smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NNc1cccnc1Cl ZINC000822004387 945918497 /nfs/dbraw/zinc/91/84/97/945918497.db2.gz GPABAWZERUAGSF-UHFFFAOYSA-N 0 2 388.819 1.708 20 50 GDGDLN O=C(NNC(=O)c1cc(F)cc(Cl)c1O)c1ccc(-c2nn[nH]n2)cc1 ZINC000823277287 946399510 /nfs/dbraw/zinc/39/95/10/946399510.db2.gz JBTOKKMYTUXSIF-UHFFFAOYSA-N 0 2 376.735 1.440 20 50 GDGDLN CC(=O)c1cccc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000824029102 946562119 /nfs/dbraw/zinc/56/21/19/946562119.db2.gz CZCQQVBBEDVJCN-UHFFFAOYSA-N 0 2 387.787 1.640 20 50 GDGDLN CCc1nn(C)c(Cl)c1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825760424 947320389 /nfs/dbraw/zinc/32/03/89/947320389.db2.gz ZGMUWTIJABVYSK-UHFFFAOYSA-N 0 2 382.215 1.621 20 50 GDGDLN CCc1sc(C(=O)NNC(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000830403608 601020497 /nfs/dbraw/zinc/02/04/97/601020497.db2.gz RZQWZXUOCKBYSC-NSHDSACASA-N 0 2 385.511 1.272 20 50 GDGDLN CCc1sc(C(=O)NNC(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])cc1C ZINC000830403608 601020501 /nfs/dbraw/zinc/02/05/01/601020501.db2.gz RZQWZXUOCKBYSC-NSHDSACASA-N 0 2 385.511 1.272 20 50 GDGDLN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1Cl ZINC000825193397 603554212 /nfs/dbraw/zinc/55/42/12/603554212.db2.gz IPWBIPHCTBEDLU-RISCZKNCSA-N 0 2 382.848 1.612 20 50 GDGDLN C[C@@H](NC(=O)[O-])[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1ccccc1Cl ZINC000825193397 603554216 /nfs/dbraw/zinc/55/42/16/603554216.db2.gz IPWBIPHCTBEDLU-RISCZKNCSA-N 0 2 382.848 1.612 20 50 GDGDLN O=C(NNC(=O)c1cc(-c2nn[nH]n2)cs1)c1ccc(Br)s1 ZINC000823277834 606536322 /nfs/dbraw/zinc/53/63/22/606536322.db2.gz XXOXOKLKRHILMM-UHFFFAOYSA-N 0 2 399.255 1.827 20 50 GDGDLN C[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)N1CCc2ccccc21 ZINC000824040985 608575464 /nfs/dbraw/zinc/57/54/64/608575464.db2.gz WCUGZGGXWGDFSB-JTQLQIEISA-N 0 2 384.831 1.809 20 50 GDGDLN CC(=O)Nc1nc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cs1 ZINC000824004893 608575490 /nfs/dbraw/zinc/57/54/90/608575490.db2.gz FHFJETWCFCNYFY-UHFFFAOYSA-N 0 2 379.793 1.087 20 50 GDGDLN Cc1nc2ccccc2n1CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826329314 608575915 /nfs/dbraw/zinc/57/59/15/608575915.db2.gz YFXPRTQOQFPHRJ-UHFFFAOYSA-N 0 2 383.803 1.717 20 50 GDGDLN CC(C)(C)N1C[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1=O ZINC000824094526 608577052 /nfs/dbraw/zinc/57/70/52/608577052.db2.gz XXMUWEWBVHJMIH-VIFPVBQESA-N 0 2 378.824 1.005 20 50 GDGDLN COc1cc(C)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1OC ZINC000826177862 608577476 /nfs/dbraw/zinc/57/74/76/608577476.db2.gz YNJNPOYGKKHOIL-UHFFFAOYSA-N 0 2 389.803 1.998 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(N2CCCC2)nn1 ZINC000826445765 608581759 /nfs/dbraw/zinc/58/17/59/608581759.db2.gz IVAWPIDSKBHJTQ-UHFFFAOYSA-N 0 2 386.807 1.062 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1csc(NC2CC2)n1 ZINC000826445810 608581768 /nfs/dbraw/zinc/58/17/68/608581768.db2.gz LRKHDODBRNBWBR-UHFFFAOYSA-N 0 2 377.821 1.703 20 50 GDGDLN CCn1nc(C)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1Cl ZINC000825807929 608627332 /nfs/dbraw/zinc/62/73/32/608627332.db2.gz YEPLDNIGFOVKFQ-UHFFFAOYSA-N 0 2 382.215 1.850 20 50 GDGDLN Cc1ccc([C@H](C)[C@H](O)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826282689 608628101 /nfs/dbraw/zinc/62/81/01/608628101.db2.gz ANYDOPZEXUSRAH-BONVTDFDSA-N 0 2 387.831 1.831 20 50 GDGDLN COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC001599161995 