWYMMIASFOEPAU-ZFWWWQNUSA-N 1 2 332.444 4.610 40 0 EJABLO COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000131201420 564116914 /nfs/dbraw/zinc/11/69/14/564116914.db2.gz BWYMMIASFOEPAU-DZGCQCFKSA-N 1 2 332.444 4.610 40 0 EJABLO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000131201420 564116915 /nfs/dbraw/zinc/11/69/15/564116915.db2.gz BWYMMIASFOEPAU-DZGCQCFKSA-N 1 2 332.444 4.610 40 0 EJABLO Cc1cc[nH+]c(Nc2ccc(Br)cc2Br)c1 ZINC000228952751 564118184 /nfs/dbraw/zinc/11/81/84/564118184.db2.gz GXBPANNSLHJKFU-UHFFFAOYSA-N 1 2 342.034 4.659 40 0 EJABLO CCCCc1ccc(NC(=O)C[NH+]2Cc3cc(C)c(C)cc3C2)cc1 ZINC000006653019 564126146 /nfs/dbraw/zinc/12/61/46/564126146.db2.gz GQBWBCDPRBAOPL-UHFFFAOYSA-N 1 2 336.479 4.600 40 0 EJABLO CCSc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N)[nH+]1 ZINC000049467523 214009955 /nfs/dbraw/zinc/00/99/55/214009955.db2.gz CCUORCHFJRBXRS-UHFFFAOYSA-N 1 2 338.436 4.707 40 0 EJABLO CCSc1nc(N)cc(Nc2ccc(Oc3ccccc3)cc2)[nH+]1 ZINC000049467523 214009961 /nfs/dbraw/zinc/00/99/61/214009961.db2.gz CCUORCHFJRBXRS-UHFFFAOYSA-N 1 2 338.436 4.707 40 0 EJABLO Clc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2cccs2)o1 ZINC000019349055 202005829 /nfs/dbraw/zinc/00/58/29/202005829.db2.gz PJBXUIYXWOWBSN-AWEZNQCLSA-N 1 2 345.855 4.789 40 0 EJABLO Clc1ccccc1C[N@H+]1CCC[C@H]1c1nnc(-c2cccs2)o1 ZINC000019349055 202005832 /nfs/dbraw/zinc/00/58/32/202005832.db2.gz PJBXUIYXWOWBSN-AWEZNQCLSA-N 1 2 345.855 4.789 40 0 EJABLO Clc1cccc(C[N@@H+]2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000072390167 216190549 /nfs/dbraw/zinc/19/05/49/216190549.db2.gz OVVRMMQMVPWUAR-OAHLLOKOSA-N 1 2 345.855 4.789 40 0 EJABLO Clc1cccc(C[N@H+]2CCC[C@@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000072390167 216190552 /nfs/dbraw/zinc/19/05/52/216190552.db2.gz OVVRMMQMVPWUAR-OAHLLOKOSA-N 1 2 345.855 4.789 40 0 EJABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000216866769 241216933 /nfs/dbraw/zinc/21/69/33/241216933.db2.gz DGWUGTJGKLDCDJ-IYBDPMFKSA-N 1 2 337.467 4.597 40 0 EJABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000216866769 241216937 /nfs/dbraw/zinc/21/69/37/241216937.db2.gz DGWUGTJGKLDCDJ-IYBDPMFKSA-N 1 2 337.467 4.597 40 0 EJABLO Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc(-c2cccc(N)c2)[nH+]1 ZINC000226103317 242089653 /nfs/dbraw/zinc/08/96/53/242089653.db2.gz DQTRCKPDFASMTL-ZDUSSCGKSA-N 1 2 338.842 4.861 40 0 EJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 ZINC000226254788 242093292 /nfs/dbraw/zinc/09/32/92/242093292.db2.gz NHJYUBJFMLJNGR-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 ZINC000226254788 242093296 /nfs/dbraw/zinc/09/32/96/242093296.db2.gz NHJYUBJFMLJNGR-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000244075273 243036925 /nfs/dbraw/zinc/03/69/25/243036925.db2.gz UBUFYQOBTDYTNB-UHFFFAOYSA-N 1 2 348.450 4.585 40 0 EJABLO C[C@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000001690381 563404002 /nfs/dbraw/zinc/40/40/02/563404002.db2.gz XROUXDULVYPFKP-VDXGAUASSA-N 1 2 329.443 4.520 40 0 EJABLO C[C@](O)(c1ccccc1)[C@H]1[C@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000001690381 563404006 /nfs/dbraw/zinc/40/40/06/563404006.db2.gz XROUXDULVYPFKP-VDXGAUASSA-N 1 2 329.443 4.520 40 0 EJABLO CCOc1ccc(-c2nc(Nc3ccc(Cl)cc3)cc(N)[nH+]2)cc1 ZINC000049468050 563930934 /nfs/dbraw/zinc/93/09/34/563930934.db2.gz OHPVADOFLQIYRK-UHFFFAOYSA-N 1 2 340.814 4.522 40 0 EJABLO CCOc1ccc(-c2nc(N)cc(Nc3ccc(Cl)cc3)[nH+]2)cc1 ZINC000049468050 563930935 /nfs/dbraw/zinc/93/09/35/563930935.db2.gz OHPVADOFLQIYRK-UHFFFAOYSA-N 1 2 340.814 4.522 40 0 EJABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213444 563984581 /nfs/dbraw/zinc/98/45/81/563984581.db2.gz NSTFDXBOZMPHJD-GOEBONIOSA-N 1 2 333.476 4.754 40 0 EJABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213571 563984595 /nfs/dbraw/zinc/98/45/95/563984595.db2.gz PQPUMGBUZNYLNW-VQIMIIECSA-N 1 2 337.467 4.659 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213956 563984646 /nfs/dbraw/zinc/98/46/46/563984646.db2.gz YORDRHPKWMPDCG-INIZCTEOSA-N 1 2 331.460 4.508 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216699 563985576 /nfs/dbraw/zinc/98/55/76/563985576.db2.gz IMCSYRNESPWZEW-QGZVFWFLSA-N 1 2 345.487 4.534 40 0 EJABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1[C@@H](O)c1ccccc1 ZINC000072224963 563985859 /nfs/dbraw/zinc/98/58/59/563985859.db2.gz WNDCNJAFWQIUCE-QFIPXVFZSA-N 1 2 330.431 4.556 40 0 EJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000240806640 563995847 /nfs/dbraw/zinc/99/58/47/563995847.db2.gz BBXIFWVWHJQCFM-UHFFFAOYSA-N 1 2 332.451 5.406 40 0 EJABLO Fc1cc(F)cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)c1 ZINC000013569008 564020136 /nfs/dbraw/zinc/02/01/36/564020136.db2.gz HKCPPDHGPFCVCO-UHFFFAOYSA-N 1 2 342.364 4.701 40 0 EJABLO Fc1cc(F)cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c1 ZINC000013569008 564020137 /nfs/dbraw/zinc/02/01/37/564020137.db2.gz HKCPPDHGPFCVCO-UHFFFAOYSA-N 1 2 342.364 4.701 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000219848947 564035506 /nfs/dbraw/zinc/03/55/06/564035506.db2.gz VBPGKNPJMNLFRB-UHFFFAOYSA-N 1 2 328.843 4.504 40 0 EJABLO CC(C)(C)Nc1nc(Nc2ccc(F)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329015825 564059639 /nfs/dbraw/zinc/05/96/39/564059639.db2.gz NCEZXKKIZMLZPE-UHFFFAOYSA-N 1 2 334.826 4.522 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2ccc(Cl)c(C)c2)cc(C2CC2)[nH+]1 ZINC000328997944 564071377 /nfs/dbraw/zinc/07/13/77/564071377.db2.gz JQYFXJSOBBLBTA-GFCCVEGCSA-N 1 2 330.863 4.692 40 0 EJABLO CC1(C)CN(c2cc(NC3CCCCC3)[nH+]cn2)Cc2ccccc21 ZINC000329037945 564071797 /nfs/dbraw/zinc/07/17/97/564071797.db2.gz RPZABNGSODAPNX-UHFFFAOYSA-N 1 2 336.483 4.519 40 0 EJABLO CC1(C)CN(c2cc(NC3CCCCC3)nc[nH+]2)Cc2ccccc21 ZINC000329037945 564071798 /nfs/dbraw/zinc/07/17/98/564071798.db2.gz RPZABNGSODAPNX-UHFFFAOYSA-N 1 2 336.483 4.519 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2cc(C)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329044337 564071883 /nfs/dbraw/zinc/07/18/83/564071883.db2.gz SWOVMHVKYXLLGU-QGZVFWFLSA-N 1 2 346.478 4.558 40 0 EJABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C)cc2c1 ZINC000019498297 202009070 /nfs/dbraw/zinc/00/90/70/202009070.db2.gz AYTVKBARGSNCCG-AWEZNQCLSA-N 1 2 345.446 4.777 40 0 EJABLO COc1ccc2[nH]c(C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C)cc2c1 ZINC000019498297 202009075 /nfs/dbraw/zinc/00/90/75/202009075.db2.gz AYTVKBARGSNCCG-AWEZNQCLSA-N 1 2 345.446 4.777 40 0 EJABLO CCOc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243499288 243027186 /nfs/dbraw/zinc/02/71/86/243027186.db2.gz NUMRTNOEGGUORU-UHFFFAOYSA-N 1 2 346.434 4.860 40 0 EJABLO CCCn1nc(C)c(-c2c[nH+]cn2[C@H](CC)c2ccc(F)cc2)c1C ZINC000019654545 212052401 /nfs/dbraw/zinc/05/24/01/212052401.db2.gz AIOAHZMKKHOVFI-GOSISDBHSA-N 1 2 340.446 4.912 40 0 EJABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1 ZINC000243317791 205097273 /nfs/dbraw/zinc/09/72/73/205097273.db2.gz LLMAEBPEJASVEF-UHFFFAOYSA-N 1 2 330.435 4.638 40 0 EJABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213442 257689705 /nfs/dbraw/zinc/68/97/05/257689705.db2.gz NSTFDXBOZMPHJD-HOCLYGCPSA-N 