smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000327032505 1038813120 /nfs/dbraw/zinc/81/31/20/1038813120.db2.gz VFHGBZCQTNDKJK-LJQANCHMSA-N 1 3 324.468 4.011 20 10 DICDHO CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808700152 1041008049 /nfs/dbraw/zinc/00/80/49/1041008049.db2.gz UQAFADLFZSBZMN-AWEZNQCLSA-N 1 3 324.896 4.127 20 10 DICDHO CC[C@H](NCCC[NH+](C(C)C)C(C)C)c1ccc(C)cc1O ZINC000794804904 1043049379 /nfs/dbraw/zinc/04/93/79/1043049379.db2.gz WCQFDLSUJXKMCG-SFHVURJKSA-N 1 3 306.494 4.250 20 10 DICDHO CC[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000866517612 1043217341 /nfs/dbraw/zinc/21/73/41/1043217341.db2.gz JYLJOWWENCSINX-RMXPPQQLSA-N 1 3 304.478 4.004 20 10 DICDHO CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000866517613 1043217369 /nfs/dbraw/zinc/21/73/69/1043217369.db2.gz JYLJOWWENCSINX-URSIVYNOSA-N 1 3 304.478 4.004 20 10 DICDHO Cc1ccc([C@@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1C ZINC000756626297 1046111823 /nfs/dbraw/zinc/11/18/23/1046111823.db2.gz CALYFQVTMPOLSV-QGZVFWFLSA-N 1 3 306.494 4.169 20 10 DICDHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000783508828 1046602674 /nfs/dbraw/zinc/60/26/74/1046602674.db2.gz NVTHHODIZBUYNZ-QGZVFWFLSA-N 1 3 304.478 4.089 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794796386 1049697404 /nfs/dbraw/zinc/69/74/04/1049697404.db2.gz KCRWNPUYXYLEDO-HKUYNNGSSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794796386 1049697410 /nfs/dbraw/zinc/69/74/10/1049697410.db2.gz KCRWNPUYXYLEDO-HKUYNNGSSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000155171462 1052914286 /nfs/dbraw/zinc/91/42/86/1052914286.db2.gz PWHTXADNDCHHFZ-FUHWJXTLSA-N 1 3 304.478 4.088 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000155171462 1052914293 /nfs/dbraw/zinc/91/42/93/1052914293.db2.gz PWHTXADNDCHHFZ-FUHWJXTLSA-N 1 3 304.478 4.088 20 10 DICDHO Cc1ccc([O-])c(C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236567534 1055188450 /nfs/dbraw/zinc/18/84/50/1055188450.db2.gz ODFWRQWQVKHFSQ-UAPYVXQJSA-N 1 3 316.489 4.105 20 10 DICDHO Cc1ccc([O-])c(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001236567534 1055188457 /nfs/dbraw/zinc/18/84/57/1055188457.db2.gz ODFWRQWQVKHFSQ-UAPYVXQJSA-N 1 3 316.489 4.105 20 10 DICDHO Cc1ccc(C)c(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236570869 1055191025 /nfs/dbraw/zinc/19/10/25/1055191025.db2.gz CXBKOZQMLDXFFV-SAABIXHNSA-N 1 3 316.489 4.024 20 10 DICDHO Cc1ccc(C)c(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236570869 1055191033 /nfs/dbraw/zinc/19/10/33/1055191033.db2.gz CXBKOZQMLDXFFV-SAABIXHNSA-N 1 3 316.489 4.024 20 10 DICDHO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765449322 1055391876 /nfs/dbraw/zinc/39/18/76/1055391876.db2.gz IYPPRVJDSAGSHC-ROUUACIJSA-N 1 3 317.521 4.058 20 10 DICDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297750770 132032046 /nfs/dbraw/zinc/03/20/46/132032046.db2.gz OIXXEONQRXKKHN-IBGZPJMESA-N 1 3 324.468 4.010 20 10 DICDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000297750770 132032047 /nfs/dbraw/zinc/03/20/47/132032047.db2.gz OIXXEONQRXKKHN-IBGZPJMESA-N 1 3 324.468 4.010 20 10 DICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1[O-] ZINC000817962128 1042132536 /nfs/dbraw/zinc/13/25/36/1042132536.db2.gz GJIUPMIZGHLZAS-QWHCGFSZSA-N 1 3 318.848 4.225 20 10 DICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183429130 1043164303 /nfs/dbraw/zinc/16/43/03/1043164303.db2.gz ZIFGIDPHVLXYCG-MRXNPFEDSA-N 1 3 312.457 4.085 20 10 DICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000295784932 1044559830 /nfs/dbraw/zinc/55/98/30/1044559830.db2.gz BCSNPPFFIRQPOV-IBGZPJMESA-N 1 3 324.468 4.011 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC000756641864 1046116110 /nfs/dbraw/zinc/11/61/10/1046116110.db2.gz JCTKJRIPUQIQND-WWDZGPRUSA-N 1 3 316.489 4.148 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC000756641860 1046116369 /nfs/dbraw/zinc/11/63/69/1046116369.db2.gz JCTKJRIPUQIQND-AOCRQIFASA-N 1 3 316.489 4.148 20 10 DICDHO CC[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)ccc1O ZINC000775498220 1049032081 /nfs/dbraw/zinc/03/20/81/1049032081.db2.gz YTIXCXIMSJJQMM-KRWDZBQOSA-N 1 3 322.880 4.103 20 10 DICDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001337801639 1054287959 /nfs/dbraw/zinc/28/79/59/1054287959.db2.gz VHJDEHQKIYNNDU-BRWVUGGUSA-N 1 3 316.489 4.103 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000185033954 1054337471 /nfs/dbraw/zinc/33/74/71/1054337471.db2.gz AZWXHTWBSAPQFV-DLBZAZTESA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000185033954 1054337486 /nfs/dbraw/zinc/33/74/86/1054337486.db2.gz