smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(OCC)ccc3[nH]c2=O)cc1 ZINC000000879385 551555499 /nfs/dbraw/zinc/55/54/99/551555499.db2.gz DLVBEBJNIZQNMW-UHFFFAOYSA-N 1 2 510.660 3.857 40 0 KHABLO COc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)c(=O)[nH]c2cc1OC ZINC000000895448 551563759 /nfs/dbraw/zinc/56/37/59/551563759.db2.gz AVDXHUURDGFBBF-UHFFFAOYSA-N 1 2 510.660 3.693 40 0 KHABLO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000000895482 551563753 /nfs/dbraw/zinc/56/37/53/551563753.db2.gz DANHWSBJDOGHID-UHFFFAOYSA-N 1 2 510.660 3.639 40 0 KHABLO COc1ccc2cc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 ZINC000000927500 551580209 /nfs/dbraw/zinc/58/02/09/551580209.db2.gz KPENPTDMLBZCLA-UHFFFAOYSA-N 1 2 506.607 3.540 40 0 KHABLO COc1ccc2cc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2c1 ZINC000000927500 551580208 /nfs/dbraw/zinc/58/02/08/551580208.db2.gz KPENPTDMLBZCLA-UHFFFAOYSA-N 1 2 506.607 3.540 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927520 551580299 /nfs/dbraw/zinc/58/02/99/551580299.db2.gz JAHRCOYFDKHIPO-UHFFFAOYSA-N 1 2 520.634 3.930 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927520 551580297 /nfs/dbraw/zinc/58/02/97/551580297.db2.gz JAHRCOYFDKHIPO-UHFFFAOYSA-N 1 2 520.634 3.930 40 0 KHABLO COc1ccc2cc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 ZINC000000927543 551580224 /nfs/dbraw/zinc/58/02/24/551580224.db2.gz IVZCXLBVXQSAFK-UHFFFAOYSA-N 1 2 518.618 3.900 40 0 KHABLO COc1ccc2cc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 ZINC000000927543 551580221 /nfs/dbraw/zinc/58/02/21/551580221.db2.gz IVZCXLBVXQSAFK-UHFFFAOYSA-N 1 2 518.618 3.900 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000927656 551580180 /nfs/dbraw/zinc/58/01/80/551580180.db2.gz MPHZZQCYCZHWEW-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 ZINC000000927656 551580178 /nfs/dbraw/zinc/58/01/78/551580178.db2.gz MPHZZQCYCZHWEW-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000927704 551580280 /nfs/dbraw/zinc/58/02/80/551580280.db2.gz MRIDURYEJCMZMU-UHFFFAOYSA-N 1 2 506.607 3.540 40 0 KHABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000927704 551580278 /nfs/dbraw/zinc/58/02/78/551580278.db2.gz MRIDURYEJCMZMU-UHFFFAOYSA-N 1 2 506.607 3.540 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927728 551580248 /nfs/dbraw/zinc/58/02/48/551580248.db2.gz MONBBAOLXLGFGA-UHFFFAOYSA-N 1 2 520.634 3.930 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927728 551580246 /nfs/dbraw/zinc/58/02/46/551580246.db2.gz MONBBAOLXLGFGA-UHFFFAOYSA-N 1 2 520.634 3.930 40 0 KHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000927750 551580573 /nfs/dbraw/zinc/58/05/73/551580573.db2.gz KFHZOKFMPBMFBH-UHFFFAOYSA-N 1 2 518.618 3.900 40 0 KHABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000927750 551580569 /nfs/dbraw/zinc/58/05/69/551580569.db2.gz KFHZOKFMPBMFBH-UHFFFAOYSA-N 1 2 518.618 3.900 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000927868 551580681 /nfs/dbraw/zinc/58/06/81/551580681.db2.gz VKHJOQHZENYKAH-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1 ZINC000000927868 551580679 /nfs/dbraw/zinc/58/06/79/551580679.db2.gz VKHJOQHZENYKAH-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000929836 551581297 /nfs/dbraw/zinc/58/12/97/551581297.db2.gz BXQGQSDMDRRBEK-UHFFFAOYSA-N 1 2 508.629 3.721 40 0 KHABLO COc1ccc(CCNC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1OC ZINC000000931587 551584640 /nfs/dbraw/zinc/58/46/40/551584640.db2.gz HEEYLEZWFBFQFC-UHFFFAOYSA-N 1 2 559.132 3.759 40 0 KHABLO COc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)cc(Br)c1OCc1ccccc1Cl ZINC000000960108 551590389 /nfs/dbraw/zinc/59/03/89/551590389.db2.gz GBNPBXKSMYYIMQ-GOSISDBHSA-N 1 2 504.772 3.709 40 0 KHABLO COc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)cc(Br)c1OCc1ccccc1Cl ZINC000000960109 551590351 /nfs/dbraw/zinc/59/03/51/551590351.db2.gz GBNPBXKSMYYIMQ-SFHVURJKSA-N 1 2 504.772 3.709 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001325129 551642843 /nfs/dbraw/zinc/64/28/43/551642843.db2.gz LCMOZUSTZMTJKL-UHFFFAOYSA-N 1 2 538.608 3.588 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000001325129 551642840 /nfs/dbraw/zinc/64/28/40/551642840.db2.gz LCMOZUSTZMTJKL-UHFFFAOYSA-N 1 2 538.608 3.588 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001333882 551645044 /nfs/dbraw/zinc/64/50/44/551645044.db2.gz SMAJFXWQWXMLME-HHHXNRCGSA-N 1 2 546.628 3.768 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001333882 551645043 /nfs/dbraw/zinc/64/50/43/551645043.db2.gz SMAJFXWQWXMLME-HHHXNRCGSA-N 1 2 546.628 3.768 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001333884 551645036 /nfs/dbraw/zinc/64/50/36/551645036.db2.gz SMAJFXWQWXMLME-MHZLTWQESA-N 1 2 546.628 3.768 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000001333884 551645033 /nfs/dbraw/zinc/64/50/33/551645033.db2.gz SMAJFXWQWXMLME-MHZLTWQESA-N 1 2 546.628 3.768 40 0 KHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000001346444 551647057 /nfs/dbraw/zinc/64/70/57/551647057.db2.gz LMVPSYQTUQNROD-UHFFFAOYSA-N 1 2 522.656 3.948 40 0 KHABLO COc1ccc2cc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001373011 551651504 /nfs/dbraw/zinc/65/15/04/551651504.db2.gz JQYLDJPWTYOTRV-UHFFFAOYSA-N 1 2 558.614 3.973 40 0 KHABLO COc1ccc2cc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001373011 551651503 /nfs/dbraw/zinc/65/15/03/551651503.db2.gz JQYLDJPWTYOTRV-UHFFFAOYSA-N 1 2 558.614 3.973 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373175 551651472 /nfs/dbraw/zinc/65/14/72/551651472.db2.gz IKZSUTPSYLRBBT-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373175 551651469 /nfs/dbraw/zinc/65/14/69/551651469.db2.gz IKZSUTPSYLRBBT-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000001373606 551652251 /nfs/dbraw/zinc/65/22/51/551652251.db2.gz SXWDQKIQVLYFGC-UHFFFAOYSA-N 1 2 536.633 3.549 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000001373606 551652250 /nfs/dbraw/zinc/65/22/50/551652250.db2.gz SXWDQKIQVLYFGC-UHFFFAOYSA-N 1 2 536.633 3.549 40 0 KHABLO COc1cc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2cc1OC ZINC000001373654 551652275 /nfs/dbraw/zinc/65/22/75/551652275.db2.gz LFWXDAZUXOVJBG-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO COc1cc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2cc1OC ZINC000001373654 551652274 /nfs/dbraw/zinc/65/22/74/551652274.db2.gz LFWXDAZUXOVJBG-UHFFFAOYSA-N 1 2 510.598 3.825 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373752 551652540 /nfs/dbraw/zinc/65/25/40/551652540.db2.gz NGSFPLHYAPNQPI-UHFFFAOYSA-N 1 2 548.644 3.693 40 0 KHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001373752 551652538 /nfs/dbraw/zinc/65/25/38/551652538.db2.gz NGSFPLHYAPNQPI-UHFFFAOYSA-N 1 2 548.644 3.693 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1Cc1ccccc1)OCCO3 ZINC000001373859 551652521 /nfs/dbraw/zinc/65/25/21/551652521.db2.gz XYFWTEPTSVQYIX-UHFFFAOYSA-N 1 2 508.582 3.579 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1Cc1ccccc1)OCCO3 ZINC000001373859 551652519 /nfs/dbraw/zinc/65/25/19/551652519.db2.gz XYFWTEPTSVQYIX-UHFFFAOYSA-N 1 2 508.582 3.579 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373861 551652496 /nfs/dbraw/zinc/65/24/96/551652496.db2.gz HNXUXWQOXFNNPE-UHFFFAOYSA-N 1 2 568.634 3.596 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373861 551652493 /nfs/dbraw/zinc/65/24/93/551652493.db2.gz HNXUXWQOXFNNPE-UHFFFAOYSA-N 1 2 568.634 3.596 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1Cc1ccc(F)cc1)OCCO3 ZINC000001373948 551652718 /nfs/dbraw/zinc/65/27/18/551652718.db2.gz XVWHZQLZTLHIRG-UHFFFAOYSA-N 1 2 526.572 3.718 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1Cc1ccc(F)cc1)OCCO3 ZINC000001373948 551652715 /nfs/dbraw/zinc/65/27/15/551652715.db2.gz XVWHZQLZTLHIRG-UHFFFAOYSA-N 1 2 526.572 3.718 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373950 551652737 /nfs/dbraw/zinc/65/27/37/551652737.db2.gz GVQKPTCNPZPBSN-UHFFFAOYSA-N 1 2 586.624 3.735 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373950 551652735 /nfs/dbraw/zinc/65/27/35/551652735.db2.gz GVQKPTCNPZPBSN-UHFFFAOYSA-N 1 2 586.624 3.735 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1CCc1ccccc1)OCCO3 ZINC000001374000 551653024 /nfs/dbraw/zinc/65/30/24/551653024.db2.gz NVMNXEUZNRINHW-UHFFFAOYSA-N 1 2 522.609 3.773 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1CCc1ccccc1)OCCO3 ZINC000001374000 551653022 /nfs/dbraw/zinc/65/30/22/551653022.db2.gz NVMNXEUZNRINHW-UHFFFAOYSA-N 1 2 522.609 3.773 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001374003 551653110 /nfs/dbraw/zinc/65/31/10/551653110.db2.gz OBSADHMSMQKAQH-UHFFFAOYSA-N 1 2 582.661 3.791 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001374003 551653109 /nfs/dbraw/zinc/65/31/09/551653109.db2.gz OBSADHMSMQKAQH-UHFFFAOYSA-N 1 2 582.661 3.791 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374228 551653466 /nfs/dbraw/zinc/65/34/66/551653466.db2.gz CIXSJNGEANYMNF-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374228 551653463 /nfs/dbraw/zinc/65/34/63/551653463.db2.gz CIXSJNGEANYMNF-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374410 551653669 /nfs/dbraw/zinc/65/36/69/551653669.db2.gz AXVGOLATPWLUBN-UPVQGACJSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374410 551653668 /nfs/dbraw/zinc/65/36/68/551653668.db2.gz AXVGOLATPWLUBN-UPVQGACJSA-N 