1 2 333.476 4.754 40 0 EJABLO O=C(C[NH+]1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2 ZINC000001858289 563414408 /nfs/dbraw/zinc/41/44/08/563414408.db2.gz YAQJXKLJOYADSC-UHFFFAOYSA-N 1 2 325.433 4.612 40 0 EJABLO O=C(Nc1ccc2[nH]c(Cc3ccccc3)[nH+]c2c1)C1CCCCC1 ZINC000005908325 563553966 /nfs/dbraw/zinc/55/39/66/563553966.db2.gz KIAFTGJOEINYRI-UHFFFAOYSA-N 1 2 333.435 4.673 40 0 EJABLO CC(C)CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213343 563984573 /nfs/dbraw/zinc/98/45/73/563984573.db2.gz PCHRGSLMBZJDSR-MRXNPFEDSA-N 1 2 333.476 4.612 40 0 EJABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213572 563984575 /nfs/dbraw/zinc/98/45/75/563984575.db2.gz PQPUMGBUZNYLNW-QFBILLFUSA-N 1 2 337.467 4.659 40 0 EJABLO CC(C)(C)OC(=O)N(c1ccc(C2=[NH+]CCCC2)cn1)C1CCCC1 ZINC000072215573 563985298 /nfs/dbraw/zinc/98/52/98/563985298.db2.gz SKJLRCKDIBJAAU-UHFFFAOYSA-N 1 2 343.471 4.739 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N1CCCCC1 ZINC000072216131 563985532 /nfs/dbraw/zinc/98/55/32/563985532.db2.gz FWFJKUFVCLHZJF-KRWDZBQOSA-N 1 2 345.487 4.534 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)[nH+]c1 ZINC000072216071 563985547 /nfs/dbraw/zinc/98/55/47/563985547.db2.gz QDJLUTOHNRMJPH-KRWDZBQOSA-N 1 2 345.487 4.534 40 0 EJABLO Clc1ccc2[nH+]c(-c3cccs3)c(NCc3ccco3)n2c1 ZINC000000413730 563997224 /nfs/dbraw/zinc/99/72/24/563997224.db2.gz OEGJPENCWZWWHS-UHFFFAOYSA-N 1 2 329.812 4.921 40 0 EJABLO O=C(Nc1ccc(Cc2[nH]c3ccccc3[nH+]2)cc1)C1CCCCC1 ZINC000000804278 563999223 /nfs/dbraw/zinc/99/92/23/563999223.db2.gz SLZQXOUTZFEBOE-UHFFFAOYSA-N 1 2 333.435 4.673 40 0 EJABLO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563867 564020359 /nfs/dbraw/zinc/02/03/59/564020359.db2.gz PVKKPUHYIMCOEU-HXUWFJFHSA-N 1 2 332.447 4.716 40 0 EJABLO CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563867 564020360 /nfs/dbraw/zinc/02/03/60/564020360.db2.gz PVKKPUHYIMCOEU-HXUWFJFHSA-N 1 2 332.447 4.716 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(C)C)CC2)cc1 ZINC000219855886 564035518 /nfs/dbraw/zinc/03/55/18/564035518.db2.gz MXVMFUGYCWYPQT-UHFFFAOYSA-N 1 2 336.479 4.974 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2cc(C)cc(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969969 564071086 /nfs/dbraw/zinc/07/10/86/564071086.db2.gz DHOQLPJUJAACFI-KRWDZBQOSA-N 1 2 346.478 4.558 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328985352 564071272 /nfs/dbraw/zinc/07/12/72/564071272.db2.gz HSYLHCHGDUXNJD-MRXNPFEDSA-N 1 2 332.451 4.828 40 0 EJABLO Cc1nc(Nc2ccccc2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000329026646 564071653 /nfs/dbraw/zinc/07/16/53/564071653.db2.gz POHKFWXYBJIMEX-UHFFFAOYSA-N 1 2 344.462 4.826 40 0 EJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1F ZINC000329047928 564071946 /nfs/dbraw/zinc/07/19/46/564071946.db2.gz UIMAXGMXMAJHKI-UHFFFAOYSA-N 1 2 340.446 4.712 40 0 EJABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1cc(Cl)cc(Cl)c1)C2 ZINC000008367533 564127263 /nfs/dbraw/zinc/12/72/63/564127263.db2.gz JRISJKLGNNIUSB-UHFFFAOYSA-N 1 2 349.261 4.565 40 0 EJABLO Nc1cc(Nc2cc(Cl)cc(Cl)c2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467952 214010405 /nfs/dbraw/zinc/01/04/05/214010405.db2.gz KYNFZJJWJNPNOS-UHFFFAOYSA-N 1 2 349.196 4.915 40 0 EJABLO Nc1cc(Nc2cc(Cl)cc(Cl)c2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467952 214010409 /nfs/dbraw/zinc/01/04/09/214010409.db2.gz KYNFZJJWJNPNOS-UHFFFAOYSA-N 1 2 349.196 4.915 40 0 EJABLO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000034925927 212999843 /nfs/dbraw/zinc/99/98/43/212999843.db2.gz NJPMBUXJKZHWNH-UHFFFAOYSA-N 1 2 326.783 4.809 40 0 EJABLO Fc1ccc(C[N@H+]2CC=C(c3nc4ccccc4o3)CC2)c(Cl)c1 ZINC000216783969 241210438 /nfs/dbraw/zinc/21/04/38/241210438.db2.gz KJZFJLVDOSOHEK-UHFFFAOYSA-N 1 2 342.801 4.910 40 0 EJABLO Fc1ccc(C[N@@H+]2CC=C(c3nc4ccccc4o3)CC2)c(Cl)c1 ZINC000216783969 241210442 /nfs/dbraw/zinc/21/04/42/241210442.db2.gz KJZFJLVDOSOHEK-UHFFFAOYSA-N 1 2 342.801 4.910 40 0 EJABLO Cc1cccc(C(=O)Nc2cc([N@H+]3CCCC[C@@H]3C)c(C)cc2N)c1 ZINC000216867177 241217262 /nfs/dbraw/zinc/21/72/62/241217262.db2.gz SKUSFOBCLIVPFH-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1cccc(C(=O)Nc2cc([N@@H+]3CCCC[C@@H]3C)c(C)cc2N)c1 ZINC000216867177 241217268 /nfs/dbraw/zinc/21/72/68/241217268.db2.gz SKUSFOBCLIVPFH-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccc(C(=O)Nc2cc([N@H+]3CCCC[C@H]3C)c(C)cc2N)cc1 ZINC000216867402 241217483 /nfs/dbraw/zinc/21/74/83/241217483.db2.gz KALJKHLCZOIRBH-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccc(C(=O)Nc2cc([N@@H+]3CCCC[C@H]3C)c(C)cc2N)cc1 ZINC000216867402 241217486 /nfs/dbraw/zinc/21/74/86/241217486.db2.gz KALJKHLCZOIRBH-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 ZINC000226254781 242092883 /nfs/dbraw/zinc/09/28/83/242092883.db2.gz NHJYUBJFMLJNGR-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc(Cl)c1 ZINC000226254781 242092888 /nfs/dbraw/zinc/09/28/88/242092888.db2.gz NHJYUBJFMLJNGR-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO CC(C)Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000244367117 243038845 /nfs/dbraw/zinc/03/88/45/243038845.db2.gz XWSRNZAGGPQVMN-UHFFFAOYSA-N 1 2 332.451 4.619 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCCCCC1 ZINC000072216700 257687999 /nfs/dbraw/zinc/68/79/99/257687999.db2.gz IMCSYRNESPWZEW-KRWDZBQOSA-N 1 2 345.487 4.534 40 0 EJABLO CCCc1[nH+]c2ccccc2c(NC(=O)Cc2ccccc2)c1CC ZINC000000333849 563285338 /nfs/dbraw/zinc/28/53/38/563285338.db2.gz UFJQRQFEIRGLCG-UHFFFAOYSA-N 1 2 332.447 4.931 40 0 EJABLO C[N@@H+]1CCC(c2ccccc2)(c2ccccc2)O[C@@H]1c1ccccc1 ZINC000001728960 563407691 /nfs/dbraw/zinc/40/76/91/563407691.db2.gz YZIXLIRXTFSWGI-JOCHJYFZSA-N 1 2 329.443 4.981 40 0 EJABLO C[N@H+]1CCC(c2ccccc2)(c2ccccc2)O[C@@H]1c1ccccc1 ZINC000001728960 563407693 /nfs/dbraw/zinc/40/76/93/563407693.db2.gz YZIXLIRXTFSWGI-JOCHJYFZSA-N 1 2 329.443 4.981 40 0 EJABLO O=C(Nc1ccc2[nH]c(C3CCCCC3)[nH+]c2c1)c1cccs1 ZINC000006554048 563571921 /nfs/dbraw/zinc/57/19/21/563571921.db2.gz CTNZFIPDIHUSJX-UHFFFAOYSA-N 1 2 325.437 4.924 40 0 EJABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213291 563984583 /nfs/dbraw/zinc/98/45/83/563984583.db2.gz DVTXXJXEDSPZNN-LJQANCHMSA-N 1 2 337.467 4.517 40 0 EJABLO CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213350 563984588 /nfs/dbraw/zinc/98/45/88/563984588.db2.gz RYSQMXBBAODDTL-IBGZPJMESA-N 1 2 337.467 4.517 40 0 EJABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213553 563984591 /nfs/dbraw/zinc/98/45/91/563984591.db2.gz GLABRFUAESHSMK-ZBFHGGJFSA-N 1 2 333.476 4.754 40 0 EJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213459 563984593 /nfs/dbraw/zinc/98/45/93/563984593.db2.gz NQWMDAWPOCWPBD-VQIMIIECSA-N 1 2 337.467 4.659 40 0 EJABLO Cc1[nH+]c(N2CCCc3ccccc32)ccc1[C@H](O)c1ccccc1 ZINC000072224962 563985848 /nfs/dbraw/zinc/98/58/48/563985848.db2.gz WNDCNJAFWQIUCE-JOCHJYFZSA-N 1 2 330.431 4.556 40 0 EJABLO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013562930 564020264 /nfs/dbraw/zinc/02/02/64/564020264.db2.gz UKEPZOZSQMORDS-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013562930 564020265 /nfs/dbraw/zinc/02/02/65/564020265.db2.gz