AZWXHTWBSAPQFV-DLBZAZTESA-N 1 3 304.478 4.006 20 10 DICDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297750775 132031993 /nfs/dbraw/zinc/03/19/93/132031993.db2.gz OIXXEONQRXKKHN-LJQANCHMSA-N 1 3 324.468 4.010 20 10 DICDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000297750775 132031995 /nfs/dbraw/zinc/03/19/95/132031995.db2.gz OIXXEONQRXKKHN-LJQANCHMSA-N 1 3 324.468 4.010 20 10 DICDHO CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1[O-] ZINC000155004178 1036092620 /nfs/dbraw/zinc/09/26/20/1036092620.db2.gz SJNWOHKQTNZYKA-HXUWFJFHSA-N 1 3 324.468 4.229 20 10 DICDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183459915 1043164336 /nfs/dbraw/zinc/16/43/36/1043164336.db2.gz QDKMODBSURRVOE-MRXNPFEDSA-N 1 3 312.457 4.083 20 10 DICDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183459915 1043164344 /nfs/dbraw/zinc/16/43/44/1043164344.db2.gz QDKMODBSURRVOE-MRXNPFEDSA-N 1 3 312.457 4.083 20 10 DICDHO CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1[O-] ZINC000121087273 1043211800 /nfs/dbraw/zinc/21/18/00/1043211800.db2.gz RVMRGKUQLUCARB-GOSISDBHSA-N 1 3 304.478 4.089 20 10 DICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296135571 1044594823 /nfs/dbraw/zinc/59/48/23/1044594823.db2.gz WADLWNXAJCNEMN-LJQANCHMSA-N 1 3 324.468 4.010 20 10 DICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296135571 1044594838 /nfs/dbraw/zinc/59/48/38/1044594838.db2.gz WADLWNXAJCNEMN-LJQANCHMSA-N 1 3 324.468 4.010 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c([O-])c1 ZINC000756640385 1046114374 /nfs/dbraw/zinc/11/43/74/1046114374.db2.gz AMKMMYROHREJKP-KRWDZBQOSA-N 1 3 318.505 4.109 20 10 DICDHO CC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000089512998 1046286797 /nfs/dbraw/zinc/28/67/97/1046286797.db2.gz FSHQDUFCLXQRMP-IBGZPJMESA-N 1 3 317.521 4.056 20 10 DICDHO CC[C@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000089512998 1046286812 /nfs/dbraw/zinc/28/68/12/1046286812.db2.gz FSHQDUFCLXQRMP-IBGZPJMESA-N 1 3 317.521 4.056 20 10 DICDHO CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccccc1[O-] ZINC000775487109 1049003689 /nfs/dbraw/zinc/00/36/89/1049003689.db2.gz ICWFLPWZODDGFE-LMMKCTJWSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799102 1049696591 /nfs/dbraw/zinc/69/65/91/1049696591.db2.gz YMCMUIMMRYCQGH-IEBWSBKVSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799102 1049696598 /nfs/dbraw/zinc/69/65/98/1049696598.db2.gz YMCMUIMMRYCQGH-IEBWSBKVSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C)cc1[O-] ZINC000794793728 1049697983 /nfs/dbraw/zinc/69/79/83/1049697983.db2.gz BKXPGNBQEANABE-LJQANCHMSA-N 1 3 318.505 4.253 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000185033976 1054337177 /nfs/dbraw/zinc/33/71/77/1054337177.db2.gz AZWXHTWBSAPQFV-IRXDYDNUSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC000185033976 1054337185 /nfs/dbraw/zinc/33/71/85/1054337185.db2.gz AZWXHTWBSAPQFV-IRXDYDNUSA-N 1 3 304.478 4.006 20 10 DICDHO CC[NH+]1CCC(CC[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC1 ZINC000808700153 1041007662 /nfs/dbraw/zinc/00/76/62/1041007662.db2.gz UQAFADLFZSBZMN-CQSZACIVSA-N 1 3 324.896 4.127 20 10 DICDHO CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C)cc1[O-] ZINC000815647301 1041984617 /nfs/dbraw/zinc/98/46/17/1041984617.db2.gz FVCWHUVXVWGTBB-GOSISDBHSA-N 1 3 304.478 4.007 20 10 DICDHO C[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955315 1042131533 /nfs/dbraw/zinc/13/15/33/1042131533.db2.gz VOFSAURISWUSDN-UTKZUKDTSA-N 1 3 323.484 4.028 20 10 DICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1[O-] ZINC000817962126 1042132577 /nfs/dbraw/zinc/13/25/77/1042132577.db2.gz GJIUPMIZGHLZAS-CHWSQXEVSA-N 1 3 318.848 4.225 20 10 DICDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1[O-] ZINC000817962127 1042132825 /nfs/dbraw/zinc/13/28/25/1042132825.db2.gz GJIUPMIZGHLZAS-OLZOCXBDSA-N 1 3 318.848 4.225 20 10 DICDHO CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1[O-] ZINC000817983487 1042135862 /nfs/dbraw/zinc/13/58/62/1042135862.db2.gz MWKHEHCPDXEYPG-RTBURBONSA-N 1 3 312.457 4.222 20 10 DICDHO C[N@H+](CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000835061670 1046753008 /nfs/dbraw/zinc/75/30/08/1046753008.db2.gz IUKBLJQFRGQZBY-UHFFFAOYSA-N 1 3 324.468 4.023 20 10 DICDHO C[N@@H+](CCCC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C1CC1 ZINC000835061670 1046753020 /nfs/dbraw/zinc/75/30/20/1046753020.db2.gz IUKBLJQFRGQZBY-UHFFFAOYSA-N 1 3 324.468 4.023 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000775487113 1049004303 /nfs/dbraw/zinc/00/43/03/1049004303.db2.gz ICWFLPWZODDGFE-ZIFCJYIRSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000775487113 