998474679 /nfs/dbraw/zinc/47/46/79/998474679.db2.gz UWRIMEIADCSWGS-VGERYCLISA-N 0 2 399.451 1.755 20 50 GDGDLN COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC001599161995 998474687 /nfs/dbraw/zinc/47/46/87/998474687.db2.gz UWRIMEIADCSWGS-VGERYCLISA-N 0 2 399.451 1.755 20 50 GDGDLN O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NNC(=O)c1cccs1 ZINC000834007684 605342996 /nfs/dbraw/zinc/34/29/96/605342996.db2.gz ONTAERIAUUPODR-OLZOCXBDSA-N 0 2 380.470 1.506 20 50 GDGDLN O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)[O-])NNC(=O)c1cccs1 ZINC000834007684 605343003 /nfs/dbraw/zinc/34/30/03/605343003.db2.gz ONTAERIAUUPODR-OLZOCXBDSA-N 0 2 380.470 1.506 20 50 GDGDLN COc1ccc(C(F)(F)C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826188696 607894042 /nfs/dbraw/zinc/89/40/42/607894042.db2.gz DGVXGTGLZZSLHL-UHFFFAOYSA-N 0 2 388.334 1.428 20 50 GDGDLN CC(=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000823948158 607964547 /nfs/dbraw/zinc/96/45/47/607964547.db2.gz FDLQGJCEZSCXCP-UHFFFAOYSA-N 0 2 397.351 1.400 20 50 GDGDLN COc1cccc(OC)c1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826217609 608573360 /nfs/dbraw/zinc/57/33/60/608573360.db2.gz VBMWWTUXZDWGKK-UHFFFAOYSA-N 0 2 375.776 1.689 20 50 GDGDLN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825020938 608574318 /nfs/dbraw/zinc/57/43/18/608574318.db2.gz NXOXOFADGOXNAY-XLKFXECMSA-N 0 2 387.787 1.587 20 50 GDGDLN O=C(Cc1ccc(-n2cccn2)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826422056 608576414 /nfs/dbraw/zinc/57/64/14/608576414.db2.gz KSPDVYDMSUMMLV-UHFFFAOYSA-N 0 2 395.814 1.787 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1csc([C@H]2CCCO2)n1 ZINC000826445829 608581852 /nfs/dbraw/zinc/58/18/52/608581852.db2.gz MSSJDGPSNMRUEF-SECBINFHSA-N 0 2 392.832 1.980 20 50 GDGDLN O=C(COc1ccc(-c2nn[nH]n2)cc1)NNC(=O)c1cnc(C2CC2)s1 ZINC000737918824 945152632 /nfs/dbraw/zinc/15/26/32/945152632.db2.gz MSTBVPWOYMMFRN-UHFFFAOYSA-N 0 2 385.409 1.041 20 50 GDGDLN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2nnc3ccccc3c2O)o1 ZINC000735940354 944725405 /nfs/dbraw/zinc/72/54/05/944725405.db2.gz YXTIGIRZQPHLPW-UHFFFAOYSA-N 0 2 381.356 1.384 20 50 GDGDLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NNc1ccc(Cl)nn1 ZINC000737199304 944982910 /nfs/dbraw/zinc/98/29/10/944982910.db2.gz GJDDWLXIKKLCPE-UHFFFAOYSA-N 0 2 389.807 1.103 20 50 GDGDLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)NNc1ncccc1Cl ZINC000737200879 944983062 /nfs/dbraw/zinc/98/30/62/944983062.db2.gz NRDSRHKEYJEBMD-UHFFFAOYSA-N 0 2 388.819 1.708 20 50 GDGDLN COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC001599161996 998474332 /nfs/dbraw/zinc/47/43/32/998474332.db2.gz UWRIMEIADCSWGS-WCRQOLSMSA-N 0 2 399.451 1.755 20 50 GDGDLN COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC001599161996 998474340 /nfs/dbraw/zinc/47/43/40/998474340.db2.gz UWRIMEIADCSWGS-WCRQOLSMSA-N 0 2 399.451 1.755 20 50 GDGDLN COc1cccc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826217370 608577077 /nfs/dbraw/zinc/57/70/77/608577077.db2.gz JNBRRSPVIOBFOU-UHFFFAOYSA-N 0 2 375.776 1.446 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(=O)[nH]c2ccccc21 ZINC000826445985 608578933 /nfs/dbraw/zinc/57/89/33/608578933.db2.gz UGROPJTUGVLUDN-UHFFFAOYSA-N 0 2 382.771 1.926 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(-n2cccn2)ccn1 ZINC000826445744 608578939 /nfs/dbraw/zinc/57/89/39/608578939.db2.gz HZZSWGOICOSQCX-UHFFFAOYSA-N 0 2 382.775 1.253 20 50 GDGDLN