UKEPZOZSQMORDS-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)CCN4C(=O)CC(C)(C)C)cn2c1 ZINC000057773959 564035340 /nfs/dbraw/zinc/03/53/40/564035340.db2.gz ZRKQNDFGZAGIMC-UHFFFAOYSA-N 1 2 347.462 4.635 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1 ZINC000219848799 564035514 /nfs/dbraw/zinc/03/55/14/564035514.db2.gz AIHBZXLKRYPORW-UHFFFAOYSA-N 1 2 336.479 4.974 40 0 EJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c(Cl)c1 ZINC000328968432 564071069 /nfs/dbraw/zinc/07/10/69/564071069.db2.gz CZDMMJNYGBPULU-UHFFFAOYSA-N 1 2 330.863 4.692 40 0 EJABLO Clc1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329021792 564071600 /nfs/dbraw/zinc/07/16/00/564071600.db2.gz OJYAXUFAZARZIX-UHFFFAOYSA-N 1 2 342.874 4.918 40 0 EJABLO CC(C)(C)Nc1nc(Nc2c(F)cccc2Cl)cc(C2CC2)[nH+]1 ZINC000329023448 564071674 /nfs/dbraw/zinc/07/16/74/564071674.db2.gz OTQKJRMKANRLDE-UHFFFAOYSA-N 1 2 334.826 4.522 40 0 EJABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)cc1 ZINC000329049492 564071916 /nfs/dbraw/zinc/07/19/16/564071916.db2.gz UOSVRHALOSUUQU-UHFFFAOYSA-N 1 2 344.462 4.972 40 0 EJABLO Nc1cc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467956 214010683 /nfs/dbraw/zinc/01/06/83/214010683.db2.gz GWDNKCXSYKDVBX-UHFFFAOYSA-N 1 2 348.303 4.627 40 0 EJABLO Nc1cc(Nc2cccc(C(F)(F)F)c2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467956 214010687 /nfs/dbraw/zinc/01/06/87/214010687.db2.gz GWDNKCXSYKDVBX-UHFFFAOYSA-N 1 2 348.303 4.627 40 0 EJABLO CCOP(=O)(OCC)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000028629408 212627980 /nfs/dbraw/zinc/62/79/80/212627980.db2.gz BQSCXYUJYYPMDN-SFHVURJKSA-N 1 2 333.368 4.741 40 0 EJABLO Cc1ccccc1C(=O)Nc1cc([N@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216866204 241218076 /nfs/dbraw/zinc/21/80/76/241218076.db2.gz FGUKAFXYVZTXRK-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccccc1C(=O)Nc1cc([N@@H+]2CCCC[C@@H]2C)c(C)cc1N ZINC000216866204 241218080 /nfs/dbraw/zinc/21/80/80/241218080.db2.gz FGUKAFXYVZTXRK-INIZCTEOSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccccc1C(=O)Nc1cc([N@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216866177 241218271 /nfs/dbraw/zinc/21/82/71/241218271.db2.gz FGUKAFXYVZTXRK-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1ccccc1C(=O)Nc1cc([N@@H+]2CCCC[C@H]2C)c(C)cc1N ZINC000216866177 241218274 /nfs/dbraw/zinc/21/82/74/241218274.db2.gz FGUKAFXYVZTXRK-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO CC(C)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000243319447 243023649 /nfs/dbraw/zinc/02/36/49/243023649.db2.gz LMKMWJPBXXDCOU-UHFFFAOYSA-N 1 2 340.377 4.986 40 0 EJABLO Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)cc1 ZINC000242941951 243023764 /nfs/dbraw/zinc/02/37/64/243023764.db2.gz HBZRFONZEWSOSR-UHFFFAOYSA-N 1 2 332.451 4.884 40 0 EJABLO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2ccccc2F)n1 ZINC000019240250 212008142 /nfs/dbraw/zinc/00/81/42/212008142.db2.gz ITMODUBEGLKBDU-INIZCTEOSA-N 1 2 332.469 4.726 40 0 EJABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCC1)C1CCCCC1 ZINC000072215723 257688672 /nfs/dbraw/zinc/68/86/72/257688672.db2.gz RPEIEXZEFPSEHM-UHFFFAOYSA-N 1 2 343.471 4.739 40 0 EJABLO Cc1ccc2cc3c(nc2c1C)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013561611 563701785 /nfs/dbraw/zinc/70/17/85/563701785.db2.gz HBWWAZOBNAUOFS-MRXNPFEDSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc2cc3c(nc2c1C)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013561611 563701789 /nfs/dbraw/zinc/70/17/89/563701789.db2.gz HBWWAZOBNAUOFS-MRXNPFEDSA-N 1 2 332.447 4.635 40 0 EJABLO CCCc1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000013563747 563701869 /nfs/dbraw/zinc/70/18/69/563701869.db2.gz DELVWYGTVXSGBI-UHFFFAOYSA-N 1 2 332.447 4.582 40 0 EJABLO CCCc1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000013563747 563701874 /nfs/dbraw/zinc/70/18/74/563701874.db2.gz DELVWYGTVXSGBI-UHFFFAOYSA-N 1 2 332.447 4.582 40 0 EJABLO c1ccc2cc(OC[NH2+]COc3ccc4ccccc4c3)ccc2c1 ZINC000031628800 563912866 /nfs/dbraw/zinc/91/28/66/563912866.db2.gz RJWLOMJQDXLVNH-UHFFFAOYSA-N 1 2 329.399 4.955 40 0 EJABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213554 563984560 /nfs/dbraw/zinc/98/45/60/563984560.db2.gz GLABRFUAESHSMK-HOCLYGCPSA-N 1 2 333.476 4.754 40 0 EJABLO CCCCNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213687 563984651 /nfs/dbraw/zinc/98/46/51/563984651.db2.gz YTVLNXKCFWJYOJ-MRXNPFEDSA-N 1 2 333.476 4.756 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213987 563984702 /nfs/dbraw/zinc/98/47/02/563984702.db2.gz FOFCWDISKRNMFP-KRWDZBQOSA-N 1 2 345.487 4.898 40 0 EJABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1Cl ZINC000328978791 564071161 /nfs/dbraw/zinc/07/11/61/564071161.db2.gz GBFPXSPVMNZCGO-UHFFFAOYSA-N 1 2 330.863 4.692 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2c(C)cccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329011388 564071515 /nfs/dbraw/zinc/07/15/15/564071515.db2.gz MDPVURUZNCHVHX-QGZVFWFLSA-N 1 2 346.478 4.558 40 0 EJABLO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000329022574 564071602 /nfs/dbraw/zinc/07/16/02/564071602.db2.gz ONFJHGSUWZWZLE-UHFFFAOYSA-N 1 2 336.414 4.577 40 0 EJABLO COCc1ccc([C@H]2CCC[N@@H+]2[C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000131201649 564116902 /nfs/dbraw/zinc/11/69/02/564116902.db2.gz BWYMMIASFOEPAU-UKRRQHHQSA-N 1 2 332.444 4.610 40 0 EJABLO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000131201649 564116903 /nfs/dbraw/zinc/11/69/03/564116903.db2.gz BWYMMIASFOEPAU-UKRRQHHQSA-N 1 2 332.444 4.610 40 0 EJABLO O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000005647440 564125694 /nfs/dbraw/zinc/12/56/94/564125694.db2.gz OEFLAYGPCRTFNE-SFHVURJKSA-N 1 2 328.843 4.506 40 0 EJABLO Cc1cccc(CCC2(NC(=S)Nc3cc[nH+]cc3)CCCC2)c1 ZINC000225874658 242067775 /nfs/dbraw/zinc/06/77/75/242067775.db2.gz HEWTUUIENVWSLS-UHFFFAOYSA-N 1 2 339.508 4.622 40 0 EJABLO Cc1c2cc(C)ccc2oc1C[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000019220467 212005429 /nfs/dbraw/zinc/00/54/29/212005429.db2.gz AVMZCIMNMIBRBD-UHFFFAOYSA-N 1 2 347.418 4.732 40 0 EJABLO Cc1c2cc(C)ccc2oc1C[N@@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000019220467 212005433 /nfs/dbraw/zinc/00/54/33/212005433.db2.gz AVMZCIMNMIBRBD-UHFFFAOYSA-N 1 2 347.418 4.732 40 0 EJABLO C[N@@H+]1CCC(c2ccccc2)(c2ccccc2)O[C@H]1c1ccccc1 ZINC000005103503 210390361 /nfs/dbraw/zinc/39/03/61/210390361.db2.gz YZIXLIRXTFSWGI-QFIPXVFZSA-N 1 2 329.443 4.981 40 0 EJABLO C[N@H+]1CCC(c2ccccc2)(c2ccccc2)O[C@H]1c1ccccc1 ZINC000005103503 210390365 /nfs/dbraw/zinc/39/03/65/210390365.db2.gz YZIXLIRXTFSWGI-QFIPXVFZSA-N 1 2 329.443 4.981 40 0 EJABLO Cc1cc[nH+]c(Nc2cc(Br)ccc2Br)c1 ZINC000228955458 563971438 /nfs/dbraw/zinc/97/14/38/563971438.db2.gz DTZMIFLHRRTWLR-UHFFFAOYSA-N 1 2 342.034 4.659 40 0 EJABLO COc1ccc(-c2[nH]c3c(cc(C)cc3C)[nH+]2)cc1Br ZINC000070462786 564063668 /nfs/dbraw/zinc/06/36/68/564063668.db2.gz WCRJKRPFXZLDCI-UHFFFAOYSA-N 1 2 331.213 4.618 40 0 EJABLO COc1cc(CNc2ccc([NH+]3CCCC3)cc2)cc(Cl)c1OC ZINC000000386389 563302852 /nfs/dbraw/zinc/30/28/52/563302852.db2.gz PVTJLEVGBWKJFS-UHFFFAOYSA-N 1 2 346.858 