1049004314 /nfs/dbraw/zinc/00/43/14/1049004314.db2.gz ICWFLPWZODDGFE-ZIFCJYIRSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799101 1049696860 /nfs/dbraw/zinc/69/68/60/1049696860.db2.gz YMCMUIMMRYCQGH-HKUYNNGSSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799101 1049696864 /nfs/dbraw/zinc/69/68/64/1049696864.db2.gz YMCMUIMMRYCQGH-HKUYNNGSSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(C)cc1[O-] ZINC000794793727 1049698797 /nfs/dbraw/zinc/69/87/97/1049698797.db2.gz BKXPGNBQEANABE-IBGZPJMESA-N 1 3 318.505 4.253 20 10 DICDHO Cc1cccc(C[N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236566787 1055188180 /nfs/dbraw/zinc/18/81/80/1055188180.db2.gz GAZVVWGOYCWTLJ-UAPYVXQJSA-N 1 3 316.489 4.105 20 10 DICDHO Cc1cccc(C[N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236566787 1055188183 /nfs/dbraw/zinc/18/81/83/1055188183.db2.gz GAZVVWGOYCWTLJ-UAPYVXQJSA-N 1 3 316.489 4.105 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c([O-])c1 ZINC000184901363 525733289 /nfs/dbraw/zinc/73/32/89/525733289.db2.gz VXNFFVPMVSMQSW-QGZVFWFLSA-N 1 3 324.468 4.147 20 10 DICDHO CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1[O-] ZINC000121087119 1043212134 /nfs/dbraw/zinc/21/21/34/1043212134.db2.gz RVMRGKUQLUCARB-SFHVURJKSA-N 1 3 304.478 4.089 20 10 DICDHO Cc1cc(C)c([C@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC000927036950 1043669980 /nfs/dbraw/zinc/66/99/80/1043669980.db2.gz KWELFIZXFCWAGZ-VXESANQCSA-N 1 3 316.489 4.067 20 10 DICDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756343612 1046067000 /nfs/dbraw/zinc/06/70/00/1046067000.db2.gz ZFKIRBLBWKCWJZ-YCPHGPKFSA-N 1 3 322.468 4.180 20 10 DICDHO Cc1ccc([C@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1C ZINC000756626296 1046111849 /nfs/dbraw/zinc/11/18/49/1046111849.db2.gz CALYFQVTMPOLSV-KRWDZBQOSA-N 1 3 306.494 4.169 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799106 1049697083 /nfs/dbraw/zinc/69/70/83/1049697083.db2.gz YMCMUIMMRYCQGH-PKOBYXMFSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799106 1049697087 /nfs/dbraw/zinc/69/70/87/1049697087.db2.gz YMCMUIMMRYCQGH-PKOBYXMFSA-N 1 3 318.505 4.253 20 10 DICDHO Cc1cc(C)c([C@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000788610885 1050704842 /nfs/dbraw/zinc/70/48/42/1050704842.db2.gz MSANYQMKJFILTG-KRWDZBQOSA-N 1 3 306.494 4.169 20 10 DICDHO CC[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000764636053 1055225638 /nfs/dbraw/zinc/22/56/38/1055225638.db2.gz QLUOBMFSPFGBHA-GOSISDBHSA-N 1 3 317.521 4.103 20 10 DICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000192926965 336284577 /nfs/dbraw/zinc/28/45/77/336284577.db2.gz VGPHBEDNRZGSIE-INIZCTEOSA-N 1 3 312.457 4.085 20 10 DICDHO CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000327032504 1038814824 /nfs/dbraw/zinc/81/48/24/1038814824.db2.gz VFHGBZCQTNDKJK-IBGZPJMESA-N 1 3 324.468 4.011 20 10 DICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183417149 1043163223 /nfs/dbraw/zinc/16/32/23/1043163223.db2.gz IPVOLBQOPVJSGE-INIZCTEOSA-N 1 3 312.457 4.083 20 10 DICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183417149 1043163227 /nfs/dbraw/zinc/16/32/27/1043163227.db2.gz IPVOLBQOPVJSGE-INIZCTEOSA-N 1 3 312.457 4.083 20 10 DICDHO CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1 ZINC000192938307 1044405216 /nfs/dbraw/zinc/40/52/16/1044405216.db2.gz GMSAGUGRJGMNEO-INIZCTEOSA-N 1 3 312.457 4.085 20 10 DICDHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cc(F)ccc1[O-] ZINC000756533427 1046096280 /nfs/dbraw/zinc/09/62/80/1046096280.db2.gz HKQFCSCKDZVXNW-INIZCTEOSA-N 1 3 322.468 4.228 20 10 DICDHO Cc1ccc([C@@H](C)NCCC[N@H+](C)C2CCCCC2)c(O)c1 ZINC000386885810 1047280901 /nfs/dbraw/zinc/28/09/01/1047280901.db2.gz GHOXBGZBJNRREQ-MRXNPFEDSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)c(O)c1 ZINC000386885810 1047280924 /nfs/dbraw/zinc/28/09/24/1047280924.db2.gz GHOXBGZBJNRREQ-MRXNPFEDSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc(O)c([C@@H](C)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000386888145 1047281245 /nfs/dbraw/zinc/28/12/45/1047281245.db2.gz GRQDKUYECRKACG-MRXNPFEDSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc(O)c([C@@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000386888145 1047281257 /nfs/dbraw/zinc/28/12/57/1047281257.db2.gz GRQDKUYECRKACG-MRXNPFEDSA-N 1 3 304.478 4.006 20 10 DICDHO CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1[O-] ZINC000775511450 1049055195 /nfs/dbraw/zinc/05/51/95/1049055195.db2.gz FSYPYFNNEMBMQX-FAFZWHIHSA-N 1 3 316.489 4.230 20 10 DICDHO CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccc(C)cc1[O-] ZINC000794796139 1049697351 /nfs/dbraw/zinc/69/73/51/1049697351.db2.gz SNAHEIVQOJNCNR-WMZOPIPTSA-N 1 3 306.494 4.252 20 10 DICDHO Cc1cc(C)c([C@@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000788610886 1050706662 /nfs/dbraw/zinc/70/66/62/1050706662.db2.gz MSANYQMKJFILTG-QGZVFWFLSA-N 1 3 306.494 4.169 20 10 DICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296183134 1054086179 /nfs/dbraw/zinc/08/61/79/1054086179.db2.gz YFZHWSKMQXGPDV-LJQANCHMSA-N 1 3 324.468 4.011 20 10 DICDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC[C@H](C)N1CCCCC1 ZINC001337801656 1054287453 /nfs/dbraw/zinc/28/74/53/1054287453.db2.gz VHJDEHQKIYNNDU-IXDOHACOSA-N 1 3 316.489 4.103 20 10 DICDHO Cc1cc(C)c(C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236779860 1055255557 /nfs/dbraw/zinc/25/55/57/1055255557.db2.gz LHXQPSWDXFCOJO-QAQDUYKDSA-N 1 3 318.505 4.127 20 10 DICDHO Cc1cc(C)c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236779860 1055255566 /nfs/dbraw/zinc/25/55/66/1055255566.db2.gz LHXQPSWDXFCOJO-QAQDUYKDSA-N 1 3 318.505 4.127 20 10 DICDHO CCC(CC)[N@H+](Cc1c(C)ccc(C)c1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783082 1055257797 /nfs/dbraw/zinc/25/77/97/1055257797.db2.gz YXASUCHAHDGHMR-SAABIXHNSA-N 1 3 318.505 4.270 20 10 DICDHO CCC(CC)[N@@H+](Cc1c(C)ccc(C)c1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236783082 1055257810 /nfs/dbraw/zinc/25/78/10/1055257810.db2.gz YXASUCHAHDGHMR-SAABIXHNSA-N 1 3 318.505 4.270 20 10 DICDHO CCC(CC)[N@H+](Cc1c(C)cc(C)cc1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790936 1055263958 /nfs/dbraw/zinc/26/39/58/1055263958.db2.gz NDLIVLAOZZGDNV-SAABIXHNSA-N 1 3 318.505 4.270 20 10 DICDHO CCC(CC)[N@@H+](Cc1c(C)cc(C)cc1[O-])[C@H]1CC[C@H]([NH3+])CC1 ZINC001236790936 1055263966 /nfs/dbraw/zinc/26/39/66/1055263966.db2.gz NDLIVLAOZZGDNV-SAABIXHNSA-N 1 3 318.505 4.270 20 10 DICDHO CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001237054272 1055354459 /nfs/dbraw/zinc/35/44/59/1055354459.db2.gz UKKOZMKOPUCJBD-UHFFFAOYSA-N 1 3 318.505 4.068 20 10 DICDHO CC(C)c1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001237054272 1055354464 /nfs/dbraw/zinc/35/44/64/1055354464.db2.gz UKKOZMKOPUCJBD-UHFFFAOYSA-N 1 3 318.505 4.068 20 10 DICDHO Cc1ccc(O)c([C@H](C)NCCC[N@H+](C)C2CCCCC2)c1 ZINC000386888143 1055536102 /nfs/dbraw/zinc/53/61/02/1055536102.db2.gz GRQDKUYECRKACG-INIZCTEOSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc(O)c([C@H](C)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000386888143 1055536112 /nfs/dbraw/zinc/53/61/12/1055536112.db2.gz GRQDKUYECRKACG-INIZCTEOSA-N 1 3 304.478 4.006 20 10 DICDHO CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccccc1[O-] ZINC000155673080 522654238 /nfs/dbraw/zinc/65/42/38/522654238.db2.gz HMJQYYSEBIZYPV-IBGZPJMESA-N 1 3 312.457 4.085 20 10 DICDHO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1[O-] ZINC000155673080 522654245 /nfs/dbraw/zinc/65/42/45/522654245.db2.gz HMJQYYSEBIZYPV-IBGZPJMESA-N 1 3 312.457 4.085 20 10 DICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccccc1[O-] ZINC000155673192 522881998 /nfs/dbraw/zinc/88/19/98/522881998.db2.gz HMJQYYSEBIZYPV-LJQANCHMSA-N 1 3 312.457 4.085 20 10 DICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccccc1[O-] ZINC000155673192 522882008 /nfs/dbraw/zinc/88/20/08/522882008.db2.gz HMJQYYSEBIZYPV-LJQANCHMSA-N 1 3 312.457 4.085 20 10 DICDHO CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccc(C)cc1[O-] ZINC000815647302 1041984580 /nfs/dbraw/zinc/98/45/80/1041984580.db2.gz FVCWHUVXVWGTBB-SFHVURJKSA-N 1 3 304.478 4.007 20 10 DICDHO C[NH+](C)C1CCC([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000817416197 1042108815 /nfs/dbraw/zinc/10/88/15/1042108815.db2.gz PUZJYINTEDHZLE-UHFFFAOYSA-N 1 3 324.468 4.022 20 10 DICDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1[O-] ZINC000817962129 1042132881 /nfs/dbraw/zinc/13/28/81/1042132881.db2.gz GJIUPMIZGHLZAS-STQMWFEESA-N 1 3 318.848 4.225 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c([O-])c1 ZINC000184901377 1043190296 /nfs/dbraw/zinc/19/02/96/1043190296.db2.gz VXNFFVPMVSMQSW-KRWDZBQOSA-N 1 3 324.468 4.147 20 10 DICDHO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1[O-] ZINC000879650369 1043978433 /nfs/dbraw/zinc/97/84/33/1043978433.db2.gz XFBFJQSEYCWTMZ-KRWDZBQOSA-N 1 3 324.468 4.229 20 10 DICDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756343609 1046067476 /nfs/dbraw/zinc/06/74/76/1046067476.db2.gz ZFKIRBLBWKCWJZ-OFQRWUPVSA-N 1 3 322.468 4.180 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000756422894 1046078691 /nfs/dbraw/zinc/07/86/91/1046078691.db2.gz PZVRMQDGHNSJLO-KSZLIROESA-N 1 3 318.505 4.109 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000756422894 