1 2 532.601 3.584 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374610 551654402 /nfs/dbraw/zinc/65/44/02/551654402.db2.gz QYMBYISKDQCNOS-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374610 551654398 /nfs/dbraw/zinc/65/43/98/551654398.db2.gz QYMBYISKDQCNOS-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374659 551654621 /nfs/dbraw/zinc/65/46/21/551654621.db2.gz GBDZOIBRFHWCML-VWNXMTODSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374659 551654619 /nfs/dbraw/zinc/65/46/19/551654619.db2.gz GBDZOIBRFHWCML-VWNXMTODSA-N 1 2 532.601 3.584 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374794 551655004 /nfs/dbraw/zinc/65/50/04/551655004.db2.gz LZBUPRJXTXVBKO-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374794 551655002 /nfs/dbraw/zinc/65/50/02/551655002.db2.gz LZBUPRJXTXVBKO-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374802 551654928 /nfs/dbraw/zinc/65/49/28/551654928.db2.gz XEVHXUIBRVWXRE-NRFANRHFSA-N 1 2 532.601 3.923 40 0 KHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374802 551654927 /nfs/dbraw/zinc/65/49/27/551654927.db2.gz XEVHXUIBRVWXRE-NRFANRHFSA-N 1 2 532.601 3.923 40 0 KHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374803 551654966 /nfs/dbraw/zinc/65/49/66/551654966.db2.gz XEVHXUIBRVWXRE-OAQYLSRUSA-N 1 2 532.601 3.923 40 0 KHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374803 551654963 /nfs/dbraw/zinc/65/49/63/551654963.db2.gz XEVHXUIBRVWXRE-OAQYLSRUSA-N 1 2 532.601 3.923 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375305 551656489 /nfs/dbraw/zinc/65/64/89/551656489.db2.gz OUCSGSPYXHIUIO-DEOSSOPVSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375305 551656485 /nfs/dbraw/zinc/65/64/85/551656485.db2.gz OUCSGSPYXHIUIO-DEOSSOPVSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375309 551656573 /nfs/dbraw/zinc/65/65/73/551656573.db2.gz AWAMRVFTRABZRT-VWLOTQADSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375309 551656572 /nfs/dbraw/zinc/65/65/72/551656572.db2.gz AWAMRVFTRABZRT-VWLOTQADSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375313 551656549 /nfs/dbraw/zinc/65/65/49/551656549.db2.gz NFSRWBZMGUFUSI-QHCPKHFHSA-N 1 2 532.601 3.577 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375313 551656547 /nfs/dbraw/zinc/65/65/47/551656547.db2.gz NFSRWBZMGUFUSI-QHCPKHFHSA-N 1 2 532.601 3.577 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375459 551656995 /nfs/dbraw/zinc/65/69/95/551656995.db2.gz HXIUQZPFIOXQPG-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375459 551656994 /nfs/dbraw/zinc/65/69/94/551656994.db2.gz HXIUQZPFIOXQPG-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375607 551657521 /nfs/dbraw/zinc/65/75/21/551657521.db2.gz PIERTGNIERDFCV-QHCPKHFHSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375607 551657518 /nfs/dbraw/zinc/65/75/18/551657518.db2.gz PIERTGNIERDFCV-QHCPKHFHSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375611 551657438 /nfs/dbraw/zinc/65/74/38/551657438.db2.gz IFEAJUUQLIPJFI-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375611 551657436 /nfs/dbraw/zinc/65/74/36/551657436.db2.gz IFEAJUUQLIPJFI-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375615 551657568 /nfs/dbraw/zinc/65/75/68/551657568.db2.gz VIAMXCREPUDSFD-QFIPXVFZSA-N 1 2 532.601 3.577 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375615 551657566 /nfs/dbraw/zinc/65/75/66/551657566.db2.gz VIAMXCREPUDSFD-QFIPXVFZSA-N 1 2 532.601 3.577 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001375759 551657557 /nfs/dbraw/zinc/65/75/57/551657557.db2.gz ZQBMVUKFFPWKIC-UHFFFAOYSA-N 1 2 524.581 3.545 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000001375759 551657555 /nfs/dbraw/zinc/65/75/55/551657555.db2.gz ZQBMVUKFFPWKIC-UHFFFAOYSA-N 1 2 524.581 3.545 40 0 KHABLO O=C(Nc1ccc(Oc2ccccc2)cc1)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000004147842 291821699 /nfs/dbraw/zinc/82/16/99/291821699.db2.gz HFAWZCWVXCGAQL-GWMMUDDPSA-N 1 2 566.578 3.972 40 0 biogenic,in-vitro KHABLO O=S(=O)(c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCCC1 ZINC000006131036 552534850 /nfs/dbraw/zinc/53/48/50/552534850.db2.gz JNGUVKAZFIZMQY-UHFFFAOYSA-N 1 2 539.723 3.957 40 0 KHABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006239111 552572459 /nfs/dbraw/zinc/57/24/59/552572459.db2.gz FYACOTZBQHKWNG-MUUNZHRXSA-N 1 2 538.608 3.724 40 0 KHABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006239111 552572458 /nfs/dbraw/zinc/57/24/58/552572458.db2.gz FYACOTZBQHKWNG-MUUNZHRXSA-N 1 2 538.608 3.724 40 0 KHABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006239112 552572436 /nfs/dbraw/zinc/57/24/36/552572436.db2.gz GDNKIPHUHXOHJC-AREMUKBSSA-N 1 2 544.637 3.786 40 0 KHABLO COCCn1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006239112 552572434 /nfs/dbraw/zinc/57/24/34/552572434.db2.gz GDNKIPHUHXOHJC-AREMUKBSSA-N 1 2 544.637 3.786 40 0 KHABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006239195 552572361 /nfs/dbraw/zinc/57/23/61/552572361.db2.gz FYACOTZBQHKWNG-NDEPHWFRSA-N 1 2 538.608 3.724 40 0 KHABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000006239195 552572359 /nfs/dbraw/zinc/57/23/59/552572359.db2.gz FYACOTZBQHKWNG-NDEPHWFRSA-N 1 2 538.608 3.724 40 0 KHABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000006239196 552572406 /nfs/dbraw/zinc/57/24/06/552572406.db2.gz GDNKIPHUHXOHJC-SANMLTNESA-N 1 2 544.637 3.786 40 0 KHABLO COCCn1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000006239196 552572404 /nfs/dbraw/zinc/57/24/04/552572404.db2.gz GDNKIPHUHXOHJC-SANMLTNESA-N 1 2 544.637 3.786 40 0 KHABLO COc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239487 552572861 /nfs/dbraw/zinc/57/28/61/552572861.db2.gz FFKATKBWXIOCFD-FIPFOOKPSA-N 1 2 544.656 3.755 40 0 KHABLO COc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239491 552572864 /nfs/dbraw/zinc/57/28/64/552572864.db2.gz FFKATKBWXIOCFD-LXFBAYGMSA-N 1 2 544.656 3.755 40 0 KHABLO COc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239529 552572892 /nfs/dbraw/zinc/57/28/92/552572892.db2.gz FFKATKBWXIOCFD-NEKDWFFYSA-N 1 2 544.656 3.755 40 0 KHABLO COc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006239534 193875012 /nfs/dbraw/zinc/87/50/12/193875012.db2.gz FFKATKBWXIOCFD-QDPGVEIFSA-N 1 2 544.656 3.755 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282617 552577748 /nfs/dbraw/zinc/57/77/48/552577748.db2.gz XMVAWELRKDMEQI-IGKIAQTJSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282630 552577735 /nfs/dbraw/zinc/57/77/35/552577735.db2.gz XMVAWELRKDMEQI-SQHAQQRYSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282700 552577978 /nfs/dbraw/zinc/57/79/78/552577978.db2.gz XMVAWELRKDMEQI-RPLLCQBOSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006282716 552577970 /nfs/dbraw/zinc/57/79/70/552577970.db2.gz XMVAWELRKDMEQI-SHQCIBLASA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282842 552577985 /nfs/dbraw/zinc/57/79/85/552577985.db2.gz JWGFAOFOBQCLCB-IGKIAQTJSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282853 552578205 /nfs/dbraw/zinc/57/82/05/552578205.db2.gz JWGFAOFOBQCLCB-SQHAQQRYSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282907 552578227 /nfs/dbraw/zinc/57/82/27/552578227.db2.gz JWGFAOFOBQCLCB-RPLLCQBOSA-N 1 2 514.630 3.746 40 0 KHABLO COc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006282917 552578217 /nfs/dbraw/zinc/57/82/17/552578217.db2.gz JWGFAOFOBQCLCB-SHQCIBLASA-N 1 2 514.630 3.746 40 0 KHABLO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)c2C(N)=O)C1 ZINC000008766598 553138913 /nfs/dbraw/zinc/13/89/13/553138913.db2.gz WZLLPMSEDTXDFD-QLXKLKPCSA-N 1 2 530.716 3.677 40 0 KHABLO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)c2C(N)=O)C1 ZINC000008766598 553138911 /nfs/dbraw/zinc/13/89/11/553138911.db2.gz WZLLPMSEDTXDFD-QLXKLKPCSA-N 1 2 530.716 3.677 40 0 KHABLO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3)c2C(N)=O)C1 ZINC000008766600 553138924 /nfs/dbraw/zinc/13/89/24/553138924.db2.gz WZLLPMSEDTXDFD-WGDIFIGCSA-N 1 2 530.716 3.677 40 0 KHABLO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3)c2C(N)=O)C1 ZINC000008766600 553138923 /nfs/dbraw/zinc/13/89/23/553138923.db2.gz WZLLPMSEDTXDFD-WGDIFIGCSA-N 1 2 530.716 3.677 40 0 KHABLO COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(OC)cc2)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000008969178 553195022 /nfs/dbraw/zinc/19/50/22/553195022.db2.gz KVJDWPTYZIFSHS-XDZXDJIYSA-N 1 2 509.562 3.854 40 0 KHABLO COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2ccc(OC)cc2)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000008969178 553195020 /nfs/dbraw/zinc/19/50/20/553195020.db2.gz KVJDWPTYZIFSHS-XDZXDJIYSA-N 1 2 509.562 3.854 40 0 KHABLO COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008969181 553195006 /nfs/dbraw/zinc/19/50/06/553195006.db2.gz KVJDWPTYZIFSHS-CWTOASCOSA-N 1 2 509.562 3.854 40 0 KHABLO COc1ccc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(OC)cc2)cc1 ZINC000008969181 553195003 /nfs/dbraw/zinc/19/50/03/553195003.db2.gz KVJDWPTYZIFSHS-CWTOASCOSA-N 1 2 509.562 3.854 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000013033587 553443099 /nfs/dbraw/zinc/44/30/99/553443099.db2.gz HIUNFIPKRGSMTB-UHFFFAOYSA-N 1 2 504.591 3.534 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000013033587 553443095 /nfs/dbraw/zinc/44/30/95/553443095.db2.gz HIUNFIPKRGSMTB-UHFFFAOYSA-N 