4.570 40 0 EJABLO COC(=O)c1cccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)c1 ZINC000034925925 563484469 /nfs/dbraw/zinc/48/44/69/563484469.db2.gz WLHKCCRHCNEPKS-UHFFFAOYSA-N 1 2 346.308 4.784 40 0 EJABLO COC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000034925919 563484568 /nfs/dbraw/zinc/48/45/68/563484568.db2.gz LUEXIXDEQNPWHN-UHFFFAOYSA-N 1 2 346.308 4.784 40 0 EJABLO Cc1cc(C)c2cc3c(nc2c1)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013562928 563701812 /nfs/dbraw/zinc/70/18/12/563701812.db2.gz SRVUXEXRXVWPLI-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc(C)c2cc3c(nc2c1)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013562928 563701817 /nfs/dbraw/zinc/70/18/17/563701817.db2.gz SRVUXEXRXVWPLI-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1nc([C@@H](Cc2ccsc2)[NH2+]Cc2cccc(C)n2)sc1C ZINC000019236348 563855554 /nfs/dbraw/zinc/85/55/54/563855554.db2.gz IMFRSGBKUISELU-QGZVFWFLSA-N 1 2 343.521 4.598 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213955 563984639 /nfs/dbraw/zinc/98/46/39/563984639.db2.gz YORDRHPKWMPDCG-MRXNPFEDSA-N 1 2 331.460 4.508 40 0 EJABLO c1ccc(-c2cc(NCc3cccnc3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000240652018 563995830 /nfs/dbraw/zinc/99/58/30/563995830.db2.gz AGDUZQRMWXWNTJ-UHFFFAOYSA-N 1 2 345.450 4.505 40 0 EJABLO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NC1CCCC1 ZINC000000904177 564001209 /nfs/dbraw/zinc/00/12/09/564001209.db2.gz SZVUGCZBJZNYHC-UHFFFAOYSA-N 1 2 327.815 4.715 40 0 EJABLO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563868 564020354 /nfs/dbraw/zinc/02/03/54/564020354.db2.gz PVKKPUHYIMCOEU-FQEVSTJZSA-N 1 2 332.447 4.716 40 0 EJABLO CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3cccc(C)c3nc2O1 ZINC000013563868 564020355 /nfs/dbraw/zinc/02/03/55/564020355.db2.gz PVKKPUHYIMCOEU-FQEVSTJZSA-N 1 2 332.447 4.716 40 0 EJABLO COc1ccc(-c2[nH]c3cc(C)c(C)cc3[nH+]2)cc1Br ZINC000070461594 564063599 /nfs/dbraw/zinc/06/35/99/564063599.db2.gz ZPOMDOSSPMFWGE-UHFFFAOYSA-N 1 2 331.213 4.618 40 0 EJABLO CCNc1nc(Nc2ccc(Cl)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991960 564071372 /nfs/dbraw/zinc/07/13/72/564071372.db2.gz ITTFFUPEJHGWKH-UHFFFAOYSA-N 1 2 338.842 4.703 40 0 EJABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]cn1 ZINC000329031235 564071712 /nfs/dbraw/zinc/07/17/12/564071712.db2.gz QHXSDAWDEMDTDP-UHFFFAOYSA-N 1 2 336.483 4.563 40 0 EJABLO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCCC2)nc[nH+]1 ZINC000329031235 564071713 /nfs/dbraw/zinc/07/17/13/564071713.db2.gz QHXSDAWDEMDTDP-UHFFFAOYSA-N 1 2 336.483 4.563 40 0 EJABLO Cc1nc(Nc2ccccc2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329036596 564071728 /nfs/dbraw/zinc/07/17/28/564071728.db2.gz RKHHBNVVDHJSCP-UHFFFAOYSA-N 1 2 344.462 4.870 40 0 EJABLO COCc1ccc([C@@H]2CCC[N@@H+]2[C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599801 564078661 /nfs/dbraw/zinc/07/86/61/564078661.db2.gz BWYMMIASFOEPAU-HIFRSBDPSA-N 1 2 332.444 4.610 40 0 EJABLO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)c2ncc(C(C)(C)C)o2)o1 ZINC000248599801 564078662 /nfs/dbraw/zinc/07/86/62/564078662.db2.gz BWYMMIASFOEPAU-HIFRSBDPSA-N 1 2 332.444 4.610 40 0 EJABLO S=C(NNc1ccccc1)Nc1ccc2cc3ccccc3[nH+]c2c1 ZINC000007095735 564126589 /nfs/dbraw/zinc/12/65/89/564126589.db2.gz LURNBCBYZCLRQM-UHFFFAOYSA-N 1 2 344.443 4.702 40 0 EJABLO CCOc1ccc(-c2nc(Nc3ccccc3Cl)cc(N)[nH+]2)cc1 ZINC000049468113 214010220 /nfs/dbraw/zinc/01/02/20/214010220.db2.gz DWHMNARJTRGQBM-UHFFFAOYSA-N 1 2 340.814 4.522 40 0 EJABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1 ZINC000244137444 243035746 /nfs/dbraw/zinc/03/57/46/243035746.db2.gz UNGFLDRAFLOVGF-UHFFFAOYSA-N 1 2 332.451 4.884 40 0 EJABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)c1 ZINC000244497194 243039110 /nfs/dbraw/zinc/03/91/10/243039110.db2.gz ZLBNJDFHKIUCQC-UHFFFAOYSA-N 1 2 330.435 4.638 40 0 EJABLO Cc1ccc(CSc2nc(NCc3ccccc3)cc(C)[nH+]2)cc1 ZINC000004847582 210298668 /nfs/dbraw/zinc/29/86/68/210298668.db2.gz CBLMTQMOOJCSCS-UHFFFAOYSA-N 1 2 335.476 4.998 40 0 EJABLO CC[C@@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213555 257689850 /nfs/dbraw/zinc/68/98/50/257689850.db2.gz GLABRFUAESHSMK-GDBMZVCRSA-N 1 2 333.476 4.754 40 0 EJABLO c1ccc(C[NH2+]CN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000005518202 563536523 /nfs/dbraw/zinc/53/65/23/563536523.db2.gz QLNYXSZSBGQDLK-QHCPKHFHSA-N 1 2 341.458 4.585 40 0 EJABLO Cc1cc2[nH+]c(Cc3ccc(Br)cc3)[nH]c2cc1Cl ZINC000073638839 563931172 /nfs/dbraw/zinc/93/11/72/563931172.db2.gz PAORVLUKXMXDRW-UHFFFAOYSA-N 1 2 335.632 4.878 40 0 EJABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214025 563984710 /nfs/dbraw/zinc/98/47/10/563984710.db2.gz MERMSEIBXYZREA-HXUWFJFHSA-N 1 2 349.478 4.804 40 0 EJABLO CC(C)c1ccc2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)CCO3 ZINC000013563742 564020325 /nfs/dbraw/zinc/02/03/25/564020325.db2.gz NNNUSSJGKGEQBD-UHFFFAOYSA-N 1 2 332.447 4.753 40 0 EJABLO CC(C)c1ccc2nc3c(cc2c1)C[N@H+](Cc1ccccc1)CCO3 ZINC000013563742 564020326 /nfs/dbraw/zinc/02/03/26/564020326.db2.gz NNNUSSJGKGEQBD-UHFFFAOYSA-N 1 2 332.447 4.753 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cccc(Cl)c3C)CC2)cc1 ZINC000219852621 564035500 /nfs/dbraw/zinc/03/55/00/564035500.db2.gz TWYUMGFEZZABIZ-UHFFFAOYSA-N 1 2 342.870 4.812 40 0 EJABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCC1)c1ccc(F)cc1 ZINC000008418610 564035674 /nfs/dbraw/zinc/03/56/74/564035674.db2.gz HRVFOYKUOLKQAE-UHFFFAOYSA-N 1 2 344.817 4.751 40 0 EJABLO C[C@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000033759810 564037327 /nfs/dbraw/zinc/03/73/27/564037327.db2.gz GVIAXRUEUWNZTF-PBQZTSCYSA-N 1 2 334.246 4.974 40 0 EJABLO S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1cc[nH+]cc1 ZINC000223987534 564041360 /nfs/dbraw/zinc/04/13/60/564041360.db2.gz JPQBJDWTCIYOEG-UHFFFAOYSA-N 1 2 345.899 4.533 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2cccc(C)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328963489 564070996 /nfs/dbraw/zinc/07/09/96/564070996.db2.gz BOZOHWSFABWHMU-INIZCTEOSA-N 1 2 346.478 4.558 40 0 EJABLO CC(C)(C)Nc1nc(Nc2ccc(F)cc2Cl)cc(C2CC2)[nH+]1 ZINC000328983701 564071245 /nfs/dbraw/zinc/07/12/45/564071245.db2.gz HIMWMDXDUBNBRB-UHFFFAOYSA-N 1 2 334.826 4.522 40 0 EJABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCC3)n2)ccc1Cl ZINC000328991957 564071368 /nfs/dbraw/zinc/07/13/68/564071368.db2.gz ITQLTJZORGPOPC-UHFFFAOYSA-N 1 2 342.874 4.836 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2c(C)cccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329010941 564071534 /nfs/dbraw/zinc/07/15/34/564071534.db2.gz MDPVURUZNCHVHX-KRWDZBQOSA-N 1 2 346.478 4.558 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2cc(C)ccc2C)cc(-c2ccccc2)[nH+]1 ZINC000329044335 564071866 /nfs/dbraw/zinc/07/18/66/564071866.db2.gz SWOVMHVKYXLLGU-KRWDZBQOSA-N 1 2 346.478 4.558 40 0 EJABLO Cc1ccc(Cl)cc1Nc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1 ZINC000329046618 564071898 /nfs/dbraw/zinc/07/18/98/564071898.db2.gz UCJOJOTWDFZTLL-UHFFFAOYSA-N 1 2 330.863 4.692 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]c[nH+]1 