CCC(CC)N1C[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CC1=O ZINC000825108814 608579348 /nfs/dbraw/zinc/57/93/48/608579348.db2.gz ZZLKNTDUYAVHGW-SNVBAGLBSA-N 0 2 392.851 1.395 20 50 GDGDLN CC(=O)NC(=Cc1ccccc1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823989202 608626108 /nfs/dbraw/zinc/62/61/08/608626108.db2.gz PQBDOPDPYUITBT-NTUHNPAUSA-N 0 2 398.814 1.535 20 50 GDGDLN Cn1cc(Br)cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826358181 608628063 /nfs/dbraw/zinc/62/80/63/608628063.db2.gz JKCHJXBXUBMHBV-UHFFFAOYSA-N 0 2 397.624 1.773 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCCN1Cc1ccccn1 ZINC000826445038 608628586 /nfs/dbraw/zinc/62/85/86/608628586.db2.gz DJUZNZLENBKLRX-ZDUSSCGKSA-N 0 2 399.846 1.418 20 50 GDGDLN O=C([O-])C1(C(=O)NNc2cc[nH+]c3cc(Cl)ccc23)CCS(=O)(=O)CC1 ZINC001594867779 954322260 /nfs/dbraw/zinc/32/22/60/954322260.db2.gz RTGBQQVTEPZUCZ-UHFFFAOYSA-N 0 2 397.840 1.611 20 50 GDGDLN COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC001599161989 998474195 /nfs/dbraw/zinc/47/41/95/998474195.db2.gz UWRIMEIADCSWGS-AHDNQTFUSA-N 0 2 399.451 1.755 20 50 GDGDLN COC[C@@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC001599161989 998474203 /nfs/dbraw/zinc/47/42/03/998474203.db2.gz UWRIMEIADCSWGS-AHDNQTFUSA-N 0 2 399.451 1.755 20 50 GDGDLN Cn1nc(C(C)(C)C)cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826365958 608571801 /nfs/dbraw/zinc/57/18/01/608571801.db2.gz LVTZXGSIABWUMT-UHFFFAOYSA-N 0 2 375.824 1.703 20 50 GDGDLN COc1ccc(O[C@H](C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826210649 608573467 /nfs/dbraw/zinc/57/34/67/608573467.db2.gz ZGNKQMCSMPCRNL-SECBINFHSA-N 0 2 389.803 1.834 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(N2CCCC2=O)cc1 ZINC000826446053 608575435 /nfs/dbraw/zinc/57/54/35/608575435.db2.gz XUZYURMMOWJMPU-UHFFFAOYSA-N 0 2 398.814 1.799 20 50 GDGDLN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824065161 608578048 /nfs/dbraw/zinc/57/80/48/608578048.db2.gz USOVXIXXQQVEAP-JTQLQIEISA-N 0 2 392.851 1.395 20 50 GDGDLN O=C(CCSc1ccccn1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826407903 608625535 /nfs/dbraw/zinc/62/55/35/608625535.db2.gz HDWKSQKCZSSUJJ-UHFFFAOYSA-N 0 2 376.833 1.936 20 50 GDGDLN O=C(CNc1ccccc1[N+](=O)[O-])NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826414473 608630707 /nfs/dbraw/zinc/63/07/07/608630707.db2.gz XZALRPWMQUYKLM-UHFFFAOYSA-N 0 2 389.763 1.379 20 50 GDGDLN COc1cccc(NNC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)n1 ZINC000826217080 609173916 /nfs/dbraw/zinc/17/39/16/609173916.db2.gz YDQISJVJTNQOFM-UHFFFAOYSA-N 0 2 384.400 1.064 20 50 GDGDLN COc1nc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)cc2ccccc21 ZINC000737159330 944972273 /nfs/dbraw/zinc/97/22/73/944972273.db2.gz NGHYJCPJFVCGHA-UHFFFAOYSA-N 0 2 389.375 1.498 20 50 GDGDLN O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823277014 946394537 /nfs/dbraw/zinc/39/45/37/946394537.db2.gz BUJKHNRCOGLXPS-UHFFFAOYSA-N 0 2 393.363 1.442 20 50 GDGDLN O=C(NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000826445701 948310750 /nfs/dbraw/zinc/31/07/50/948310750.db2.gz GGJRAPINGDHUNW-UHFFFAOYSA-N 0 2 382.775 1.253 20 50 GDGDLN COc1ccc(Cl)cc1C(=O)NNC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000738017541 978466511 /nfs/dbraw/zinc/46/65/11/978466511.db2.gz ZPTYBYHHEQZVPR-MRXNPFEDSA-N 0 2 391.811 1.525 20 50 GDGDLN O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000739546341 978644316 /nfs/dbraw/zinc/64/43/16/978644316.db2.gz