1 2 504.591 3.534 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494741 553460327 /nfs/dbraw/zinc/46/03/27/553460327.db2.gz SQBKNIPVEBGCMJ-DEOSSOPVSA-N 1 2 504.591 3.630 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494741 553460325 /nfs/dbraw/zinc/46/03/25/553460325.db2.gz SQBKNIPVEBGCMJ-DEOSSOPVSA-N 1 2 504.591 3.630 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494869 553460827 /nfs/dbraw/zinc/46/08/27/553460827.db2.gz HEIUOWUTJCKTIJ-VWLOTQADSA-N 1 2 518.618 3.938 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013494869 553460825 /nfs/dbraw/zinc/46/08/25/553460825.db2.gz HEIUOWUTJCKTIJ-VWLOTQADSA-N 1 2 518.618 3.938 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494887 553460779 /nfs/dbraw/zinc/46/07/79/553460779.db2.gz IZLRCQBMTOWACV-LADGPHEKSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494887 553460778 /nfs/dbraw/zinc/46/07/78/553460778.db2.gz IZLRCQBMTOWACV-LADGPHEKSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494890 553460845 /nfs/dbraw/zinc/46/08/45/553460845.db2.gz IZLRCQBMTOWACV-UPVQGACJSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494890 553460844 /nfs/dbraw/zinc/46/08/44/553460844.db2.gz IZLRCQBMTOWACV-UPVQGACJSA-N 1 2 516.602 3.884 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495047 553461021 /nfs/dbraw/zinc/46/10/21/553461021.db2.gz XBUKSHGDJIDPEQ-QHCPKHFHSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495047 553461019 /nfs/dbraw/zinc/46/10/19/553461019.db2.gz XBUKSHGDJIDPEQ-QHCPKHFHSA-N 1 2 506.582 3.987 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495079 553461327 /nfs/dbraw/zinc/46/13/27/553461327.db2.gz XIRKDYVDQYUNKU-DEOSSOPVSA-N 1 2 522.581 3.769 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495079 553461326 /nfs/dbraw/zinc/46/13/26/553461326.db2.gz XIRKDYVDQYUNKU-DEOSSOPVSA-N 1 2 522.581 3.769 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495088 553461272 /nfs/dbraw/zinc/46/12/72/553461272.db2.gz ZALHTMDKRYWOHA-JTHBVZDNSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495088 553461271 /nfs/dbraw/zinc/46/12/71/553461271.db2.gz ZALHTMDKRYWOHA-JTHBVZDNSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495090 553461279 /nfs/dbraw/zinc/46/12/79/553461279.db2.gz ZALHTMDKRYWOHA-GMAHTHKFSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495090 553461277 /nfs/dbraw/zinc/46/12/77/553461277.db2.gz ZALHTMDKRYWOHA-GMAHTHKFSA-N 1 2 520.565 3.715 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495123 553461605 /nfs/dbraw/zinc/46/16/05/553461605.db2.gz CWFOHBCUCSABRV-QHCPKHFHSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495123 553461604 /nfs/dbraw/zinc/46/16/04/553461604.db2.gz CWFOHBCUCSABRV-QHCPKHFHSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495159 553461654 /nfs/dbraw/zinc/46/16/54/553461654.db2.gz BRNWREJUEGHKPD-XMMPIXPASA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495159 553461653 /nfs/dbraw/zinc/46/16/53/553461653.db2.gz BRNWREJUEGHKPD-XMMPIXPASA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495161 553461648 /nfs/dbraw/zinc/46/16/48/553461648.db2.gz BRNWREJUEGHKPD-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495161 553461647 /nfs/dbraw/zinc/46/16/47/553461647.db2.gz BRNWREJUEGHKPD-DEOSSOPVSA-N 1 2 504.591 3.548 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495185 553461674 /nfs/dbraw/zinc/46/16/74/553461674.db2.gz JLNREFRZGXGCQF-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495185 553461672 /nfs/dbraw/zinc/46/16/72/553461672.db2.gz JLNREFRZGXGCQF-DEOSSOPVSA-N 1 2 518.618 3.857 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495238 553461967 /nfs/dbraw/zinc/46/19/67/553461967.db2.gz TXBHXBZIMGWNHJ-LADGPHEKSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495238 553461966 /nfs/dbraw/zinc/46/19/66/553461966.db2.gz TXBHXBZIMGWNHJ-LADGPHEKSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495241 553461979 /nfs/dbraw/zinc/46/19/79/553461979.db2.gz TXBHXBZIMGWNHJ-UPVQGACJSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495241 553461978 /nfs/dbraw/zinc/46/19/78/553461978.db2.gz TXBHXBZIMGWNHJ-UPVQGACJSA-N 1 2 516.602 3.884 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495790 553462720 /nfs/dbraw/zinc/46/27/20/553462720.db2.gz BKXXOANBMRPULJ-JOCHJYFZSA-N 1 2 510.620 3.691 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495790 553462718 /nfs/dbraw/zinc/46/27/18/553462718.db2.gz BKXXOANBMRPULJ-JOCHJYFZSA-N 1 2 510.620 3.691 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495791 553462830 /nfs/dbraw/zinc/46/28/30/553462830.db2.gz BKXXOANBMRPULJ-QFIPXVFZSA-N 1 2 510.620 3.691 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013495791 553462828 /nfs/dbraw/zinc/46/28/28/553462828.db2.gz BKXXOANBMRPULJ-QFIPXVFZSA-N 1 2 510.620 3.691 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495798 553462714 /nfs/dbraw/zinc/46/27/14/553462714.db2.gz RMLBWUALLZSQPH-GHTZIAJQSA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495798 553462712 /nfs/dbraw/zinc/46/27/12/553462712.db2.gz RMLBWUALLZSQPH-GHTZIAJQSA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495799 553462836 /nfs/dbraw/zinc/46/28/36/553462836.db2.gz RMLBWUALLZSQPH-RXVVDRJESA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495799 553462834 /nfs/dbraw/zinc/46/28/34/553462834.db2.gz RMLBWUALLZSQPH-RXVVDRJESA-N 1 2 508.604 3.637 40 0 KHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498688 553464720 /nfs/dbraw/zinc/46/47/20/553464720.db2.gz MFQHBYDOEADTGR-RUZDIDTESA-N 1 2 506.607 3.578 40 0 KHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498688 553464718 /nfs/dbraw/zinc/46/47/18/553464718.db2.gz MFQHBYDOEADTGR-RUZDIDTESA-N 1 2 506.607 3.578 40 0 KHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498689 553464870 /nfs/dbraw/zinc/46/48/70/553464870.db2.gz MFQHBYDOEADTGR-VWLOTQADSA-N 1 2 506.607 3.578 40 0 KHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498689 553464868 /nfs/dbraw/zinc/46/48/68/553464868.db2.gz MFQHBYDOEADTGR-VWLOTQADSA-N 1 2 506.607 3.578 40 0 KHABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013498786 553464853 /nfs/dbraw/zinc/46/48/53/553464853.db2.gz QIQXXHAQPHCYGR-WNCULLNHSA-N 1 2 530.629 3.712 40 0 KHABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013498786 553464851 /nfs/dbraw/zinc/46/48/51/553464851.db2.gz QIQXXHAQPHCYGR-WNCULLNHSA-N 1 2 530.629 3.712 40 0 KHABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013498787 553464976 /nfs/dbraw/zinc/46/49/76/553464976.db2.gz QIQXXHAQPHCYGR-HOFKKMOUSA-N 1 2 530.629 3.712 40 0 KHABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013498787 553464974 /nfs/dbraw/zinc/46/49/74/553464974.db2.gz QIQXXHAQPHCYGR-HOFKKMOUSA-N 1 2 530.629 3.712 40 0 KHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013499393 553465441 /nfs/dbraw/zinc/46/54/41/553465441.db2.gz RVOUWKXISDSVDB-JTHBVZDNSA-N 1 2 508.623 3.923 40 0 KHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013499393 553465439 /nfs/dbraw/zinc/46/54/39/553465439.db2.gz RVOUWKXISDSVDB-JTHBVZDNSA-N 1 2 508.623 3.923 40 0 KHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013499394 553465516 /nfs/dbraw/zinc/46/55/16/553465516.db2.gz RVOUWKXISDSVDB-GMAHTHKFSA-N 1 2 508.623 3.923 40 0 KHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000013499394 553465515 /nfs/dbraw/zinc/46/55/15/553465515.db2.gz RVOUWKXISDSVDB-GMAHTHKFSA-N 1 2 508.623 3.923 40 0 KHABLO CCC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499417 553465624 /nfs/dbraw/zinc/46/56/24/553465624.db2.gz SGYKXXWVISZLHF-OAQYLSRUSA-N 1 2 510.620 3.537 40 0 KHABLO CCC[C@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499417 553465622 /nfs/dbraw/zinc/46/56/22/553465622.db2.gz SGYKXXWVISZLHF-OAQYLSRUSA-N 1 2 510.620 3.537 40 0 KHABLO CCC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499418 553465782 /nfs/dbraw/zinc/46/57/82/553465782.db2.gz SGYKXXWVISZLHF-NRFANRHFSA-N 1 2 510.620 3.537 40 0 KHABLO CCC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499418 553465781 /nfs/dbraw/zinc/46/57/81/553465781.db2.gz SGYKXXWVISZLHF-NRFANRHFSA-N 1 2 510.620 3.537 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500352 553466099 /nfs/dbraw/zinc/46/60/99/553466099.db2.gz GCVNREKQFCFVBM-VWLOTQADSA-N 1 2 506.582 3.925 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500352 553466097 /nfs/dbraw/zinc/46/60/97/553466097.db2.gz GCVNREKQFCFVBM-VWLOTQADSA-N 1 2 506.582 3.925 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500358 553465999 /nfs/dbraw/zinc/46/59/99/553465999.db2.gz XOWZPATYVSIPAT-SANMLTNESA-N 1 2 518.618 3.794 40 0 KHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500358 553465995 /nfs/dbraw/zinc/46/59/95/553465995.db2.gz XOWZPATYVSIPAT-SANMLTNESA-N 1 2 518.618 3.794 40 0 KHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500660 553466054 /nfs/dbraw/zinc/46/60/54/553466054.db2.gz ITVXSOCELMHKAW-MUUNZHRXSA-N 1 2 529.689 3.793 40 0 KHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCN3CCOCC3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500660 553466052 /nfs/dbraw/zinc/46/60/52/553466052.db2.gz ITVXSOCELMHKAW-MUUNZHRXSA-N 1 2 529.689 3.793 40 0 KHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500661 553466025 /nfs/dbraw/zinc/46/60/25/553466025.db2.gz ITVXSOCELMHKAW-NDEPHWFRSA-N 1 2 529.689 3.793 40 0 KHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCN3CCOCC3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500661 553466022 /nfs/dbraw/zinc/46/60/22/553466022.db2.gz ITVXSOCELMHKAW-NDEPHWFRSA-N 1 2 529.689 3.793 40 0 KHABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501096 553466478 /nfs/dbraw/zinc/46/64/78/553466478.db2.gz XFIDCVOTROFXHA-RUZDIDTESA-N 1 2 507.683 3.922 40 0 KHABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501096 553466477 /nfs/dbraw/zinc/46/64/77/553466477.db2.gz XFIDCVOTROFXHA-RUZDIDTESA-N 1 2 507.683 3.922 40 0 KHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501097 553466591 /nfs/dbraw/zinc/46/65/91/553466591.db2.gz XFIDCVOTROFXHA-VWLOTQADSA-N 1 2 507.683 3.922 40 0 KHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501097 553466590 /nfs/dbraw/zinc/46/65/90/553466590.db2.gz XFIDCVOTROFXHA-VWLOTQADSA-N 1 2 507.683 3.922 40 0 KHABLO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501235 553466559 /nfs/dbraw/zinc/46/65/59/553466559.db2.gz CQFITGLVDZROEP-UHFFFAOYSA-N 1 2 519.694 3.932 40 0 KHABLO O=C(CSc1ncnc2c(-c3ccccc3)nsc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000013561708 553471697 /nfs/dbraw/zinc/47/16/97/553471697.db2.gz RTPJUVFHPJQBRW-UHFFFAOYSA-N 1 2 505.625 3.919 40 0 KHABLO CN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013584549 553476121 /nfs/dbraw/zinc/47/61/21/553476121.db2.gz JVGRYGVOKFBAMH-UHFFFAOYSA-N 1 2 508.463 3.877 40 0 KHABLO O=S(=O)(c1ccccc1)n1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000013585790 553476867 /nfs/dbraw/zinc/47/68/67/553476867.db2.gz SAGFQJAZWUPZTC-UHFFFAOYSA-N 1 2 521.664 3.821 40 0 KHABLO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1 ZINC000013678245 553483375 /nfs/dbraw/zinc/48/33/75/553483375.db2.gz JTVXQZKVUHOAIP-UHFFFAOYSA-N 1 2 507.612 3.791 40 0 KHABLO Cc1cccc(N(Cc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)S(C)(=O)=O)c1 ZINC000013681599 553484573 /nfs/dbraw/zinc/48/45/73/553484573.db2.gz BHRZPIOOGDHVDK-UHFFFAOYSA-N 1 2 521.639 3.648 40 0 KHABLO O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014154968 553504725 /nfs/dbraw/zinc/50/47/25/553504725.db2.gz KYQZNAOUQGKQPT-MHZLTWQESA-N 1 2 505.596 3.741 40 0 KHABLO O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000014154971 553504823 /nfs/dbraw/zinc/50/48/23/553504823.db2.gz KYQZNAOUQGKQPT-HHHXNRCGSA-N 1 2 505.596 3.741 40 0 KHABLO O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000015304443 553530956 /nfs/dbraw/zinc/53/09/56/553530956.db2.gz RXEDVAGAHBXFDH-JWWGGVBKSA-N 1 2 513.461 3.502 40 0 KHABLO COC(=O)c1ccc(N2C(=O)C=C(N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000015319471 553531819 /nfs/dbraw/zinc/53/18/19/553531819.db2.gz QCSZWCSITSXXCW-UHFFFAOYSA-N 1 2 517.532 3.916 40 0 KHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000015676452 553534096 /nfs/dbraw/zinc/53/40/96/553534096.db2.gz SGAQPDHPSHYFEM-IBGZPJMESA-N 1 2 513.925 3.892 40 0 biogenic,in-vitro KHABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707352 553534729 /nfs/dbraw/zinc/53/47/29/553534729.db2.gz LWKULLCKXQIRPX-IBGZPJMESA-N 1 2 502.487 3.697 40 0 biogenic,in-vitro KHABLO CCOC(=O)c1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015707352 553534727 /nfs/dbraw/zinc/53/47/27/553534727.db2.gz LWKULLCKXQIRPX-IBGZPJMESA-N 1 2 502.487 3.697 40 0 biogenic,in-vitro KHABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(I)ccc1Cl ZINC000016401479 553562784 /nfs/dbraw/zinc/56/27/84/553562784.db2.gz OJEVPWTYWYTSDV-UHFFFAOYSA-N 1 2 515.804 3.904 40 0 KHABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016479086 553565808 /nfs/dbraw/zinc/56/58/08/553565808.db2.gz HXVHYQYFENSPHD-XNTDXEJSSA-N 1 2 503.668 3.778 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000018169974 553606895 /nfs/dbraw/zinc/60/68/95/553606895.db2.gz IIPXIDATKIXOBE-BZDHPDOMSA-N 1 2 504.743 3.673 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000018169974 553606893 /nfs/dbraw/zinc/60/68/93/553606893.db2.gz IIPXIDATKIXOBE-BZDHPDOMSA-N 1 2 504.743 3.673 40 0 KHABLO Brc1ccc2c(c1)O[C@@H](CN1CC[NH+](C[C@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365907 553614133 /nfs/dbraw/zinc/61/41/33/553614133.db2.gz WKUUDNONHURCJX-ROUUACIJSA-N 1 2 540.252 3.809 40 0 KHABLO Brc1ccc2c(c1)O[C@H](C[NH+]1CCN(C[C@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365909 553614231 /nfs/dbraw/zinc/61/42/31/553614231.db2.gz WKUUDNONHURCJX-HDICACEKSA-N 1 2 540.252 3.809 40 0 KHABLO Brc1ccc2c(c1)O[C@H](CN1CC[NH+](C[C@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365909 553614229 /nfs/dbraw/zinc/61/42/29/553614229.db2.gz WKUUDNONHURCJX-HDICACEKSA-N 1 2 540.252 3.809 40 0 KHABLO Brc1ccc2c(c1)O[C@H](CN1CC[NH+](C[C@@H]3COc4ccc(Br)cc4O3)CC1)CO2 ZINC000019365910 553614092 /nfs/dbraw/zinc/61/40/92/553614092.db2.gz WKUUDNONHURCJX-QZTJIDSGSA-N 1 2 540.252 3.809 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019826034 553621692 /nfs/dbraw/zinc/62/16/92/553621692.db2.gz SOZKBKQSSWKNFI-HHHXNRCGSA-N 1 2 527.629 3.574 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000019826037 553621649 /nfs/dbraw/zinc/62/16/49/553621649.db2.gz SOZKBKQSSWKNFI-MHZLTWQESA-N 1 2 527.629 3.574 40 0 KHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000019826282 553621929 /nfs/dbraw/zinc/62/19/29/553621929.db2.gz DZHQPACJICMPIR-HHHXNRCGSA-N 1 2 527.629 3.574 40 0 KHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000019826286 553622049 /nfs/dbraw/zinc/62/20/49/553622049.db2.gz DZHQPACJICMPIR-MHZLTWQESA-N 1 2 527.629 3.574 40 0 KHABLO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000019856958 553628719 /nfs/dbraw/zinc/62/87/19/553628719.db2.gz SBMLBTBBDVYANH-UHFFFAOYSA-N 1 2 507.612 3.507 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(F)cc2)cc1OC ZINC000019932299 553635514 /nfs/dbraw/zinc/63/55/14/553635514.db2.gz TZJRYQFQAPRCGI-UHFFFAOYSA-N 1 2 524.574 3.540 40 0 KHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000019932436 553635511 /nfs/dbraw/zinc/63/55/11/553635511.db2.gz NZAQYJFZZAKGKS-UHFFFAOYSA-N 1 2 508.575 3.922 40 0 KHABLO CN(c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937873 553636967 /nfs/dbraw/zinc/63/69/67/553636967.db2.gz JGRIKVXWVPEPGZ-DHZHZOJOSA-N 1 2 505.640 3.748 40 0 KHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000019940564 553639719 /nfs/dbraw/zinc/63/97/19/553639719.db2.gz AILBSUHZVLFQKK-HHHXNRCGSA-N 1 2 527.629 3.574 40 0 KHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000019940565 553639792 /nfs/dbraw/zinc/63/97/92/553639792.db2.gz AILBSUHZVLFQKK-MHZLTWQESA-N 1 2 527.629 3.574 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019941371 553643934 /nfs/dbraw/zinc/64/39/34/553643934.db2.gz JFSCVOOOABRRQT-SANMLTNESA-N 1 2 529.645 3.604 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019941372 553643946 /nfs/dbraw/zinc/64/39/46/553643946.db2.gz JFSCVOOOABRRQT-AREMUKBSSA-N 1 2 529.645 3.604 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019941590 553645318 /nfs/dbraw/zinc/64/53/18/553645318.db2.gz PQADMGFESBCYAW-SANMLTNESA-N 1 2 529.645 3.604 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019941591 553645286 /nfs/dbraw/zinc/64/52/86/553645286.db2.gz PQADMGFESBCYAW-AREMUKBSSA-N 1 2 529.645 3.604 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2)cc1OC ZINC000020043425 553669480 /nfs/dbraw/zinc/66/94/80/553669480.db2.gz ATXVRRWLSIICEO-UHFFFAOYSA-N 1 2 524.574 3.540 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000020081657 553680599 /nfs/dbraw/zinc/68/05/99/553680599.db2.gz JMWULLXTVHTBAB-DEOSSOPVSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000020081657 553680597 /nfs/dbraw/zinc/68/05/97/553680597.db2.gz JMWULLXTVHTBAB-DEOSSOPVSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000020081660 553680648 /nfs/dbraw/zinc/68/06/48/553680648.db2.gz JMWULLXTVHTBAB-XMMPIXPASA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000020081660 553680646 /nfs/dbraw/zinc/68/06/46/553680646.db2.gz JMWULLXTVHTBAB-XMMPIXPASA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000020081736 553680680 /nfs/dbraw/zinc/68/06/80/553680680.db2.gz OCEKGYXEIBCIDI-QHCPKHFHSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000020081736 553680678 /nfs/dbraw/zinc/68/06/78/553680678.db2.gz OCEKGYXEIBCIDI-QHCPKHFHSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000020081740 553680671 /nfs/dbraw/zinc/68/06/71/553680671.db2.gz OCEKGYXEIBCIDI-HSZRJFAPSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000020081740 553680669 /nfs/dbraw/zinc/68/06/69/553680669.db2.gz OCEKGYXEIBCIDI-HSZRJFAPSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000020081780 553680753 /nfs/dbraw/zinc/68/07/53/553680753.db2.gz KCHDNJROUDMULU-DEOSSOPVSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000020081780 553680751 /nfs/dbraw/zinc/68/07/51/553680751.db2.gz KCHDNJROUDMULU-DEOSSOPVSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000020081783 553680607 /nfs/dbraw/zinc/68/06/07/553680607.db2.gz KCHDNJROUDMULU-XMMPIXPASA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000020081783 553680604 /nfs/dbraw/zinc/68/06/04/553680604.db2.gz KCHDNJROUDMULU-XMMPIXPASA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000020081817 553680736 /nfs/dbraw/zinc/68/07/36/553680736.db2.gz LYZFBLHAVFWODH-QHCPKHFHSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@@H]2CCCO2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000020081817 553680734 /nfs/dbraw/zinc/68/07/34/553680734.db2.gz LYZFBLHAVFWODH-QHCPKHFHSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000020081821 553680709 /nfs/dbraw/zinc/68/07/09/553680709.db2.gz LYZFBLHAVFWODH-HSZRJFAPSA-N 1 2 532.645 3.573 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C[C@H]2CCCO2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000020081821 553680706 /nfs/dbraw/zinc/68/07/06/553680706.db2.gz LYZFBLHAVFWODH-HSZRJFAPSA-N 1 2 532.645 3.573 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000020083123 553683443 /nfs/dbraw/zinc/68/34/43/553683443.db2.gz HLRVHDMBWYFNBB-AREMUKBSSA-N 1 2 529.645 3.522 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000020083126 553683365 /nfs/dbraw/zinc/68/33/65/553683365.db2.gz HLRVHDMBWYFNBB-SANMLTNESA-N 1 2 529.645 3.522 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000020083410 553683982 /nfs/dbraw/zinc/68/39/82/553683982.db2.gz AHZIBBYMVACAGM-AREMUKBSSA-N 1 2 529.645 3.522 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000020083413 553683988 /nfs/dbraw/zinc/68/39/88/553683988.db2.gz AHZIBBYMVACAGM-SANMLTNESA-N 1 2 529.645 3.522 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccnc4)CC3)cc12 ZINC000020083473 553684253 /nfs/dbraw/zinc/68/42/53/553684253.db2.gz QOOOSIJENFXUFG-HHHXNRCGSA-N 1 2 512.662 3.939 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccnc4)CC3)cc12 ZINC000020083477 553684241 /nfs/dbraw/zinc/68/42/41/553684241.db2.gz QOOOSIJENFXUFG-MHZLTWQESA-N 1 2 512.662 3.939 40 0 KHABLO Cc1cc2cc([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000020083702 553684414 /nfs/dbraw/zinc/68/44/14/553684414.db2.gz CWNJQSIUOXJEFT-AREMUKBSSA-N 1 2 529.645 3.522 40 0 KHABLO Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000020083705 553684420 /nfs/dbraw/zinc/68/44/20/553684420.db2.gz CWNJQSIUOXJEFT-SANMLTNESA-N 1 2 529.645 3.522 40 0 KHABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000020083747 553684850 /nfs/dbraw/zinc/68/48/50/553684850.db2.gz ZEHCSMMCAAFIPH-HHHXNRCGSA-N 1 2 512.662 3.939 40 0 KHABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000020083750 553684867 /nfs/dbraw/zinc/68/48/67/553684867.db2.gz ZEHCSMMCAAFIPH-MHZLTWQESA-N 1 2 512.662 3.939 40 0 KHABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000020083759 553684819 /nfs/dbraw/zinc/68/48/19/553684819.db2.gz YKNJBNPENQVDQD-HHHXNRCGSA-N 1 2 527.604 3.819 40 0 KHABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000020083762 553684881 /nfs/dbraw/zinc/68/48/81/553684881.db2.gz YKNJBNPENQVDQD-MHZLTWQESA-N 1 2 527.604 3.819 40 0 KHABLO CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020097636 553686388 /nfs/dbraw/zinc/68/63/88/553686388.db2.gz GPJVITJQJDVXNK-UHFFFAOYSA-N 1 2 527.712 3.813 40 0 KHABLO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)c1 ZINC000020107254 553690202 /nfs/dbraw/zinc/69/02/02/553690202.db2.gz RZTNEQPMAUHYQT-UHFFFAOYSA-N 1 2 511.600 3.589 40 0 KHABLO COc1cc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1OC ZINC000020109230 553692113 /nfs/dbraw/zinc/69/21/13/553692113.db2.gz PQTGJZWPDGTEPH-UHFFFAOYSA-N 1 2 500.983 3.565 40 0 KHABLO COc1cc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1OC ZINC000020109231 553692092 /nfs/dbraw/zinc/69/20/92/553692092.db2.gz UQJVVIPYLOORGT-UHFFFAOYSA-N 1 2 500.983 3.565 40 0 KHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000020109380 553692726 /nfs/dbraw/zinc/69/27/26/553692726.db2.gz HROQOGUVYAGQEP-MUUNZHRXSA-N 1 2 529.689 3.605 40 0 KHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000020109381 553692681 /nfs/dbraw/zinc/69/26/81/553692681.db2.gz HROQOGUVYAGQEP-NDEPHWFRSA-N 1 2 529.689 3.605 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109420 553692991 /nfs/dbraw/zinc/69/29/91/553692991.db2.gz YOEDIVGFTIIGES-HHHXNRCGSA-N 1 2 529.689 3.855 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109420 553692989 /nfs/dbraw/zinc/69/29/89/553692989.db2.gz YOEDIVGFTIIGES-HHHXNRCGSA-N 1 2 529.689 3.855 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109421 553692935 /nfs/dbraw/zinc/69/29/35/553692935.db2.gz YOEDIVGFTIIGES-MHZLTWQESA-N 1 2 529.689 3.855 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109421 553692932 /nfs/dbraw/zinc/69/29/32/553692932.db2.gz YOEDIVGFTIIGES-MHZLTWQESA-N 1 2 529.689 3.855 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1Cc1ccc(F)cc1)OCO3 ZINC000020109433 553692889 /nfs/dbraw/zinc/69/28/89/553692889.db2.gz NRXSKYREJZKXFT-UHFFFAOYSA-N 1 2 512.545 3.676 40 0 KHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1Cc1ccc(F)cc1)OCO3 ZINC000020109433 553692888 /nfs/dbraw/zinc/69/28/88/553692888.db2.gz NRXSKYREJZKXFT-UHFFFAOYSA-N 1 2 512.545 3.676 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000020109444 553693211 /nfs/dbraw/zinc/69/32/11/553693211.db2.gz FAVPIRBDVRDSJJ-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000020109444 553693207 /nfs/dbraw/zinc/69/32/07/553693207.db2.gz FAVPIRBDVRDSJJ-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000020109445 553693167 /nfs/dbraw/zinc/69/31/67/553693167.db2.gz IICADBFTKQURPC-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000020109445 553693163 /nfs/dbraw/zinc/69/31/63/553693163.db2.gz IICADBFTKQURPC-UHFFFAOYSA-N 1 2 514.586 3.726 40 0 KHABLO CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)c1ccccc1F ZINC000020110756 553693758 /nfs/dbraw/zinc/69/37/58/553693758.db2.gz RAMSKKLBAMPEEF-UHFFFAOYSA-N 1 2 507.591 3.754 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)cc2)cc1OC ZINC000020112697 553694800 /nfs/dbraw/zinc/69/48/00/553694800.db2.gz OWONYQNWQGOYET-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000020112728 553694856 /nfs/dbraw/zinc/69/48/56/553694856.db2.gz VCBVJYILEOLCLY-DEOSSOPVSA-N 1 2 508.987 3.798 40 0 KHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000020112730 553694776 /nfs/dbraw/zinc/69/47/76/553694776.db2.gz VCBVJYILEOLCLY-XMMPIXPASA-N 1 2 508.987 3.798 40 0 KHABLO COC(=O)c1ccc(N2C(=O)C[C@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000020220805 553616062 /nfs/dbraw/zinc/61/60/62/553616062.db2.gz ZXFYECGBPKSUFM-VWLOTQADSA-N 1 2 519.548 3.791 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000020440358 553649245 /nfs/dbraw/zinc/64/92/45/553649245.db2.gz IIPXIDATKIXOBE-VDNWNZSNSA-N 1 2 504.743 3.673 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000020440358 553649242 /nfs/dbraw/zinc/64/92/42/553649242.db2.gz IIPXIDATKIXOBE-VDNWNZSNSA-N 1 2 504.743 3.673 40 0 KHABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1OC ZINC000020459162 553654318 /nfs/dbraw/zinc/65/43/18/553654318.db2.gz LBUXWYGFQIKSGB-UHFFFAOYSA-N 1 2 506.584 3.645 40 0 KHABLO CN(C)S(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)c1ccccc1F ZINC000020460329 553655110 /nfs/dbraw/zinc/65/51/10/553655110.db2.gz TUJSZUTWSVADOR-UHFFFAOYSA-N 1 2 507.591 3.754 40 0 KHABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)cc1OC ZINC000020460839 553655501 /nfs/dbraw/zinc/65/55/01/553655501.db2.gz VLSKGAHEFIUMLK-UHFFFAOYSA-N 1 2 506.584 3.645 40 0 KHABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020462250 553656116 /nfs/dbraw/zinc/65/61/16/553656116.db2.gz GODLCQGLNLFUJL-UHFFFAOYSA-N 1 2 508.575 3.922 40 0 KHABLO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000020462649 553656344 /nfs/dbraw/zinc/65/63/44/553656344.db2.gz ARLBQKNSTMONQA-UHFFFAOYSA-N 1 2 503.599 3.761 40 0 KHABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1N1CCCC1=O ZINC000020491907 553665417 /nfs/dbraw/zinc/66/54/17/553665417.db2.gz SJIZACVAXCPOCB-UHFFFAOYSA-N 1 2 505.640 3.918 40 0 KHABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020494923 553667389 /nfs/dbraw/zinc/66/73/89/553667389.db2.gz TYQCHNJYSUCHCW-UHFFFAOYSA-N 1 2 514.003 3.828 40 0 KHABLO O=C1c2ccccc2C(=O)N1[C@H](Cc1ccccc1)c1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000020510182 553668344 /nfs/dbraw/zinc/66/83/44/553668344.db2.gz HIPRHCUHHJFDNW-HHHXNRCGSA-N 1 2 522.605 3.699 40 0 KHABLO O=C1c2ccccc2C(=O)N1[C@@H](Cc1ccccc1)c1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000020510185 553668468 /nfs/dbraw/zinc/66/84/68/553668468.db2.gz HIPRHCUHHJFDNW-MHZLTWQESA-N 1 2 522.605 3.699 40 0 KHABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(OC)c(OC)c1 ZINC000020797664 553698048 /nfs/dbraw/zinc/69/80/48/553698048.db2.gz XUBCFHZWPUPMCR-UHFFFAOYSA-N 1 2 500.603 3.637 40 0 KHABLO CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022231400 553728196 /nfs/dbraw/zinc/72/81/96/553728196.db2.gz QURKAAIPJZCCCJ-MDWZMJQESA-N 1 2 519.667 3.889 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022246968 553730269 /nfs/dbraw/zinc/73/02/69/553730269.db2.gz AUHBBJYXBMBARW-SPNSGGJLSA-N 1 2 533.694 3.751 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022246971 553730367 /nfs/dbraw/zinc/73/03/67/553730367.db2.gz AUHBBJYXBMBARW-WKMZLRSWSA-N 1 2 533.694 3.751 40 0 KHABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022247136 553730233 /nfs/dbraw/zinc/73/02/33/553730233.db2.gz RRPCAMURMHHJHF-VYTBZZOSSA-N 1 2 507.631 3.573 40 0 KHABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022247138 553730361 /nfs/dbraw/zinc/73/03/61/553730361.db2.gz RRPCAMURMHHJHF-LDOPOZNOSA-N 1 2 507.631 3.573 40 0 KHABLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000022247289 553730643 /nfs/dbraw/zinc/73/06/43/553730643.db2.gz QDMWIPQBATUEPQ-CWBDRXANSA-N 1 2 533.694 3.751 40 0 KHABLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000022247292 553730590 /nfs/dbraw/zinc/73/05/90/553730590.db2.gz QDMWIPQBATUEPQ-LZZUIANGSA-N 1 2 533.694 3.751 40 0 KHABLO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022247861 