ZINC000004715096 210258449 /nfs/dbraw/zinc/25/84/49/210258449.db2.gz BBUJYEQSYYZBDG-SPHVDITISA-N 1 2 340.511 4.817 40 0 in-vitro EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH+]c[nH]1 ZINC000004715096 210258453 /nfs/dbraw/zinc/25/84/53/210258453.db2.gz BBUJYEQSYYZBDG-SPHVDITISA-N 1 2 340.511 4.817 40 0 in-vitro EJABLO Clc1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000019349053 202005863 /nfs/dbraw/zinc/00/58/63/202005863.db2.gz PJBXUIYXWOWBSN-CQSZACIVSA-N 1 2 345.855 4.789 40 0 EJABLO Clc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc(-c2cccs2)o1 ZINC000019349053 202005866 /nfs/dbraw/zinc/00/58/66/202005866.db2.gz PJBXUIYXWOWBSN-CQSZACIVSA-N 1 2 345.855 4.789 40 0 EJABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000216866743 241217060 /nfs/dbraw/zinc/21/70/60/241217060.db2.gz DGWUGTJGKLDCDJ-HZPDHXFCSA-N 1 2 337.467 4.597 40 0 EJABLO Cc1cc(N2CCCc3ccccc32)[nH+]cc1[C@@H](O)c1ccccc1 ZINC000072223921 257686716 /nfs/dbraw/zinc/68/67/16/257686716.db2.gz ZPEWVWLHWSAJDA-QFIPXVFZSA-N 1 2 330.431 4.556 40 0 EJABLO CC[C@H]1C[N@H+](Cc2ccccc2)Cc2cc3ccc(C)cc3nc2O1 ZINC000013563720 563701829 /nfs/dbraw/zinc/70/18/29/563701829.db2.gz UDTGJEXBSIQYBZ-FQEVSTJZSA-N 1 2 332.447 4.716 40 0 EJABLO CC[C@H]1C[N@@H+](Cc2ccccc2)Cc2cc3ccc(C)cc3nc2O1 ZINC000013563720 563701832 /nfs/dbraw/zinc/70/18/32/563701832.db2.gz UDTGJEXBSIQYBZ-FQEVSTJZSA-N 1 2 332.447 4.716 40 0 EJABLO CC[C@@H]1C[N@H+](Cc2ccccc2)Cc2cc3ccc(C)cc3nc2O1 ZINC000013563718 563701839 /nfs/dbraw/zinc/70/18/39/563701839.db2.gz UDTGJEXBSIQYBZ-HXUWFJFHSA-N 1 2 332.447 4.716 40 0 EJABLO CC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2cc3ccc(C)cc3nc2O1 ZINC000013563718 563701843 /nfs/dbraw/zinc/70/18/43/563701843.db2.gz UDTGJEXBSIQYBZ-HXUWFJFHSA-N 1 2 332.447 4.716 40 0 EJABLO Cc1[nH+]c2c3cc(-c4ccc(C(F)(F)F)cc4)cn3ccc2n1C ZINC000070503630 563963942 /nfs/dbraw/zinc/96/39/42/563963942.db2.gz YQYZOCLFOCDEEM-UHFFFAOYSA-N 1 2 329.325 4.820 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213926 563984649 /nfs/dbraw/zinc/98/46/49/563984649.db2.gz SUONYLRBTHOLQE-MRXNPFEDSA-N 1 2 331.460 4.508 40 0 EJABLO O=C(c1ccccc1)N1CCCC[C@H]1c1ccc(NC2CCCC2)[nH+]c1 ZINC000072213995 563984675 /nfs/dbraw/zinc/98/46/75/563984675.db2.gz XUEPRHGUEQKBJX-FQEVSTJZSA-N 1 2 349.478 4.804 40 0 EJABLO Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NC(C)(C)C)n2)c1 ZINC000240704867 563995841 /nfs/dbraw/zinc/99/58/41/563995841.db2.gz ALACQRYWDVTRPZ-UHFFFAOYSA-N 1 2 346.478 5.275 40 0 EJABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563750 564020277 /nfs/dbraw/zinc/02/02/77/564020277.db2.gz YYXJSIWKYNEJHB-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013563750 564020278 /nfs/dbraw/zinc/02/02/78/564020278.db2.gz YYXJSIWKYNEJHB-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3Cl)CC2)cc1 ZINC000219848876 564035480 /nfs/dbraw/zinc/03/54/80/564035480.db2.gz QRTGHESEAFIMOU-UHFFFAOYSA-N 1 2 328.843 4.504 40 0 EJABLO CSc1ccccc1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219856929 564035549 /nfs/dbraw/zinc/03/55/49/564035549.db2.gz PTMATOVAQAKKCR-UHFFFAOYSA-N 1 2 340.492 4.572 40 0 EJABLO O=C(CN(c1ccc(Cl)cc1)C1=[NH+]CCCC1)c1ccccc1 ZINC000008435928 564035730 /nfs/dbraw/zinc/03/57/30/564035730.db2.gz WDPKDZRYVLKFBD-UHFFFAOYSA-N 1 2 326.827 4.612 40 0 EJABLO CC[N@H+](CCCNC(=O)c1ccc(C)cc1Cl)c1ccc(C)cc1 ZINC000225005795 564044340 /nfs/dbraw/zinc/04/43/40/564044340.db2.gz HYWIIKFGGFCGKR-UHFFFAOYSA-N 1 2 344.886 4.603 40 0 EJABLO CC[N@@H+](CCCNC(=O)c1ccc(C)cc1Cl)c1ccc(C)cc1 ZINC000225005795 564044341 /nfs/dbraw/zinc/04/43/41/564044341.db2.gz HYWIIKFGGFCGKR-UHFFFAOYSA-N 1 2 344.886 4.603 40 0 EJABLO CC(C)c1[nH+]ccn1-c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000096191756 564066540 /nfs/dbraw/zinc/06/65/40/564066540.db2.gz NZHRWYQZVFHTPQ-BBWFWOEESA-N 1 2 337.467 4.761 40 0 EJABLO CNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329040322 564071851 /nfs/dbraw/zinc/07/18/51/564071851.db2.gz SDJBESXFIAXMQP-UHFFFAOYSA-N 1 2 332.451 4.648 40 0 EJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Cl ZINC000226254617 564117255 /nfs/dbraw/zinc/11/72/55/564117255.db2.gz FTVMEYGPWDEDFS-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Cl ZINC000226254617 564117256 /nfs/dbraw/zinc/11/72/56/564117256.db2.gz FTVMEYGPWDEDFS-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2ccccc2F)n1 ZINC000019240249 202001660 /nfs/dbraw/zinc/00/16/60/202001660.db2.gz ITMODUBEGLKBDU-MRXNPFEDSA-N 1 2 332.469 4.726 40 0 EJABLO Cc1cccc(C(=O)Nc2cc([N@H+]3CCCC[C@H]3C)c(C)cc2N)c1 ZINC000216867151 241218160 /nfs/dbraw/zinc/21/81/60/241218160.db2.gz SKUSFOBCLIVPFH-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO Cc1cccc(C(=O)Nc2cc([N@@H+]3CCCC[C@H]3C)c(C)cc2N)c1 ZINC000216867151 241218164 /nfs/dbraw/zinc/21/81/64/241218164.db2.gz SKUSFOBCLIVPFH-MRXNPFEDSA-N 1 2 337.467 4.517 40 0 EJABLO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226260597 242092100 /nfs/dbraw/zinc/09/21/00/242092100.db2.gz OVBFTHDWYULJQH-UHFFFAOYSA-N 1 2 339.483 4.665 40 0 EJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 ZINC000226254849 242093515 /nfs/dbraw/zinc/09/35/15/242093515.db2.gz MGSZKSFQLATMTI-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 ZINC000226254849 242093519 /nfs/dbraw/zinc/09/35/19/242093519.db2.gz MGSZKSFQLATMTI-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO CC(C)(C)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000243193825 243025200 /nfs/dbraw/zinc/02/52/00/243025200.db2.gz KBFSMBCBUABWPL-UHFFFAOYSA-N 1 2 332.451 4.966 40 0 EJABLO Fc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)cc1F ZINC000244454119 243039505 /nfs/dbraw/zinc/03/95/05/243039505.db2.gz ZDMLUUHKOAKIIA-UHFFFAOYSA-N 1 2 338.361 4.740 40 0 EJABLO Cc1cc(C)c2cc3c(nc2c1)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013562926 563701729 /nfs/dbraw/zinc/70/17/29/563701729.db2.gz SRVUXEXRXVWPLI-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc(C)c2cc3c(nc2c1)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013562926 563701732 /nfs/dbraw/zinc/70/17/32/563701732.db2.gz SRVUXEXRXVWPLI-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc2cc3c(nc2cc1C)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013561613 563701776 /nfs/dbraw/zinc/70/17/76/563701776.db2.gz SIUNGOPICXEUEW-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc2cc3c(nc2cc1C)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013561613 563701780 /nfs/dbraw/zinc/70/17/80/563701780.db2.gz SIUNGOPICXEUEW-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO CC(C)N(c1[nH+]cccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000072213014 563984549 /nfs/dbraw/zinc/98/45/49/563984549.db2.gz UBPFQNROZNKOOE-QGZVFWFLSA-N 1 2 347.503 4.777 40 0 EJABLO CC[C@H](C)Nc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213556 563984577 /nfs/dbraw/zinc/98/45/77/563984577.db2.gz GLABRFUAESHSMK-GOEBONIOSA-N 1 2 333.476 4.754 40 0 EJABLO CC(C)CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213351 563984585 /nfs/dbraw/zinc/98/45/85/563984585.db2.gz RYSQMXBBAODDTL-LJQANCHMSA-N 1 2 337.467 4.517 40 0 EJABLO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C2=[NH+]CCCC2)cn1 ZINC000072215136 563985118 /nfs/dbraw/zinc/98/51/18/563985118.db2.gz GJAYIBNNBFVWNA-AWEZNQCLSA-N 1 2 331.460 4.595 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216640 563985501 /nfs/dbraw/zinc/98/55/01/563985501.db2.gz GDNSSEOIDOAWMY-KRWDZBQOSA-N 1 2 345.487 4.534 40 0 EJABLO CC[C@@H](C)Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000240826238 563995826 /nfs/dbraw/zinc/99/58/26/563995826.db2.gz BEBYOCOHYMLSGI-QGZVFWFLSA-N 1 2 346.478 5.009 40 0 EJABLO CC[C@H](C)Nc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000240826236 563995849 /nfs/dbraw/zinc/99/58/49/563995849.db2.gz BEBYOCOHYMLSGI-KRWDZBQOSA-N 1 2 346.478 5.009 40 0 EJABLO Cc1cc2cc3c(nc2cc1Cl)OCC[N@H+](Cc1ccccc1)C3 ZINC000013563713 564020305 /nfs/dbraw/zinc/02/03/05/564020305.db2.gz VWXBHTROKFCCMF-UHFFFAOYSA-N 1 2 338.838 4.591 40 0 EJABLO Cc1cc2cc3c(nc2cc1Cl)OCC[N@@H+](Cc1ccccc1)C3 ZINC000013563713 564020306 /nfs/dbraw/zinc/02/03/06/564020306.db2.gz VWXBHTROKFCCMF-UHFFFAOYSA-N 1 2 338.838 4.591 40 0 EJABLO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013563844 564020367 /nfs/dbraw/zinc/02/03/67/564020367.db2.gz JLBRSCLMUBJBOK-MRXNPFEDSA-N 1 2 332.447 4.580 40 0 EJABLO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013563844 564020368 /nfs/dbraw/zinc/02/03/68/564020368.db2.gz JLBRSCLMUBJBOK-MRXNPFEDSA-N 1 2 332.447 4.580 40 0 EJABLO CCc1cccc(C)c1NC(=O)C1CC[NH+](c2ccc(C)cc2)CC1 ZINC000219855952 564035476 /nfs/dbraw/zinc/03/54/76/564035476.db2.gz RTWIEUSABNOIKJ-UHFFFAOYSA-N 1 2 336.479 4.721 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000219852542 564035489 /nfs/dbraw/zinc/03/54/89/564035489.db2.gz RLDOPHOVNXDUFL-UHFFFAOYSA-N 1 2 342.870 4.812 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)cc1 ZINC000219855611 564035512 /nfs/dbraw/zinc/03/55/12/564035512.db2.gz GOOGQVNSGPINEQ-UHFFFAOYSA-N 1 2 336.479 4.775 40 0 EJABLO CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(Nc2ccccc2)[nH+]1 ZINC000329000051 564071432 /nfs/dbraw/zinc/07/14/32/564071432.db2.gz JYTJCFDDNSKHLQ-MRXNPFEDSA-N 1 2 344.462 4.734 40 0 EJABLO CC(C)c1nc(N2CCc3ccccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329010184 564071521 /nfs/dbraw/zinc/07/15/21/564071521.db2.gz LZVWQEGXIAWDFB-UHFFFAOYSA-N 1 2 344.462 4.906 40 0 EJABLO CC(C)c1nc(Nc2ccccc2)cc(N2CCc3ccccc3C2)[nH+]1 ZINC000329010184 564071522 /nfs/dbraw/zinc/07/15/22/564071522.db2.gz LZVWQEGXIAWDFB-UHFFFAOYSA-N 1 2 344.462 4.906 40 0 EJABLO CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2F)cc(C2CC2)[nH+]1 ZINC000329033291 564071739 /nfs/dbraw/zinc/07/17/39/564071739.db2.gz QTJWJTLISUDXSM-UHFFFAOYSA-N 1 2 334.826 4.522 40 0 EJABLO Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)ccc1F ZINC000329057300 564071985 /nfs/dbraw/zinc/07/19/85/564071985.db2.gz VXHACGLPODSVII-UHFFFAOYSA-N 1 2 336.414 4.577 40 0 EJABLO Cc1cc2c(cc1C)C[NH+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C2 ZINC000008367548 564127258 /nfs/dbraw/zinc/12/72/58/564127258.db2.gz IBALRGQLOUJWRW-UHFFFAOYSA-N 1 2 349.261 4.565 40 0 EJABLO C[C@](O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000004742971 210265058 /nfs/dbraw/zinc/26/50/58/210265058.db2.gz XROUXDULVYPFKP-UYRQCKRZSA-N 1 2 329.443 4.520 40 0 EJABLO C[C@](O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000004742971 210265061 /nfs/dbraw/zinc/26/50/61/210265061.db2.gz XROUXDULVYPFKP-UYRQCKRZSA-N 1 2 329.443 4.520 40 0 EJABLO Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc(-c2ccc(F)cc2)[nH+]1 ZINC000049467948 214010695 /nfs/dbraw/zinc/01/06/95/214010695.db2.gz BFVLZCKCONECDE-UHFFFAOYSA-N 1 2 349.196 4.915 40 0 EJABLO Nc1cc(Nc2ccc(Cl)c(Cl)c2)[nH+]c(-c2ccc(F)cc2)n1 ZINC000049467948 214010696 /nfs/dbraw/zinc/01/06/96/214010696.db2.gz BFVLZCKCONECDE-UHFFFAOYSA-N 1 2 349.196 4.915 40 0 EJABLO Cc1cc[nH+]c(Nc2ccc(Br)cc2C(F)(F)F)c1 ZINC000199715782 241037199 /nfs/dbraw/zinc/03/71/99/241037199.db2.gz NMCVTFAMCYQCHM-UHFFFAOYSA-N 1 2 331.135 4.915 40 0 EJABLO Cc1cc(N)c(NC(=O)c2ccccc2)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000216866794 241217951 /nfs/dbraw/zinc/21/79/51/241217951.db2.gz DGWUGTJGKLDCDJ-HOTGVXAUSA-N 1 2 337.467 4.597 40 0 EJABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NC(C)C)n2)c1 ZINC000243953201 243034810 /nfs/dbraw/zinc/03/48/10/243034810.db2.gz RYUCEGIBDSMPHE-UHFFFAOYSA-N 1 2 334.423 4.716 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH]c[nH+]1 ZINC000118926936 221205598 /nfs/dbraw/zinc/20/55/98/221205598.db2.gz BBUJYEQSYYZBDG-WZYQIZRJSA-N 1 2 340.511 4.817 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1c[nH+]c[nH]1 ZINC000118926936 221205604 /nfs/dbraw/zinc/20/56/04/221205604.db2.gz BBUJYEQSYYZBDG-WZYQIZRJSA-N 1 2 340.511 4.817 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214016 257689668 /nfs/dbraw/zinc/68/96/68/257689668.db2.gz ZOFUATXXQKRFTJ-KRWDZBQOSA-N 1 2 345.487 4.898 40 0 EJABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1NC1CCCCC1 ZINC000072214026 257689832 /nfs/dbraw/zinc/68/98/32/257689832.db2.gz MERMSEIBXYZREA-FQEVSTJZSA-N 1 2 349.478 4.804 40 0 EJABLO c1ccc(C[NH2+]CN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000005518206 563536547 /nfs/dbraw/zinc/53/65/47/563536547.db2.gz QLNYXSZSBGQDLK-HSZRJFAPSA-N 1 2 341.458 4.585 40 0 EJABLO CC[C@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213570 563984565 /nfs/dbraw/zinc/98/45/65/563984565.db2.gz PQPUMGBUZNYLNW-LPHOPBHVSA-N 1 2 337.467 4.659 40 0 EJABLO CC[C@@H](C)Nc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213569 563984597 /nfs/dbraw/zinc/98/45/97/563984597.db2.gz PQPUMGBUZNYLNW-APWZRJJASA-N 1 2 337.467 4.659 40 0 EJABLO CSc1cccc(NC(=O)C2CC[NH+](c3ccc(C)cc3)CC2)c1 ZINC000219854147 564035464 /nfs/dbraw/zinc/03/54/64/564035464.db2.gz BRGQZPRLJNGFCU-UHFFFAOYSA-N 1 2 340.492 4.572 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000219852689 564035483 /nfs/dbraw/zinc/03/54/83/564035483.db2.gz ZZVBEULKFQJDET-UHFFFAOYSA-N 1 2 342.870 4.812 40 0 EJABLO CC(C)(C)Nc1nc(Nc2ccc(O)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329018371 564071581 /nfs/dbraw/zinc/07/15/81/564071581.db2.gz NQYYKWQFEBHOTI-UHFFFAOYSA-N 1 2 334.423 4.803 40 0 EJABLO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(Nc2ccccc2)[nH+]1 ZINC000329053183 564071992 /nfs/dbraw/zinc/07/19/92/564071992.db2.gz VEIRDGYOPMUMMX-UHFFFAOYSA-N 1 2 344.462 4.870 40 0 EJABLO C[C@@](O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@@H+]1Cc1ccccc1 ZINC000004742970 210265353 /nfs/dbraw/zinc/26/53/53/210265353.db2.gz XROUXDULVYPFKP-CYZFVCCVSA-N 1 2 329.443 4.520 40 0 EJABLO C[C@@](O)(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[N@H+]1Cc1ccccc1 ZINC000004742970 210265356 /nfs/dbraw/zinc/26/53/56/210265356.db2.gz XROUXDULVYPFKP-CYZFVCCVSA-N 1 2 329.443 4.520 40 0 EJABLO Clc1cccc(C[N@@H+]2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000072390168 216190608 /nfs/dbraw/zinc/19/06/08/216190608.db2.gz OVVRMMQMVPWUAR-HNNXBMFYSA-N 1 2 345.855 4.789 40 0 EJABLO Clc1cccc(C[N@H+]2CCC[C@H]2c2nnc(-c3ccsc3)o2)c1 ZINC000072390168 216190610 /nfs/dbraw/zinc/19/06/10/216190610.db2.gz OVVRMMQMVPWUAR-HNNXBMFYSA-N 1 2 345.855 4.789 40 0 EJABLO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390145 216191263 /nfs/dbraw/zinc/19/12/63/216191263.db2.gz BYJRRONZNLRZQJ-MRXNPFEDSA-N 