1046078700 /nfs/dbraw/zinc/07/87/00/1046078700.db2.gz PZVRMQDGHNSJLO-KSZLIROESA-N 1 3 318.505 4.109 20 10 DICDHO CCCC[NH+]1CCC(N[C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000765435670 1055389364 /nfs/dbraw/zinc/38/93/64/1055389364.db2.gz AMIITRPZMPHKGG-HXUWFJFHSA-N 1 3 317.521 4.058 20 10 DICDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000815647190 1041983988 /nfs/dbraw/zinc/98/39/88/1041983988.db2.gz BPHJCPJVNKGOMH-HNNXBMFYSA-N 1 3 324.896 4.271 20 10 DICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c1[O-] ZINC000815647191 1041984628 /nfs/dbraw/zinc/98/46/28/1041984628.db2.gz BPHJCPJVNKGOMH-OAHLLOKOSA-N 1 3 324.896 4.271 20 10 DICDHO C[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955313 1042131671 /nfs/dbraw/zinc/13/16/71/1042131671.db2.gz VOFSAURISWUSDN-DYESRHJHSA-N 1 3 323.484 4.028 20 10 DICDHO CC[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C)cc1[O-] ZINC000794807833 1043058329 /nfs/dbraw/zinc/05/83/29/1043058329.db2.gz LXXVGGDJZULFJR-LJQANCHMSA-N 1 3 318.505 4.398 20 10 DICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183429114 1043165491 /nfs/dbraw/zinc/16/54/91/1043165491.db2.gz ZIFGIDPHVLXYCG-INIZCTEOSA-N 1 3 312.457 4.085 20 10 DICDHO C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1[O-] ZINC000879649599 1043978904 /nfs/dbraw/zinc/97/89/04/1043978904.db2.gz XFBFJQSEYCWTMZ-QGZVFWFLSA-N 1 3 324.468 4.229 20 10 DICDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756343604 1046066499 /nfs/dbraw/zinc/06/64/99/1046066499.db2.gz ZFKIRBLBWKCWJZ-IJEWVQPXSA-N 1 3 322.468 4.180 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([O-])c1 ZINC000756422895 1046078347 /nfs/dbraw/zinc/07/83/47/1046078347.db2.gz PZVRMQDGHNSJLO-KURKYZTESA-N 1 3 318.505 4.109 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000756422893 1046079667 /nfs/dbraw/zinc/07/96/67/1046079667.db2.gz PZVRMQDGHNSJLO-FGTMMUONSA-N 1 3 318.505 4.109 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c([O-])c1 ZINC000756422893 1046079682 /nfs/dbraw/zinc/07/96/82/1046079682.db2.gz PZVRMQDGHNSJLO-FGTMMUONSA-N 1 3 318.505 4.109 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c([O-])c1 ZINC000185442953 1054546890 /nfs/dbraw/zinc/54/68/90/1054546890.db2.gz QZSVNQIRWCWSIE-QGZVFWFLSA-N 1 3 304.478 4.007 20 10 DICDHO C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1[O-] ZINC001615932857 1056599162 /nfs/dbraw/zinc/59/91/62/1056599162.db2.gz YPJCKOFMRYAGMQ-UHFFFAOYSA-N 1 3 324.468 4.010 20 10 DICDHO C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccc1[O-] ZINC001615932857 1056599178 /nfs/dbraw/zinc/59/91/78/1056599178.db2.gz YPJCKOFMRYAGMQ-UHFFFAOYSA-N 1 3 324.468 4.010 20 10 DICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000192926980 336284497 /nfs/dbraw/zinc/28/44/97/336284497.db2.gz VGPHBEDNRZGSIE-MRXNPFEDSA-N 1 3 312.457 4.085 20 10 DICDHO CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1[O-] ZINC000817983485 1042136446 /nfs/dbraw/zinc/13/64/46/1042136446.db2.gz MWKHEHCPDXEYPG-RBUKOAKNSA-N 1 3 312.457 4.222 20 10 DICDHO CC[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(C)cc1[O-] ZINC000794807832 1043057504 /nfs/dbraw/zinc/05/75/04/1043057504.db2.gz LXXVGGDJZULFJR-IBGZPJMESA-N 1 3 318.505 4.398 20 10 DICDHO C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1cc(F)ccc1[O-] ZINC000756533429 1046096685 /nfs/dbraw/zinc/09/66/85/1046096685.db2.gz HKQFCSCKDZVXNW-MRXNPFEDSA-N 1 3 322.468 4.228 20 10 DICDHO Cc1ccc([C@H](C)NCCC[N@H+](C)C2CCCCC2)c(O)c1 ZINC000386885803 1047280036 /nfs/dbraw/zinc/28/00/36/1047280036.db2.gz GHOXBGZBJNRREQ-INIZCTEOSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@H](C)NCCC[N@@H+](C)C2CCCCC2)c(O)c1 ZINC000386885803 1047280051 /nfs/dbraw/zinc/28/00/51/1047280051.db2.gz GHOXBGZBJNRREQ-INIZCTEOSA-N 1 3 304.478 4.006 20 10 DICDHO CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccc(C)cc1[O-] ZINC000794796138 1049696325 /nfs/dbraw/zinc/69/63/25/1049696325.db2.gz SNAHEIVQOJNCNR-SJLPKXTDSA-N 1 3 306.494 4.252 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000155171353 1052914100 /nfs/dbraw/zinc/91/41/00/1052914100.db2.gz PWHTXADNDCHHFZ-WMZOPIPTSA-N 1 3 304.478 4.088 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000155171353 1052914105 /nfs/dbraw/zinc/91/41/05/1052914105.db2.gz PWHTXADNDCHHFZ-WMZOPIPTSA-N 1 3 304.478 4.088 20 10 DICDHO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(N2CCCCCC2)cc1 ZINC000765449323 1055392297 /nfs/dbraw/zinc/39/22/97/1055392297.db2.gz IYPPRVJDSAGSHC-ZWKOTPCHSA-N 1 3 317.521 4.058 20 10 DICDHO CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[O-] ZINC000154955365 1036073710 /nfs/dbraw/zinc/07/37/10/1036073710.db2.gz ISSICHCXZUQFRU-FQEVSTJZSA-N 