553731208 /nfs/dbraw/zinc/73/12/08/553731208.db2.gz VVFFSCFODBMEKK-PTIDKISKSA-N 1 2 533.694 3.833 40 0 KHABLO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022247865 553731196 /nfs/dbraw/zinc/73/11/96/553731196.db2.gz VVFFSCFODBMEKK-XWIHLEKXSA-N 1 2 533.694 3.833 40 0 KHABLO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022249062 553731459 /nfs/dbraw/zinc/73/14/59/553731459.db2.gz JYYGLUFXVBRHTG-DHZHZOJOSA-N 1 2 506.068 3.607 40 0 KHABLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253636 553731867 /nfs/dbraw/zinc/73/18/67/553731867.db2.gz BEAUTOLDEZCOLB-UHFFFAOYSA-N 1 2 523.655 3.628 40 0 KHABLO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431343 553741337 /nfs/dbraw/zinc/74/13/37/553741337.db2.gz JAJWRFYCUHDKCB-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431347 553741383 /nfs/dbraw/zinc/74/13/83/553741383.db2.gz IRJUSBQWOQRWKG-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022431409 553741354 /nfs/dbraw/zinc/74/13/54/553741354.db2.gz LDUIUNPLOQVEKO-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000022431412 553741263 /nfs/dbraw/zinc/74/12/63/553741263.db2.gz FLLFOTVIHMXKOW-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO O=C(c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022514841 553743699 /nfs/dbraw/zinc/74/36/99/553743699.db2.gz BCQBJEFSCSIXBQ-UHFFFAOYSA-N 1 2 514.003 3.828 40 0 KHABLO CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(OC)cc1)N1CC[NH+]([C@H](c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584192 553747432 /nfs/dbraw/zinc/74/74/32/553747432.db2.gz PKWNYOSHQRJIRM-RNPORBBMSA-N 1 2 642.746 3.589 40 0 KHABLO CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(OC)cc1)[NH+]1CCN([C@H](c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584192 553747430 /nfs/dbraw/zinc/74/74/30/553747430.db2.gz PKWNYOSHQRJIRM-RNPORBBMSA-N 1 2 642.746 3.589 40 0 KHABLO CCOC(=O)C(C(=O)OCC)[C@H](c1ccc(OC)cc1)N1CC[NH+]([C@@H](c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584196 553747541 /nfs/dbraw/zinc/74/75/41/553747541.db2.gz PKWNYOSHQRJIRM-KYJUHHDHSA-N 1 2 642.746 3.589 40 0 KHABLO CCOC(=O)C(C(=O)OCC)[C@@H](c1ccc(OC)cc1)N1CC[NH+]([C@H](c2ccc(OC)cc2)C(C(=O)OCC)C(=O)OCC)CC1 ZINC000022584199 553747423 /nfs/dbraw/zinc/74/74/23/553747423.db2.gz PKWNYOSHQRJIRM-LOYHVIPDSA-N 1 2 642.746 3.589 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022802489 553751156 /nfs/dbraw/zinc/75/11/56/553751156.db2.gz YZOIKEMNVSDBIU-HHHXNRCGSA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022802494 553751011 /nfs/dbraw/zinc/75/10/11/553751011.db2.gz YZOIKEMNVSDBIU-MHZLTWQESA-N 1 2 543.672 3.912 40 0 KHABLO CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000022838235 553757519 /nfs/dbraw/zinc/75/75/19/553757519.db2.gz YNKFQNLZXYEQHA-HXUWFJFHSA-N 1 2 513.660 3.697 40 0 KHABLO CCOC(=O)c1c(NC(=O)CN2CCC[C@@H](C(=O)OCC)C2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000022838235 553757517 /nfs/dbraw/zinc/75/75/17/553757517.db2.gz YNKFQNLZXYEQHA-HXUWFJFHSA-N 1 2 513.660 3.697 40 0 KHABLO CCOC(=O)c1c(NC(=O)CN2CCC[C@H](C(=O)OCC)C2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000022838240 553757530 /nfs/dbraw/zinc/75/75/30/553757530.db2.gz YNKFQNLZXYEQHA-FQEVSTJZSA-N 1 2 513.660 3.697 40 0 KHABLO CCOC(=O)c1c(NC(=O)CN2CCC[C@H](C(=O)OCC)C2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000022838240 553757527 /nfs/dbraw/zinc/75/75/27/553757527.db2.gz YNKFQNLZXYEQHA-FQEVSTJZSA-N 1 2 513.660 3.697 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864678 553763223 /nfs/dbraw/zinc/76/32/23/553763223.db2.gz YNQVVIOEVOQKBE-HHHXNRCGSA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864684 553763153 /nfs/dbraw/zinc/76/31/53/553763153.db2.gz FXWQJDVLSSHHRQ-HHHXNRCGSA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864721 553763412 /nfs/dbraw/zinc/76/34/12/553763412.db2.gz PPSYVHJAMWMOGW-HHHXNRCGSA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864740 553763383 /nfs/dbraw/zinc/76/33/83/553763383.db2.gz YNQVVIOEVOQKBE-MHZLTWQESA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864747 553763475 /nfs/dbraw/zinc/76/34/75/553763475.db2.gz FXWQJDVLSSHHRQ-MHZLTWQESA-N 1 2 543.672 3.912 40 0 KHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022864791 553763487 /nfs/dbraw/zinc/76/34/87/553763487.db2.gz PPSYVHJAMWMOGW-MHZLTWQESA-N 1 2 543.672 3.912 40 0 KHABLO Cc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000022866229 553763404 /nfs/dbraw/zinc/76/34/04/553763404.db2.gz RDTCTPJQDHDUIT-NDEPHWFRSA-N 1 2 538.631 3.621 40 0 KHABLO Cc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000022866239 553763463 /nfs/dbraw/zinc/76/34/63/553763463.db2.gz RDTCTPJQDHDUIT-MUUNZHRXSA-N 1 2 538.631 3.621 40 0 KHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866274 553763396 /nfs/dbraw/zinc/76/33/96/553763396.db2.gz YBYOZQMEMKHRDQ-NDEPHWFRSA-N 1 2 557.655 3.664 40 0 KHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866322 553763442 /nfs/dbraw/zinc/76/34/42/553763442.db2.gz OMRQCIJVAVMJEB-PMERELPUSA-N 1 2 579.661 3.598 40 0 KHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866335 553763504 /nfs/dbraw/zinc/76/35/04/553763504.db2.gz YBYOZQMEMKHRDQ-MUUNZHRXSA-N 1 2 557.655 3.664 40 0 KHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866375 553763797 /nfs/dbraw/zinc/76/37/97/553763797.db2.gz OMRQCIJVAVMJEB-SSEXGKCCSA-N 1 2 579.661 3.598 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)CC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866391 553763769 /nfs/dbraw/zinc/76/37/69/553763769.db2.gz HNCFMETTXQEKDT-MHZLTWQESA-N 1 2 543.672 3.858 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866403 553763774 /nfs/dbraw/zinc/76/37/74/553763774.db2.gz CGDFSUVDGAQRNV-NDEPHWFRSA-N 1 2 541.656 3.828 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866489 553763716 /nfs/dbraw/zinc/76/37/16/553763716.db2.gz JMSFIBKVMQYLIU-PMERELPUSA-N 1 2 563.662 3.761 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866503 553763821 /nfs/dbraw/zinc/76/38/21/553763821.db2.gz HNCFMETTXQEKDT-HHHXNRCGSA-N 1 2 543.672 3.858 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866513 553763679 /nfs/dbraw/zinc/76/36/79/553763679.db2.gz CGDFSUVDGAQRNV-MUUNZHRXSA-N 1 2 541.656 3.828 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866606 553764029 /nfs/dbraw/zinc/76/40/29/553764029.db2.gz JMSFIBKVMQYLIU-SSEXGKCCSA-N 1 2 563.662 3.761 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869266 553764514 /nfs/dbraw/zinc/76/45/14/553764514.db2.gz XUFCOFVRLKZBJG-NDEPHWFRSA-N 1 2 557.655 3.664 40 0 KHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869315 553764328 /nfs/dbraw/zinc/76/43/28/553764328.db2.gz XUFCOFVRLKZBJG-MUUNZHRXSA-N 1 2 557.655 3.664 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869590 553764688 /nfs/dbraw/zinc/76/46/88/553764688.db2.gz YHGFGYPHPBGCCW-NDEPHWFRSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869657 553764598 /nfs/dbraw/zinc/76/45/98/553764598.db2.gz KOSVIIRURVXVDP-PMERELPUSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869669 553764638 /nfs/dbraw/zinc/76/46/38/553764638.db2.gz YHGFGYPHPBGCCW-MUUNZHRXSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869738 553764683 /nfs/dbraw/zinc/76/46/83/553764683.db2.gz KOSVIIRURVXVDP-SSEXGKCCSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869750 553764697 /nfs/dbraw/zinc/76/46/97/553764697.db2.gz AGEDGCFHWSKQQV-NDEPHWFRSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cc(C)c2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869814 553765040 /nfs/dbraw/zinc/76/50/40/553765040.db2.gz JJMYYSKGTLUVEE-PMERELPUSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869827 553765038 /nfs/dbraw/zinc/76/50/38/553765038.db2.gz AGEDGCFHWSKQQV-MUUNZHRXSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cc(C)c2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869887 553765024 /nfs/dbraw/zinc/76/50/24/553765024.db2.gz JJMYYSKGTLUVEE-SSEXGKCCSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870121 553764999 /nfs/dbraw/zinc/76/49/99/553764999.db2.gz GMWACFAWCDEPMB-NDEPHWFRSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870223 553765259 /nfs/dbraw/zinc/76/52/59/553765259.db2.gz GMWACFAWCDEPMB-MUUNZHRXSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022870331 553765226 /nfs/dbraw/zinc/76/52/26/553765226.db2.gz QCLMBPTVJAGRAQ-NDEPHWFRSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022870388 553765542 /nfs/dbraw/zinc/76/55/42/553765542.db2.gz YSRMZRPODJGUEK-PMERELPUSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022871603 553765573 /nfs/dbraw/zinc/76/55/73/553765573.db2.gz QCLMBPTVJAGRAQ-MUUNZHRXSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022871655 553765539 /nfs/dbraw/zinc/76/55/39/553765539.db2.gz YSRMZRPODJGUEK-SSEXGKCCSA-N 1 2 563.662 3.816 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022871691 553765518 /nfs/dbraw/zinc/76/55/18/553765518.db2.gz RCNJPGWFLYSQOV-NDEPHWFRSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022871715 553765530 /nfs/dbraw/zinc/76/55/30/553765530.db2.gz XIZVPYSVPAVRMB-LJAQVGFWSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022871736 553765588 /nfs/dbraw/zinc/76/55/88/553765588.db2.gz RCNJPGWFLYSQOV-MUUNZHRXSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022871763 553765580 /nfs/dbraw/zinc/76/55/80/553765580.db2.gz XIZVPYSVPAVRMB-GDLZYMKVSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871795 