1 2 343.427 4.664 40 0 EJABLO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390145 216191267 /nfs/dbraw/zinc/19/12/67/216191267.db2.gz BYJRRONZNLRZQJ-MRXNPFEDSA-N 1 2 343.427 4.664 40 0 EJABLO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390146 216191569 /nfs/dbraw/zinc/19/15/69/216191569.db2.gz BYJRRONZNLRZQJ-INIZCTEOSA-N 1 2 343.427 4.664 40 0 EJABLO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390146 216191570 /nfs/dbraw/zinc/19/15/70/216191570.db2.gz BYJRRONZNLRZQJ-INIZCTEOSA-N 1 2 343.427 4.664 40 0 EJABLO COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC(C)C)n1 ZINC000242457283 243022185 /nfs/dbraw/zinc/02/21/85/243022185.db2.gz BPQKFBAIPIYAQM-UHFFFAOYSA-N 1 2 334.423 4.716 40 0 EJABLO Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NC2CC2)n1 ZINC000243345056 243024335 /nfs/dbraw/zinc/02/43/35/243024335.db2.gz LVANWFGHGVDWGO-UHFFFAOYSA-N 1 2 330.435 4.638 40 0 EJABLO CC(C)c1[nH]c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2[nH+]1 ZINC000013139516 563690930 /nfs/dbraw/zinc/69/09/30/563690930.db2.gz QJUCHTYUZIBBCA-UHFFFAOYSA-N 1 2 337.467 4.841 40 0 EJABLO C[C@H]1C(=O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000013597506 563703259 /nfs/dbraw/zinc/70/32/59/563703259.db2.gz GVIAXRUEUWNZTF-LIXBPZJASA-N 1 2 334.246 4.974 40 0 EJABLO Cc1cc(C)[nH+]c(/C=C(\NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000016952720 563826794 /nfs/dbraw/zinc/82/67/94/563826794.db2.gz ZTVNNZAFHQRGAA-QNGOZBTKSA-N 1 2 328.415 4.627 40 0 EJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213441 563984553 /nfs/dbraw/zinc/98/45/53/563984553.db2.gz NSTFDXBOZMPHJD-ZBFHGGJFSA-N 1 2 333.476 4.754 40 0 EJABLO CC[C@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213460 563984556 /nfs/dbraw/zinc/98/45/56/563984556.db2.gz NQWMDAWPOCWPBD-QFBILLFUSA-N 1 2 337.467 4.659 40 0 EJABLO CC[C@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213458 563984558 /nfs/dbraw/zinc/98/45/58/563984558.db2.gz NQWMDAWPOCWPBD-LPHOPBHVSA-N 1 2 337.467 4.659 40 0 EJABLO CCCCNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213627 563984622 /nfs/dbraw/zinc/98/46/22/563984622.db2.gz RMUQYBQGROSQRJ-MRXNPFEDSA-N 1 2 333.476 4.756 40 0 EJABLO Cc1ccc(C)c2nc3c(cc12)C[N@@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563748 564020267 /nfs/dbraw/zinc/02/02/67/564020267.db2.gz YYXJSIWKYNEJHB-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc(C)c2nc3c(cc12)C[N@H+](Cc1ccccc1)C[C@@H](C)O3 ZINC000013563748 564020268 /nfs/dbraw/zinc/02/02/68/564020268.db2.gz YYXJSIWKYNEJHB-QGZVFWFLSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc(C)c2nc3c(cc2c1)C[N@@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013562933 564020283 /nfs/dbraw/zinc/02/02/83/564020283.db2.gz UKEPZOZSQMORDS-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1cc(C)c2nc3c(cc2c1)C[N@H+](Cc1ccccc1)C[C@H](C)O3 ZINC000013562933 564020284 /nfs/dbraw/zinc/02/02/84/564020284.db2.gz UKEPZOZSQMORDS-KRWDZBQOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000219854483 564035472 /nfs/dbraw/zinc/03/54/72/564035472.db2.gz FASLZMQLBOPUCY-UHFFFAOYSA-N 1 2 346.833 4.643 40 0 EJABLO COC(=O)c1cccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)c1 ZINC000040164046 564045741 /nfs/dbraw/zinc/04/57/41/564045741.db2.gz JQPSDDIIPKLQTB-UHFFFAOYSA-N 1 2 346.308 4.784 40 0 EJABLO Cc1cc[nH+]c(Nc2cc(C(F)(F)F)ccc2Br)c1 ZINC000228958894 564118200 /nfs/dbraw/zinc/11/82/00/564118200.db2.gz WBWQVPNTPDZVAQ-UHFFFAOYSA-N 1 2 331.135 4.915 40 0 EJABLO Cc1cc(C)[nH+]c(/C=C(/NC(=O)c2ccccc2)c2ccccc2)c1 ZINC000104272585 219368331 /nfs/dbraw/zinc/36/83/31/219368331.db2.gz ZTVNNZAFHQRGAA-RCCKNPSSSA-N 1 2 328.415 4.627 40 0 EJABLO Nc1ccc2[nH]c(-c3cccc4c(Br)cccc34)[nH+]c2c1 ZINC000022124693 212278098 /nfs/dbraw/zinc/27/80/98/212278098.db2.gz PGQLNXZZERWFMH-UHFFFAOYSA-N 1 2 338.208 4.728 40 0 EJABLO c1ccc(-c2cc(NCc3ccccn3)nc(NC3CCCC3)[nH+]2)cc1 ZINC000242775278 243021370 /nfs/dbraw/zinc/02/13/70/243021370.db2.gz DUGZTKBSCUVCGM-UHFFFAOYSA-N 1 2 345.450 4.505 40 0 EJABLO Cc1sc2c(c1C)C[N@H+](CCC(C)C)CN2C(=O)c1ccccc1 ZINC000020193337 212110001 /nfs/dbraw/zinc/11/00/01/212110001.db2.gz DZDDWSPGQOZUGX-UHFFFAOYSA-N 1 2 342.508 4.831 40 0 EJABLO Cc1sc2c(c1C)C[N@@H+](CCC(C)C)CN2C(=O)c1ccccc1 ZINC000020193337 212110002 /nfs/dbraw/zinc/11/00/02/212110002.db2.gz DZDDWSPGQOZUGX-UHFFFAOYSA-N 1 2 342.508 4.831 40 0 EJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 ZINC000226254101 205122140 /nfs/dbraw/zinc/12/21/40/205122140.db2.gz SALRMMKEQWHNHT-AWEZNQCLSA-N 1 2 349.434 4.646 40 0 EJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cc2ccccc2o1 ZINC000226254101 205122144 /nfs/dbraw/zinc/12/21/44/205122144.db2.gz SALRMMKEQWHNHT-AWEZNQCLSA-N 1 2 349.434 4.646 40 0 EJABLO CC(C)CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c[nH+]1 ZINC000072213342 257689838 /nfs/dbraw/zinc/68/98/38/257689838.db2.gz PCHRGSLMBZJDSR-INIZCTEOSA-N 1 2 333.476 4.612 40 0 EJABLO Cc1[nH+]c2cc(NC(=O)N(C)c3ccc4ccccc4c3)ccc2n1C ZINC000409127569 257877952 /nfs/dbraw/zinc/87/79/52/257877952.db2.gz DEHWCZDPUDZQDK-UHFFFAOYSA-N 1 2 344.418 4.703 40 0 EJABLO COc1ccc(CNc2c(-c3cccs3)[nH+]c3ccccn32)cc1 ZINC000000413666 563308404 /nfs/dbraw/zinc/30/84/04/563308404.db2.gz USMZSAPJABRMQU-UHFFFAOYSA-N 1 2 335.432 4.684 40 0 EJABLO Brc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211580 563984423 /nfs/dbraw/zinc/98/44/23/563984423.db2.gz YUVABGLADCUINI-INIZCTEOSA-N 1 2 331.257 4.571 40 0 EJABLO Brc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211580 563984424 /nfs/dbraw/zinc/98/44/24/563984424.db2.gz YUVABGLADCUINI-INIZCTEOSA-N 1 2 331.257 4.571 40 0 EJABLO CC(C)N(c1[nH+]cccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000072213013 563984508 /nfs/dbraw/zinc/98/45/08/563984508.db2.gz UBPFQNROZNKOOE-KRWDZBQOSA-N 1 2 347.503 4.777 40 0 EJABLO CC(C)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)c[nH+]1)C(C)C ZINC000072212954 563984529 /nfs/dbraw/zinc/98/45/29/563984529.db2.gz XFUAJYCGDQCXOP-QGZVFWFLSA-N 1 2 347.503 4.777 40 0 EJABLO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C1=[NH+]CCCC1 ZINC000072215247 563985145 /nfs/dbraw/zinc/98/51/45/563985145.db2.gz WZSMTWWAOWWHCO-CQSZACIVSA-N 1 2 331.460 4.595 40 0 EJABLO CCOc1ccccc1C[N@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569711 564020183 /nfs/dbraw/zinc/02/01/83/564020183.db2.gz ZHDWNOJQHIAUIA-UHFFFAOYSA-N 1 2 338.476 4.744 40 0 EJABLO CCOc1ccccc1C[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000013569711 564020184 /nfs/dbraw/zinc/02/01/84/564020184.db2.gz ZHDWNOJQHIAUIA-UHFFFAOYSA-N 1 2 338.476 4.744 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3C)CC2)cc1 ZINC000219852468 564035516 /nfs/dbraw/zinc/03/55/16/564035516.db2.gz KETQQSVCKKWCRV-UHFFFAOYSA-N 1 2 342.870 4.812 40 0 EJABLO c1ccc(Nc2cc(N3CCc4ccccc4C3)nc(C3CC3)[nH+]2)cc1 ZINC000329025227 564071628 /nfs/dbraw/zinc/07/16/28/564071628.db2.gz PERBLOGDRODSBU-UHFFFAOYSA-N 1 2 342.446 4.660 40 0 EJABLO c1ccc(Nc2cc(N3CCc4ccccc4C3)[nH+]c(C3CC3)n2)cc1 ZINC000329025227 564071629 /nfs/dbraw/zinc/07/16/29/564071629.db2.gz PERBLOGDRODSBU-UHFFFAOYSA-N 1 2 342.446 4.660 40 0 EJABLO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Cl ZINC000226254603 