1 3 324.468 4.229 20 10 DICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183417168 1043163093 /nfs/dbraw/zinc/16/30/93/1043163093.db2.gz IPVOLBQOPVJSGE-MRXNPFEDSA-N 1 3 312.457 4.083 20 10 DICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183417168 1043163097 /nfs/dbraw/zinc/16/30/97/1043163097.db2.gz IPVOLBQOPVJSGE-MRXNPFEDSA-N 1 3 312.457 4.083 20 10 DICDHO C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1[O-] ZINC000183627789 1043167996 /nfs/dbraw/zinc/16/79/96/1043167996.db2.gz XFBQQEQZJDSUDO-WWDZGPRUSA-N 1 3 316.489 4.086 20 10 DICDHO C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1[O-] ZINC000183627775 1043168683 /nfs/dbraw/zinc/16/86/83/1043168683.db2.gz XFBQQEQZJDSUDO-AOCRQIFASA-N 1 3 316.489 4.086 20 10 DICDHO CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])cc1 ZINC000192938318 1044404495 /nfs/dbraw/zinc/40/44/95/1044404495.db2.gz GMSAGUGRJGMNEO-MRXNPFEDSA-N 1 3 312.457 4.085 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCCCCC[NH+]2CCCC2)c([O-])c1 ZINC000756531991 1046095941 /nfs/dbraw/zinc/09/59/41/1046095941.db2.gz CISFMLMJCCIHBW-SFHVURJKSA-N 1 3 318.505 4.398 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000775487111 1049004068 /nfs/dbraw/zinc/00/40/68/1049004068.db2.gz ICWFLPWZODDGFE-SCTDSRPQSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000775487111 1049004082 /nfs/dbraw/zinc/00/40/82/1049004082.db2.gz ICWFLPWZODDGFE-SCTDSRPQSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794796389 1049696064 /nfs/dbraw/zinc/69/60/64/1049696064.db2.gz KCRWNPUYXYLEDO-IEBWSBKVSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794796389 1049696066 /nfs/dbraw/zinc/69/60/66/1049696066.db2.gz KCRWNPUYXYLEDO-IEBWSBKVSA-N 1 3 318.505 4.396 20 10 DICDHO C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765449320 1055392182 /nfs/dbraw/zinc/39/21/82/1055392182.db2.gz IYPPRVJDSAGSHC-MSOLQXFVSA-N 1 3 317.521 4.058 20 10 DICDHO C[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955314 1042131602 /nfs/dbraw/zinc/13/16/02/1042131602.db2.gz VOFSAURISWUSDN-LAUBAEHRSA-N 1 3 323.484 4.028 20 10 DICDHO CCCN1CCC([NH2+][C@@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320042147 1042303500 /nfs/dbraw/zinc/30/35/00/1042303500.db2.gz QIPZFWCJTZKQFN-HNNXBMFYSA-N 1 3 312.457 4.070 20 10 DICDHO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1[O-] ZINC000783493003 1046600028 /nfs/dbraw/zinc/60/00/28/1046600028.db2.gz CKLNXJJEBGOSTA-QGZVFWFLSA-N 1 3 324.468 4.229 20 10 DICDHO CC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000089512999 1047409250 /nfs/dbraw/zinc/40/92/50/1047409250.db2.gz FSHQDUFCLXQRMP-LJQANCHMSA-N 1 3 317.521 4.056 20 10 DICDHO CC[C@@H](NC1CC[NH+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000089512999 1047409262 /nfs/dbraw/zinc/40/92/62/1047409262.db2.gz FSHQDUFCLXQRMP-LJQANCHMSA-N 1 3 317.521 4.056 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775488649 1049010878 /nfs/dbraw/zinc/01/08/78/1049010878.db2.gz PWHTXADNDCHHFZ-SJLPKXTDSA-N 1 3 304.478 4.088 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775488649 1049010891 /nfs/dbraw/zinc/01/08/91/1049010891.db2.gz PWHTXADNDCHHFZ-SJLPKXTDSA-N 1 3 304.478 4.088 20 10 DICDHO CC[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cc(Cl)ccc1O ZINC000775498222 1049031224 /nfs/dbraw/zinc/03/12/24/1049031224.db2.gz YTIXCXIMSJJQMM-QGZVFWFLSA-N 1 3 322.880 4.103 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799104 1049697326 /nfs/dbraw/zinc/69/73/26/1049697326.db2.gz YMCMUIMMRYCQGH-MJGOQNOKSA-N 1 3 318.505 4.253 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794799104 1049697329 /nfs/dbraw/zinc/69/73/29/1049697329.db2.gz YMCMUIMMRYCQGH-MJGOQNOKSA-N 1 3 318.505 4.253 20 10 DICDHO CC(C)[N@H+](Cc1cc(C(C)(C)C)ccc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC001206597983 1049765604 /nfs/dbraw/zinc/76/56/04/1049765604.db2.gz HCZRMSOYHOLJGX-GOSISDBHSA-N 1 3 318.505 4.042 20 10 DICDHO CC(C)[N@@H+](Cc1cc(C(C)(C)C)ccc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC001206597983 1049765610 /nfs/dbraw/zinc/76/56/10/1049765610.db2.gz HCZRMSOYHOLJGX-GOSISDBHSA-N 1 3 318.505 4.042 20 10 DICDHO Cc1cc(C)c(C[N@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236572100 1055192969 /nfs/dbraw/zinc/19/29/69/1055192969.db2.gz ROZXDWCQMURXOF-SAABIXHNSA-N 1 3 316.489 4.024 20 10 DICDHO Cc1cc(C)c(C[N@@H+](C2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c([O-])c1 ZINC001236572100 1055192976 /nfs/dbraw/zinc/19/29/76/1055192976.db2.gz ROZXDWCQMURXOF-SAABIXHNSA-N 1 3 316.489 4.024 20 10 DICDHO CC[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000764636054 1055226877 /nfs/dbraw/zinc/22/68/77/1055226877.db2.gz