553765508 /nfs/dbraw/zinc/76/55/08/553765508.db2.gz RQSQXDHKEIEWKN-NDEPHWFRSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871836 553765793 /nfs/dbraw/zinc/76/57/93/553765793.db2.gz LOTGLUCTQWSYCJ-LJAQVGFWSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871847 553765812 /nfs/dbraw/zinc/76/58/12/553765812.db2.gz RQSQXDHKEIEWKN-MUUNZHRXSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022871887 553765843 /nfs/dbraw/zinc/76/58/43/553765843.db2.gz LOTGLUCTQWSYCJ-GDLZYMKVSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872705 553765796 /nfs/dbraw/zinc/76/57/96/553765796.db2.gz IXSLCLOCHCIOJB-NDEPHWFRSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872754 553765799 /nfs/dbraw/zinc/76/57/99/553765799.db2.gz IXSLCLOCHCIOJB-MUUNZHRXSA-N 1 2 541.656 3.882 40 0 KHABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000022872832 553766106 /nfs/dbraw/zinc/76/61/06/553766106.db2.gz MFVVFKPRQJDAAJ-NDEPHWFRSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1cccc2cc([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000022872863 553766074 /nfs/dbraw/zinc/76/60/74/553766074.db2.gz BOSCTZGYYJAADT-LJAQVGFWSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000022872892 553766211 /nfs/dbraw/zinc/76/62/11/553766211.db2.gz MFVVFKPRQJDAAJ-MUUNZHRXSA-N 1 2 541.656 3.964 40 0 KHABLO Cc1cccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c12 ZINC000022872922 553766062 /nfs/dbraw/zinc/76/60/62/553766062.db2.gz BOSCTZGYYJAADT-GDLZYMKVSA-N 1 2 549.635 3.507 40 0 KHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928429 553767331 /nfs/dbraw/zinc/76/73/31/553767331.db2.gz WIVUIUZXYLXLIB-MUUNZHRXSA-N 1 2 529.689 3.597 40 0 KHABLO Cc1cccc2cc(C[N@H+](CCN3CCOCC3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928429 553767330 /nfs/dbraw/zinc/76/73/30/553767330.db2.gz WIVUIUZXYLXLIB-MUUNZHRXSA-N 1 2 529.689 3.597 40 0 KHABLO Cc1cccc2cc(C[N@@H+](CCN3CCOCC3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928429 553767328 /nfs/dbraw/zinc/76/73/28/553767328.db2.gz WIVUIUZXYLXLIB-MUUNZHRXSA-N 1 2 529.689 3.597 40 0 KHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928431 553767385 /nfs/dbraw/zinc/76/73/85/553767385.db2.gz WIVUIUZXYLXLIB-NDEPHWFRSA-N 1 2 529.689 3.597 40 0 KHABLO Cc1cccc2cc(C[N@H+](CCN3CCOCC3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928431 553767384 /nfs/dbraw/zinc/76/73/84/553767384.db2.gz WIVUIUZXYLXLIB-NDEPHWFRSA-N 1 2 529.689 3.597 40 0 KHABLO Cc1cccc2cc(C[N@@H+](CCN3CCOCC3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000022928431 553767381 /nfs/dbraw/zinc/76/73/81/553767381.db2.gz WIVUIUZXYLXLIB-NDEPHWFRSA-N 1 2 529.689 3.597 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000022928490 553767829 /nfs/dbraw/zinc/76/78/29/553767829.db2.gz QTIRETCSCCWLAG-UHFFFAOYSA-N 1 2 535.693 3.632 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCN3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000022928490 553767827 /nfs/dbraw/zinc/76/78/27/553767827.db2.gz QTIRETCSCCWLAG-UHFFFAOYSA-N 1 2 535.693 3.632 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCN3CCOCC3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000022928490 553767824 /nfs/dbraw/zinc/76/78/24/553767824.db2.gz QTIRETCSCCWLAG-UHFFFAOYSA-N 1 2 535.693 3.632 40 0 KHABLO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000025767347 553813326 /nfs/dbraw/zinc/81/33/26/553813326.db2.gz DEWWOPSKGODDAU-HXUWFJFHSA-N 1 2 519.623 3.513 40 0 KHABLO C[C@H]1Cc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000025767352 553813278 /nfs/dbraw/zinc/81/32/78/553813278.db2.gz DEWWOPSKGODDAU-FQEVSTJZSA-N 1 2 519.623 3.513 40 0 KHABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)NC(C)C ZINC000026112325 553815603 /nfs/dbraw/zinc/81/56/03/553815603.db2.gz QADFVPRHRAXSMH-UHFFFAOYSA-N 1 2 507.656 3.929 40 0 KHABLO O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000026113365 553815836 /nfs/dbraw/zinc/81/58/36/553815836.db2.gz DXNCGDSNYNMFHD-CWBDRXANSA-N 1 2 517.651 3.642 40 0 KHABLO O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000026113372 553815930 /nfs/dbraw/zinc/81/59/30/553815930.db2.gz DXNCGDSNYNMFHD-LZZUIANGSA-N 1 2 517.651 3.642 40 0 KHABLO O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000028393527 553841771 /nfs/dbraw/zinc/84/17/71/553841771.db2.gz FEERXCVFQAXCNL-GDLZYMKVSA-N 1 2 570.706 3.606 40 0 KHABLO O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)C(=O)c1ccc(CN2CCOCC2)o1 ZINC000028393532 553841859 /nfs/dbraw/zinc/84/18/59/553841859.db2.gz FEERXCVFQAXCNL-LJAQVGFWSA-N 1 2 570.706 3.606 40 0 KHABLO O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000030757659 553857148 /nfs/dbraw/zinc/85/71/48/553857148.db2.gz FZEBYWRFBSIRHJ-UHFFFAOYSA-N 1 2 514.003 3.828 40 0 KHABLO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)c(OC)c1 ZINC000030867482 553859833 /nfs/dbraw/zinc/85/98/33/553859833.db2.gz AKLGDOCNGLLFOI-UHFFFAOYSA-N 1 2 511.600 3.589 40 0 KHABLO O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000031937976 553862292 /nfs/dbraw/zinc/86/22/92/553862292.db2.gz NJZPTUYWDYIUBD-UHFFFAOYSA-N 1 2 514.626 3.856 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936983 553978297 /nfs/dbraw/zinc/97/82/97/553978297.db2.gz HRVFKZRFGRXQNO-NOZRDPDXSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936983 553978293 /nfs/dbraw/zinc/97/82/93/553978293.db2.gz HRVFKZRFGRXQNO-NOZRDPDXSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936984 553978338 /nfs/dbraw/zinc/97/83/38/553978338.db2.gz HRVFKZRFGRXQNO-ILBGXUMGSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936984 553978336 /nfs/dbraw/zinc/97/83/36/553978336.db2.gz HRVFKZRFGRXQNO-ILBGXUMGSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936985 553978237 /nfs/dbraw/zinc/97/82/37/553978237.db2.gz ZXRXBVVVRCPQFP-RSXGOPAZSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936985 553978234 /nfs/dbraw/zinc/97/82/34/553978234.db2.gz ZXRXBVVVRCPQFP-RSXGOPAZSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936986 553978072 /nfs/dbraw/zinc/97/80/72/553978072.db2.gz ZXRXBVVVRCPQFP-AOYPEHQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936986 553978068 /nfs/dbraw/zinc/97/80/68/553978068.db2.gz ZXRXBVVVRCPQFP-AOYPEHQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937003 553978321 /nfs/dbraw/zinc/97/83/21/553978321.db2.gz XEQDGZNTDJUPIE-NOZRDPDXSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937003 553978318 /nfs/dbraw/zinc/97/83/18/553978318.db2.gz XEQDGZNTDJUPIE-NOZRDPDXSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937004 553978161 /nfs/dbraw/zinc/97/81/61/553978161.db2.gz XEQDGZNTDJUPIE-ILBGXUMGSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937004 553978158 /nfs/dbraw/zinc/97/81/58/553978158.db2.gz XEQDGZNTDJUPIE-ILBGXUMGSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937005 553978313 /nfs/dbraw/zinc/97/83/13/553978313.db2.gz SUFYMPOXLTWXBP-RSXGOPAZSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937005 553978310 /nfs/dbraw/zinc/97/83/10/553978310.db2.gz SUFYMPOXLTWXBP-RSXGOPAZSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937006 553978246 /nfs/dbraw/zinc/97/82/46/553978246.db2.gz SUFYMPOXLTWXBP-AOYPEHQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937006 553978243 /nfs/dbraw/zinc/97/82/43/553978243.db2.gz SUFYMPOXLTWXBP-AOYPEHQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000033937017 553978203 /nfs/dbraw/zinc/97/82/03/553978203.db2.gz AHNCOFSNSAUGHW-KNQAVFIVSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000033937017 553978200 /nfs/dbraw/zinc/97/82/00/553978200.db2.gz AHNCOFSNSAUGHW-KNQAVFIVSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000033937018 553978152 /nfs/dbraw/zinc/97/81/52/553978152.db2.gz AHNCOFSNSAUGHW-DENIHFKCSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000033937018 553978151 /nfs/dbraw/zinc/97/81/51/553978151.db2.gz AHNCOFSNSAUGHW-DENIHFKCSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937095 553978660 /nfs/dbraw/zinc/97/86/60/553978660.db2.gz IZLRCQBMTOWACV-VWNXMTODSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937095 553978658 /nfs/dbraw/zinc/97/86/58/553978658.db2.gz IZLRCQBMTOWACV-VWNXMTODSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937096 553978563 /nfs/dbraw/zinc/97/85/63/553978563.db2.gz IZLRCQBMTOWACV-ISKFKSNPSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937096 553978560 /nfs/dbraw/zinc/97/85/60/553978560.db2.gz IZLRCQBMTOWACV-ISKFKSNPSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937109 553978980 /nfs/dbraw/zinc/97/89/80/553978980.db2.gz ZALHTMDKRYWOHA-GGAORHGYSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937109 553978978 /nfs/dbraw/zinc/97/89/78/553978978.db2.gz ZALHTMDKRYWOHA-GGAORHGYSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937110 553978842 /nfs/dbraw/zinc/97/88/42/553978842.db2.gz ZALHTMDKRYWOHA-FYYLOGMGSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937110 553978841 /nfs/dbraw/zinc/97/88/41/553978841.db2.gz ZALHTMDKRYWOHA-FYYLOGMGSA-N 1 2 520.565 3.715 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937117 553978859 /nfs/dbraw/zinc/97/88/59/553978859.db2.gz TXBHXBZIMGWNHJ-VWNXMTODSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937117 553978856 /nfs/dbraw/zinc/97/88/56/553978856.db2.gz TXBHXBZIMGWNHJ-VWNXMTODSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937118 553978930 /nfs/dbraw/zinc/97/89/30/553978930.db2.gz TXBHXBZIMGWNHJ-ISKFKSNPSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937118 