GWTGXJRDXAXZAT-OTWHNJEPSA-N 0 2 393.443 1.482 20 50 GDGDLN O=C([O-])[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC000739546341 978644318 /nfs/dbraw/zinc/64/43/18/978644318.db2.gz GWTGXJRDXAXZAT-OTWHNJEPSA-N 0 2 393.443 1.482 20 50 GDGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001591111920 991774523 /nfs/dbraw/zinc/77/45/23/991774523.db2.gz YWDOSHQAZOGXNI-DZGCQCFKSA-N 0 2 378.473 1.832 20 50 GDGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC001591111920 991774533 /nfs/dbraw/zinc/77/45/33/991774533.db2.gz YWDOSHQAZOGXNI-DZGCQCFKSA-N 0 2 378.473 1.832 20 50 GDGDLN COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1C ZINC001599161994 998474761 /nfs/dbraw/zinc/47/47/61/998474761.db2.gz UWRIMEIADCSWGS-QWQWYJDNSA-N 0 2 399.451 1.755 20 50 GDGDLN COC[C@H](C)n1c(C)cc(C=C(C#N)C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])c1C ZINC001599161994 998474764 /nfs/dbraw/zinc/47/47/64/998474764.db2.gz UWRIMEIADCSWGS-QWQWYJDNSA-N 0 2 399.451 1.755 20 50 GDGDLN Cn1c(=O)c2ccc(C(=O)NNc3ccc(-c4nn[nH]n4)cc3)cc2[nH]c1=S ZINC000826355932 607347164 /nfs/dbraw/zinc/34/71/64/607347164.db2.gz TYNAGPGSGFIEGV-UHFFFAOYSA-N 0 2 394.420 1.159 20 50 GDGDLN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000826449068 607464136 /nfs/dbraw/zinc/46/41/36/607464136.db2.gz ZYLOFNLBZLOCBQ-UHFFFAOYSA-N 0 2 380.393 1.561 20 50 GDGDLN CCN(CC1CC[NH+](CC(=O)NNC(=O)c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000827093443 603539897 /nfs/dbraw/zinc/53/98/97/603539897.db2.gz PCQWOIQXPFLKNB-UHFFFAOYSA-N 0 2 380.420 1.299 20 50 GDGDLN C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000825848910 608571780 /nfs/dbraw/zinc/57/17/80/608571780.db2.gz HKOYAQPEDRZCJK-ZDUSSCGKSA-N 0 2 386.847 1.531 20 50 GDGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(N2CCCC2)nc1 ZINC000826446060 608572815 /nfs/dbraw/zinc/57/28/15/608572815.db2.gz YDAHIXUSAAPCBL-UHFFFAOYSA-N 0 2 385.819 1.667 20 50 GDGDLN CCC(=O)N[C@H](CCSC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825034226 608573296 /nfs/dbraw/zinc/57/32/96/608573296.db2.gz GRZRRJJPFWMYIL-SECBINFHSA-N 0 2 398.880 1.006 20 50 GDGDLN C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)NC(=O)C1CCCC1 ZINC000824384846 608578046 /nfs/dbraw/zinc/57/80/46/608578046.db2.gz IDXAQKKEDJFJAQ-SECBINFHSA-N 0 2 392.851 1.443 20 50 GDGDLN Cc1ccc(-c2nc(C(=O)NNC(=O)c3cccc(-c4nn[nH]n4)c3)cs2)o1 ZINC000737286876 945030911 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C[C@@H](Oc1ccccc1C#N)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824755848 608575433 /nfs/dbraw/zinc/57/54/33/608575433.db2.gz MEQRHZDFDCOUJY-SECBINFHSA-N 0 2 384.787 1.697 20 50 GDGDLN CC(=O)N[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCCC1 ZINC000823989195 608626058 /nfs/dbraw/zinc/62/60/58/608626058.db2.gz PMLOJLDOBUFYBN-CYBMUJFWSA-N 0 2 378.824 1.053 20 50 GDGDLN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824772592 608627010 /nfs/dbraw/zinc/62/70/10/608627010.db2.gz VJRIZUYTQLJJLZ-BMLIUANNSA-N 0 2 387.831 1.913 20 50 GDGDLN COCCOc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)ccn1 ZINC000826160802 609261258 /nfs/dbraw/zinc/26/12/58/609261258.db2.gz HIUMLFWCZXJFRW-UHFFFAOYSA-N 0 2 390.791 1.092 20 50 GDGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000736401371 978330076 /nfs/dbraw/zinc/33/00/76/978330076.db2.gz HWGUWYJSANTNTI-LSDHHAIUSA-N 0 2 390.484 1.477 20 50 GDGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C 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