QLUOBMFSPFGBHA-SFHVURJKSA-N 1 3 317.521 4.103 20 10 DICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000295784934 1044559082 /nfs/dbraw/zinc/55/90/82/1044559082.db2.gz BCSNPPFFIRQPOV-LJQANCHMSA-N 1 3 324.468 4.011 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCCCCC[NH+]2CCCC2)c([O-])c1 ZINC000756531987 1046096595 /nfs/dbraw/zinc/09/65/95/1046096595.db2.gz CISFMLMJCCIHBW-GOSISDBHSA-N 1 3 318.505 4.398 20 10 DICDHO CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccccc1[O-] ZINC000775487110 1049003832 /nfs/dbraw/zinc/00/38/32/1049003832.db2.gz ICWFLPWZODDGFE-LNLFQRSKSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775488648 1049011293 /nfs/dbraw/zinc/01/12/93/1049011293.db2.gz PWHTXADNDCHHFZ-AEFFLSMTSA-N 1 3 304.478 4.088 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000775488648 1049011302 /nfs/dbraw/zinc/01/13/02/1049011302.db2.gz PWHTXADNDCHHFZ-AEFFLSMTSA-N 1 3 304.478 4.088 20 10 DICDHO C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000765449321 1055391248 /nfs/dbraw/zinc/39/12/48/1055391248.db2.gz IYPPRVJDSAGSHC-QZTJIDSGSA-N 1 3 317.521 4.058 20 10 DICDHO C[NH+](C)CCCNCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000725841735 1040545976 /nfs/dbraw/zinc/54/59/76/1040545976.db2.gz YTWIKIPRDAUTTF-UHFFFAOYSA-N 1 3 320.521 4.029 20 10 DICDHO CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1[O-] ZINC000817983480 1042136426 /nfs/dbraw/zinc/13/64/26/1042136426.db2.gz MWKHEHCPDXEYPG-OALUTQOASA-N 1 3 312.457 4.222 20 10 DICDHO CC[C@@H](NCCC[NH+](C(C)C)C(C)C)c1ccc(C)cc1O ZINC000794804902 1043049205 /nfs/dbraw/zinc/04/92/05/1043049205.db2.gz WCQFDLSUJXKMCG-GOSISDBHSA-N 1 3 306.494 4.250 20 10 DICDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183459893 1043165478 /nfs/dbraw/zinc/16/54/78/1043165478.db2.gz QDKMODBSURRVOE-INIZCTEOSA-N 1 3 312.457 4.083 20 10 DICDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183459893 1043165483 /nfs/dbraw/zinc/16/54/83/1043165483.db2.gz QDKMODBSURRVOE-INIZCTEOSA-N 1 3 312.457 4.083 20 10 DICDHO CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccccc1[O-] ZINC000775511453 1049055480 /nfs/dbraw/zinc/05/54/80/1049055480.db2.gz FSYPYFNNEMBMQX-TVPLGVNVSA-N 1 3 316.489 4.230 20 10 DICDHO CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)c1ccccc1[O-] ZINC000775512967 1049056531 /nfs/dbraw/zinc/05/65/31/1049056531.db2.gz UQXYEJTZHRYPHJ-LJQANCHMSA-N 1 3 318.505 4.191 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794796395 1049696300 /nfs/dbraw/zinc/69/63/00/1049696300.db2.gz KCRWNPUYXYLEDO-PKOBYXMFSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794796395 1049696308 /nfs/dbraw/zinc/69/63/08/1049696308.db2.gz KCRWNPUYXYLEDO-PKOBYXMFSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccc(C)cc1[O-] ZINC000794796137 1049697235 /nfs/dbraw/zinc/69/72/35/1049697235.db2.gz SNAHEIVQOJNCNR-FUHWJXTLSA-N 1 3 306.494 4.252 20 10 DICDHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCc2ccccc2O)CC1 ZINC000823752226 1050152840 /nfs/dbraw/zinc/15/28/40/1050152840.db2.gz DKHDDZZPGJSPIZ-UHFFFAOYSA-N 1 3 318.505 4.161 20 10 DICDHO C[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(N2CCCCC2)cc1 ZINC000817955316 1042131250 /nfs/dbraw/zinc/13/12/50/1042131250.db2.gz VOFSAURISWUSDN-UWJYYQICSA-N 1 3 323.484 4.028 20 10 DICDHO CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(C)cc1[O-] ZINC000817983478 1042136209 /nfs/dbraw/zinc/13/62/09/1042136209.db2.gz MWKHEHCPDXEYPG-MOPGFXCFSA-N 1 3 312.457 4.222 20 10 DICDHO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[O-] ZINC000183391219 1043162783 /nfs/dbraw/zinc/16/27/83/1043162783.db2.gz WLWLBMYKMCGEER-KRWDZBQOSA-N 1 3 324.468 4.229 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)c([O-])c1 ZINC000756640387 1046113718 /nfs/dbraw/zinc/11/37/18/1046113718.db2.gz AMKMMYROHREJKP-QGZVFWFLSA-N 1 3 318.505 4.109 20 10 DICDHO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccccc1[O-] ZINC000783493002 1046600781 /nfs/dbraw/zinc/60/07/81/1046600781.db2.gz CKLNXJJEBGOSTA-KRWDZBQOSA-N 1 3 324.468 4.229 20 10 DICDHO C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000783508827 1046602052 /nfs/dbraw/zinc/60/20/52/1046602052.db2.gz NVTHHODIZBUYNZ-KRWDZBQOSA-N 1 3 304.478 4.089 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000248481242 1046617221 /nfs/dbraw/zinc/61/72/21/1046617221.db2.gz AZWXHTWBSAPQFV-IAGOWNOFSA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000248481242 1046617227 /nfs/dbraw/zinc/61/72/27/1046617227.db2.gz AZWXHTWBSAPQFV-IAGOWNOFSA-N 1 3 304.478 4.006 20 10 DICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296183131 1054084906 /nfs/dbraw/zinc/08/49/06/1054084906.db2.gz YFZHWSKMQXGPDV-IBGZPJMESA-N 1 3 