564117270 /nfs/dbraw/zinc/11/72/70/564117270.db2.gz FTVMEYGPWDEDFS-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccccc1Cl ZINC000226254603 564117271 /nfs/dbraw/zinc/11/72/71/564117271.db2.gz FTVMEYGPWDEDFS-CYBMUJFWSA-N 1 2 343.858 4.553 40 0 EJABLO Fc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1F ZINC000019292769 202003388 /nfs/dbraw/zinc/00/33/88/202003388.db2.gz ROPFNLNCASTPEQ-CQSZACIVSA-N 1 2 336.432 4.556 40 0 EJABLO CC[C@H](C)Nc1nc(NCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000242649750 243021503 /nfs/dbraw/zinc/02/15/03/243021503.db2.gz CRIOQVULJOVEOQ-INIZCTEOSA-N 1 2 332.451 4.966 40 0 EJABLO c1coc(CNc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c1 ZINC000244358888 243038818 /nfs/dbraw/zinc/03/88/18/243038818.db2.gz XUZBMYUVZOCPMM-UHFFFAOYSA-N 1 2 334.423 4.703 40 0 EJABLO CC(=O)N1C[N@H+](CCC2=CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000020192325 212110108 /nfs/dbraw/zinc/11/01/08/212110108.db2.gz RLGAVDRBJMSWMC-UHFFFAOYSA-N 1 2 344.524 4.643 40 0 EJABLO CC(=O)N1C[N@@H+](CCC2=CCCCC2)Cc2c3c(sc21)CCCC3 ZINC000020192325 212110110 /nfs/dbraw/zinc/11/01/10/212110110.db2.gz RLGAVDRBJMSWMC-UHFFFAOYSA-N 1 2 344.524 4.643 40 0 EJABLO CCCCNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213695 257689476 /nfs/dbraw/zinc/68/94/76/257689476.db2.gz TZNILLCSNULFRT-LJQANCHMSA-N 1 2 337.467 4.661 40 0 EJABLO Cc1ccc2cc3c(nc2c1C)O[C@@H](C)C[N@H+](Cc1ccccc1)C3 ZINC000013561612 563701767 /nfs/dbraw/zinc/70/17/67/563701767.db2.gz HBWWAZOBNAUOFS-INIZCTEOSA-N 1 2 332.447 4.635 40 0 EJABLO Cc1ccc2cc3c(nc2c1C)O[C@@H](C)C[N@@H+](Cc1ccccc1)C3 ZINC000013561612 563701771 /nfs/dbraw/zinc/70/17/71/563701771.db2.gz HBWWAZOBNAUOFS-INIZCTEOSA-N 1 2 332.447 4.635 40 0 EJABLO Clc1ccc2[nH+]c(CSc3cccc4cccnc43)cn2c1 ZINC000012559158 563895087 /nfs/dbraw/zinc/89/50/87/563895087.db2.gz NJVVJKBLOPLRHM-UHFFFAOYSA-N 1 2 325.824 4.828 40 0 EJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000072213457 563984562 /nfs/dbraw/zinc/98/45/62/563984562.db2.gz NQWMDAWPOCWPBD-APWZRJJASA-N 1 2 337.467 4.659 40 0 EJABLO CC[C@@H](C)Nc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213443 563984600 /nfs/dbraw/zinc/98/46/00/563984600.db2.gz NSTFDXBOZMPHJD-GDBMZVCRSA-N 1 2 333.476 4.754 40 0 EJABLO CCCCNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c[nH+]1 ZINC000072213694 563984633 /nfs/dbraw/zinc/98/46/33/563984633.db2.gz TZNILLCSNULFRT-IBGZPJMESA-N 1 2 337.467 4.661 40 0 EJABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCCCCC2)[nH+]c1 ZINC000072216639 563985522 /nfs/dbraw/zinc/98/55/22/563985522.db2.gz GDNSSEOIDOAWMY-QGZVFWFLSA-N 1 2 345.487 4.534 40 0 EJABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000219849019 564035487 /nfs/dbraw/zinc/03/54/87/564035487.db2.gz PMRNUSUZGHAVSF-UHFFFAOYSA-N 1 2 328.843 4.504 40 0 EJABLO COC(=O)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000040164044 564045725 /nfs/dbraw/zinc/04/57/25/564045725.db2.gz MQRHFGHOGPXKHM-UHFFFAOYSA-N 1 2 346.308 4.784 40 0 EJABLO CC[C@@H](C)Nc1nc(Nc2cccc(C)c2C)cc(-c2ccccc2)[nH+]1 ZINC000328963490 564070986 /nfs/dbraw/zinc/07/09/86/564070986.db2.gz BOZOHWSFABWHMU-MRXNPFEDSA-N 1 2 346.478 4.558 40 0 EJABLO Cc1ccc(Nc2cc(N)[nH+]c(-c3ccc(F)cc3)n2)cc1Cl ZINC000049467960 214010786 /nfs/dbraw/zinc/01/07/86/214010786.db2.gz UEMMLGFVWMCVTH-UHFFFAOYSA-N 1 2 328.778 4.570 40 0 EJABLO Cc1ccc(Nc2cc(N)nc(-c3ccc(F)cc3)[nH+]2)cc1Cl ZINC000049467960 214010790 /nfs/dbraw/zinc/01/07/90/214010790.db2.gz UEMMLGFVWMCVTH-UHFFFAOYSA-N 1 2 328.778 4.570 40 0 EJABLO Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038860001 213229373 /nfs/dbraw/zinc/22/93/73/213229373.db2.gz UFFFPVPFPRTEEO-UHFFFAOYSA-N 1 2 333.435 4.616 40 0 EJABLO Fc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)cc1 ZINC000035165564 213012033 /nfs/dbraw/zinc/01/20/33/213012033.db2.gz JNCQVEDGQFGALE-UHFFFAOYSA-N 1 2 349.384 4.975 40 0 EJABLO Cc1cc[nH+]c(Nc2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000199715880 241036906 /nfs/dbraw/zinc/03/69/06/241036906.db2.gz MPHWSCKDDGFFSO-UHFFFAOYSA-N 1 2 331.135 4.915 40 0 EJABLO Cc1ccc([C@H](NC(=S)Nc2cc[nH+]cc2)c2ccccc2)c(C)c1 ZINC000225769711 242026623 /nfs/dbraw/zinc/02/66/23/242026623.db2.gz IMXQJPRUNZEQNJ-HXUWFJFHSA-N 1 2 347.487 4.774 40 0 EJABLO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 ZINC000226254861 205121221 /nfs/dbraw/zinc/12/12/21/205121221.db2.gz MGSZKSFQLATMTI-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1 ZINC000226254861 205121225 /nfs/dbraw/zinc/12/12/25/205121225.db2.gz MGSZKSFQLATMTI-ZDUSSCGKSA-N 1 2 343.858 4.553 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH]c[nH+]1 ZINC000118926932 221205008 /nfs/dbraw/zinc/20/50/08/221205008.db2.gz BBUJYEQSYYZBDG-GIPCDWCDSA-N 1 2 340.511 4.817 40 0 EJABLO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1c[nH+]c[nH]1 ZINC000118926932 221205012 /nfs/dbraw/zinc/20/50/12/221205012.db2.gz BBUJYEQSYYZBDG-GIPCDWCDSA-N 1 2 340.511 4.817 40 0 EJABLO CC(C)(C)OC(=O)N(c1ncccc1C1=[NH+]CCCC1)C1CCCC1 ZINC000072215633 257688178 /nfs/dbraw/zinc/68/81/78/257688178.db2.gz JZTQSEIKGFCIHW-UHFFFAOYSA-N 1 2 343.471 4.739 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(NC2CCC2)[nH+]c1 ZINC000072213867 257689268 /nfs/dbraw/zinc/68/92/68/257689268.db2.gz LGZAXECOVILHJD-INIZCTEOSA-N 1 2 331.460 4.508 40 0 EJABLO CC[C@H](C)Nc1nc(Nc2ccc(C)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328985347 257907884 /nfs/dbraw/zinc/90/78/84/257907884.db2.gz HSYLHCHGDUXNJD-INIZCTEOSA-N 1 2 332.451 4.828 40 0 EJABLO Brc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072211579 563984408 /nfs/dbraw/zinc/98/44/08/563984408.db2.gz YUVABGLADCUINI-MRXNPFEDSA-N 1 2 331.257 4.571 40 0 EJABLO Brc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072211579 563984409 /nfs/dbraw/zinc/98/44/09/563984409.db2.gz YUVABGLADCUINI-MRXNPFEDSA-N 1 2 331.257 4.571 40 0 EJABLO CC(C)CNc1[nH+]cccc1[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000072213283 563984571 /nfs/dbraw/zinc/98/45/71/563984571.db2.gz BUEZITDDUVQKGB-MRXNPFEDSA-N 1 2 333.476 4.612 40 0 EJABLO CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc[nH+]c1NC1CCC1 ZINC000072213927 563984643 /nfs/dbraw/zinc/98/46/43/563984643.db2.gz SUONYLRBTHOLQE-INIZCTEOSA-N 1 2 331.460 4.508 40 0 EJABLO C[C@H]1C(=O)C[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000033759809 564037345 /nfs/dbraw/zinc/03/73/45/564037345.db2.gz GVIAXRUEUWNZTF-SDDDUWNISA-N 1 2 334.246 4.974 40 0 EJABLO S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1cc[nH+]cc1 ZINC000223977650 564041341 /nfs/dbraw/zinc/04/13/41/564041341.db2.gz RXCHXGQMNKIQRZ-UHFFFAOYSA-N 1 2 345.899 4.533 40 0 EJABLO CC(C)(C)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328964917 564070957 /nfs/dbraw/zinc/07/09/57/564070957.db2.gz BYEHFGCQHROLHU-UHFFFAOYSA-N 1 2 348.397 4.909 40 0 EJABLO CNc1nc(Nc2ccc(C(C)C)c(C)c2)cc(-c2ccccc2)[nH+]1 ZINC000329017328 564071567 /nfs/dbraw/zinc/07/15/67/564071567.db2.gz NKRFZQGFDADNRI-UHFFFAOYSA-N 1 2 332.451 4.783 40 0 EJABLO CCOc1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1 ZINC000329025266 564071634 /nfs/dbraw/zinc/07/16/34/564071634.db2.gz PFBXXTIZUMLQCN-UHFFFAOYSA-N 1 2 326.444 4.707 40 0 EJABLO