324.468 4.011 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCCC2)c([O-])c1 ZINC000185442971 1054545511 /nfs/dbraw/zinc/54/55/11/1054545511.db2.gz QZSVNQIRWCWSIE-KRWDZBQOSA-N 1 3 304.478 4.007 20 10 DICDHO Cc1ccc(C)c(C[N@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236767897 1055254942 /nfs/dbraw/zinc/25/49/42/1055254942.db2.gz QGOZKCFFNDCUGB-QAQDUYKDSA-N 1 3 318.505 4.127 20 10 DICDHO Cc1ccc(C)c(C[N@@H+](CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1[O-] ZINC001236767897 1055254952 /nfs/dbraw/zinc/25/49/52/1055254952.db2.gz QGOZKCFFNDCUGB-QAQDUYKDSA-N 1 3 318.505 4.127 20 10 DICDHO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[O-] ZINC000183391238 525520618 /nfs/dbraw/zinc/52/06/18/525520618.db2.gz WLWLBMYKMCGEER-QGZVFWFLSA-N 1 3 324.468 4.229 20 10 DICDHO CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1[O-] ZINC000154955473 1036071877 /nfs/dbraw/zinc/07/18/77/1036071877.db2.gz ISSICHCXZUQFRU-HXUWFJFHSA-N 1 3 324.468 4.229 20 10 DICDHO CCCN1CCC([NH2+][C@H](C)c2ccc3ccccc3c2O)CC1 ZINC000320042149 1042302843 /nfs/dbraw/zinc/30/28/43/1042302843.db2.gz QIPZFWCJTZKQFN-OAHLLOKOSA-N 1 3 312.457 4.070 20 10 DICDHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c([O-])c1 ZINC000927036953 1043669891 /nfs/dbraw/zinc/66/98/91/1043669891.db2.gz KWELFIZXFCWAGZ-ZRZPHAQCSA-N 1 3 316.489 4.067 20 10 DICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296135569 1044593236 /nfs/dbraw/zinc/59/32/36/1044593236.db2.gz WADLWNXAJCNEMN-IBGZPJMESA-N 1 3 324.468 4.010 20 10 DICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296135569 1044593248 /nfs/dbraw/zinc/59/32/48/1044593248.db2.gz WADLWNXAJCNEMN-IBGZPJMESA-N 1 3 324.468 4.010 20 10 DICDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756343571 1046067313 /nfs/dbraw/zinc/06/73/13/1046067313.db2.gz ZFKIRBLBWKCWJZ-DZKIICNBSA-N 1 3 322.468 4.180 20 10 DICDHO CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)c1ccccc1[O-] ZINC000775512966 1049058175 /nfs/dbraw/zinc/05/81/75/1049058175.db2.gz UQXYEJTZHRYPHJ-IBGZPJMESA-N 1 3 318.505 4.191 20 10 DICDHO C[C@H]([NH2+]C1CC(C)(C)N(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001171624770 1051178957 /nfs/dbraw/zinc/17/89/57/1051178957.db2.gz XAZVPEHLJZVMNG-HNNXBMFYSA-N 1 3 317.521 4.055 20 10 DICDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[C@H](C)N1CCCCC1 ZINC001337801647 1054287805 /nfs/dbraw/zinc/28/78/05/1054287805.db2.gz VHJDEHQKIYNNDU-IKGGRYGDSA-N 1 3 316.489 4.103 20 10 DICDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC[C@@H](C)N1CCCCC1 ZINC001337801659 1054288183 /nfs/dbraw/zinc/28/81/83/1054288183.db2.gz VHJDEHQKIYNNDU-ZACQAIPSSA-N 1 3 316.489 4.103 20 10 DICDHO CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccccc1[O-] ZINC000155004078 1036092523 /nfs/dbraw/zinc/09/25/23/1036092523.db2.gz SJNWOHKQTNZYKA-FQEVSTJZSA-N 1 3 324.468 4.229 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([O-])c1 ZINC000756422885 1046077769 /nfs/dbraw/zinc/07/77/69/1046077769.db2.gz PZVRMQDGHNSJLO-BZSNNMDCSA-N 1 3 318.505 4.109 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000248481243 1046617371 /nfs/dbraw/zinc/61/73/71/1046617371.db2.gz AZWXHTWBSAPQFV-SJORKVTESA-N 1 3 304.478 4.006 20 10 DICDHO Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC000248481243 1046617381 /nfs/dbraw/zinc/61/73/81/1046617381.db2.gz AZWXHTWBSAPQFV-SJORKVTESA-N 1 3 304.478 4.006 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794796392 1049695905 /nfs/dbraw/zinc/69/59/05/1049695905.db2.gz KCRWNPUYXYLEDO-MJGOQNOKSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794796392 1049695916 /nfs/dbraw/zinc/69/59/16/1049695916.db2.gz KCRWNPUYXYLEDO-MJGOQNOKSA-N 1 3 318.505 4.396 20 10 DICDHO CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccc(C)cc1[O-] ZINC000794796136 1049697262 /nfs/dbraw/zinc/69/72/62/1049697262.db2.gz SNAHEIVQOJNCNR-AEFFLSMTSA-N 1 3 306.494 4.252 20 10 DICDHO CC(C)[N@H+](Cc1cc(C(C)(C)C)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206597984 1049765637 /nfs/dbraw/zinc/76/56/37/1049765637.db2.gz HCZRMSOYHOLJGX-SFHVURJKSA-N 1 3 318.505 4.042 20 10 DICDHO CC(C)[N@@H+](Cc1cc(C(C)(C)C)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC001206597984 1049765647 /nfs/dbraw/zinc/76/56/47/1049765647.db2.gz HCZRMSOYHOLJGX-SFHVURJKSA-N 1 3 318.505 4.042 20 10 DICDHO CCCC[NH+]1CCC(N[C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000765435668 1055388546 /nfs/dbraw/zinc/38/85/46/1055388546.db2.gz AMIITRPZMPHKGG-FQEVSTJZSA-N 1 3 317.521 4.058 20 10 DICDHO CCc1cccc(CNC(C)(C)CC[NH+]2CCCCCC2)c1O ZINC001560771575 1060637273 /nfs/dbraw/zinc/63/72/73/1060637273.db2.gz ADCJPMBJGBNMEH-UHFFFAOYSA-N 1 3 318.505 4.089 20 10 DICDHO