553978928 /nfs/dbraw/zinc/97/89/28/553978928.db2.gz TXBHXBZIMGWNHJ-ISKFKSNPSA-N 1 2 516.602 3.884 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937167 553978869 /nfs/dbraw/zinc/97/88/69/553978869.db2.gz RMLBWUALLZSQPH-NQIIRXRSSA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937167 553978866 /nfs/dbraw/zinc/97/88/66/553978866.db2.gz RMLBWUALLZSQPH-NQIIRXRSSA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937168 553978953 /nfs/dbraw/zinc/97/89/53/553978953.db2.gz RMLBWUALLZSQPH-WIYYLYMNSA-N 1 2 508.604 3.637 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000033937168 553978952 /nfs/dbraw/zinc/97/89/52/553978952.db2.gz RMLBWUALLZSQPH-WIYYLYMNSA-N 1 2 508.604 3.637 40 0 KHABLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000034001955 553980282 /nfs/dbraw/zinc/98/02/82/553980282.db2.gz ZMELOYOKMZBMRB-DLBZAZTESA-N 1 2 513.013 3.977 40 0 investigational KHABLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl ZINC000034001955 553980278 /nfs/dbraw/zinc/98/02/78/553980278.db2.gz ZMELOYOKMZBMRB-DLBZAZTESA-N 1 2 513.013 3.977 40 0 investigational KHABLO O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CC[NH+]1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000035767879 554071970 /nfs/dbraw/zinc/07/19/70/554071970.db2.gz RXEDVAGAHBXFDH-ALFLXDJESA-N 1 2 513.461 3.502 40 0 KHABLO CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]3CC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000035973863 291803925 /nfs/dbraw/zinc/80/39/25/291803925.db2.gz PQGBGJSAIMCWJR-RPPYQJPISA-N 1 2 612.837 3.947 40 0 biogenic,in-vitro KHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000038755771 554276645 /nfs/dbraw/zinc/27/66/45/554276645.db2.gz BHJQTJMSAKGBTF-DEOSSOPVSA-N 1 2 508.987 3.798 40 0 KHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2O1 ZINC000038755773 554276567 /nfs/dbraw/zinc/27/65/67/554276567.db2.gz BHJQTJMSAKGBTF-XMMPIXPASA-N 1 2 508.987 3.798 40 0 KHABLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000039986577 554281878 /nfs/dbraw/zinc/28/18/78/554281878.db2.gz MKJNQXYWUVGSMI-DHZHZOJOSA-N 1 2 506.068 3.607 40 0 KHABLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000043203371 554298120 /nfs/dbraw/zinc/29/81/20/554298120.db2.gz AZAANWYREOQRFB-SETSBSEESA-N 1 2 557.601 3.773 40 0 investigational KHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2)cc1 ZINC000044904046 554309442 /nfs/dbraw/zinc/30/94/42/554309442.db2.gz FPECLRLDTYQBOE-UHFFFAOYSA-N 1 2 508.575 3.922 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640992 554361377 /nfs/dbraw/zinc/36/13/77/554361377.db2.gz HRVFKZRFGRXQNO-ZCYQVOJMSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640992 554361373 /nfs/dbraw/zinc/36/13/73/554361373.db2.gz HRVFKZRFGRXQNO-ZCYQVOJMSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640994 554361357 /nfs/dbraw/zinc/36/13/57/554361357.db2.gz HRVFKZRFGRXQNO-UKILVPOCSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640994 554361354 /nfs/dbraw/zinc/36/13/54/554361354.db2.gz HRVFKZRFGRXQNO-UKILVPOCSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640998 554361259 /nfs/dbraw/zinc/36/12/59/554361259.db2.gz ZXRXBVVVRCPQFP-AHWVRZQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640998 554361257 /nfs/dbraw/zinc/36/12/57/554361257.db2.gz ZXRXBVVVRCPQFP-AHWVRZQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641001 554361539 /nfs/dbraw/zinc/36/15/39/554361539.db2.gz ZXRXBVVVRCPQFP-AZGAKELHSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641001 554361535 /nfs/dbraw/zinc/36/15/35/554361535.db2.gz ZXRXBVVVRCPQFP-AZGAKELHSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641045 554361405 /nfs/dbraw/zinc/36/14/05/554361405.db2.gz BFNYWBXDDLRQNE-ZCYQVOJMSA-N 1 2 506.582 3.843 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641045 554361402 /nfs/dbraw/zinc/36/14/02/554361402.db2.gz BFNYWBXDDLRQNE-ZCYQVOJMSA-N 1 2 506.582 3.843 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641049 554361395 /nfs/dbraw/zinc/36/13/95/554361395.db2.gz BFNYWBXDDLRQNE-UKILVPOCSA-N 1 2 506.582 3.843 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641049 554361392 /nfs/dbraw/zinc/36/13/92/554361392.db2.gz BFNYWBXDDLRQNE-UKILVPOCSA-N 1 2 506.582 3.843 40 0 KHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641057 554361528 /nfs/dbraw/zinc/36/15/28/554361528.db2.gz JAFDDMIHNQKLLL-AHWVRZQESA-N 1 2 502.619 3.898 40 0 KHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641057 554361523 /nfs/dbraw/zinc/36/15/23/554361523.db2.gz JAFDDMIHNQKLLL-AHWVRZQESA-N 1 2 502.619 3.898 40 0 KHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641061 554361414 /nfs/dbraw/zinc/36/14/14/554361414.db2.gz JAFDDMIHNQKLLL-AZGAKELHSA-N 1 2 502.619 3.898 40 0 KHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641061 554361412 /nfs/dbraw/zinc/36/14/12/554361412.db2.gz JAFDDMIHNQKLLL-AZGAKELHSA-N 1 2 502.619 3.898 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641166 554361885 /nfs/dbraw/zinc/36/18/85/554361885.db2.gz XEQDGZNTDJUPIE-ZCYQVOJMSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641166 554361883 /nfs/dbraw/zinc/36/18/83/554361883.db2.gz XEQDGZNTDJUPIE-ZCYQVOJMSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641171 554361776 /nfs/dbraw/zinc/36/17/76/554361776.db2.gz XEQDGZNTDJUPIE-UKILVPOCSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641171 554361774 /nfs/dbraw/zinc/36/17/74/554361774.db2.gz XEQDGZNTDJUPIE-UKILVPOCSA-N 1 2 506.582 3.995 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641174 554361746 /nfs/dbraw/zinc/36/17/46/554361746.db2.gz SUFYMPOXLTWXBP-AHWVRZQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641174 554361745 /nfs/dbraw/zinc/36/17/45/554361745.db2.gz SUFYMPOXLTWXBP-AHWVRZQESA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641178 554361851 /nfs/dbraw/zinc/36/18/51/554361851.db2.gz SUFYMPOXLTWXBP-AZGAKELHSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641178 554361849 /nfs/dbraw/zinc/36/18/49/554361849.db2.gz SUFYMPOXLTWXBP-AZGAKELHSA-N 1 2 518.618 3.864 40 0 KHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641275 554361893 /nfs/dbraw/zinc/36/18/93/554361893.db2.gz BKQPQTZTWDVEEG-GMAHTHKFSA-N 1 2 508.623 3.923 40 0 KHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641275 554361891 /nfs/dbraw/zinc/36/18/91/554361891.db2.gz BKQPQTZTWDVEEG-GMAHTHKFSA-N 1 2 508.623 3.923 40 0 KHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641277 554361860 /nfs/dbraw/zinc/36/18/60/554361860.db2.gz BKQPQTZTWDVEEG-JTHBVZDNSA-N 1 2 508.623 3.923 40 0 KHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641277 554361857 /nfs/dbraw/zinc/36/18/57/554361857.db2.gz BKQPQTZTWDVEEG-JTHBVZDNSA-N 1 2 508.623 3.923 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641295 554361877 /nfs/dbraw/zinc/36/18/77/554361877.db2.gz AHNCOFSNSAUGHW-UGKGYDQZSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641295 554361874 /nfs/dbraw/zinc/36/18/74/554361874.db2.gz AHNCOFSNSAUGHW-UGKGYDQZSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641301 554361740 /nfs/dbraw/zinc/36/17/40/554361740.db2.gz AHNCOFSNSAUGHW-SIKLNZKXSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000057641301 554361739 /nfs/dbraw/zinc/36/17/39/554361739.db2.gz AHNCOFSNSAUGHW-SIKLNZKXSA-N 1 2 522.631 3.680 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641394 554362298 /nfs/dbraw/zinc/36/22/98/554362298.db2.gz VYYSZINDORMZMS-QHCPKHFHSA-N 1 2 506.607 3.640 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641394 554362294 /nfs/dbraw/zinc/36/22/94/554362294.db2.gz VYYSZINDORMZMS-QHCPKHFHSA-N 1 2 506.607 3.640 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641397 554362374 /nfs/dbraw/zinc/36/23/74/554362374.db2.gz VYYSZINDORMZMS-HSZRJFAPSA-N 1 2 506.607 3.640 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641397 554362372 /nfs/dbraw/zinc/36/23/72/554362372.db2.gz VYYSZINDORMZMS-HSZRJFAPSA-N 1 2 506.607 3.640 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641630 554362736 /nfs/dbraw/zinc/36/27/36/554362736.db2.gz ZKJYISBFVJQQHF-QHCPKHFHSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641630 554362733 /nfs/dbraw/zinc/36/27/33/554362733.db2.gz ZKJYISBFVJQQHF-QHCPKHFHSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641632 554362572 /nfs/dbraw/zinc/36/25/72/554362572.db2.gz ZKJYISBFVJQQHF-HSZRJFAPSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641632 554362571 /nfs/dbraw/zinc/36/25/71/554362571.db2.gz ZKJYISBFVJQQHF-HSZRJFAPSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641973 554362946 /nfs/dbraw/zinc/36/29/46/554362946.db2.gz RTGLBIJNTMCCMO-QHCPKHFHSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641973 554362944 /nfs/dbraw/zinc/36/29/44/554362944.db2.gz RTGLBIJNTMCCMO-QHCPKHFHSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641978 554363053 /nfs/dbraw/zinc/36/30/53/554363053.db2.gz RTGLBIJNTMCCMO-HSZRJFAPSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641978 554363049 /nfs/dbraw/zinc/36/30/49/554363049.db2.gz RTGLBIJNTMCCMO-HSZRJFAPSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642425 554363905 /nfs/dbraw/zinc/36/39/05/554363905.db2.gz OWSGUMPEABWZBF-QFIPXVFZSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642425 554363901 /nfs/dbraw/zinc/36/39/01/554363901.db2.gz OWSGUMPEABWZBF-QFIPXVFZSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642430 554363851 /nfs/dbraw/zinc/36/38/51/554363851.db2.gz OWSGUMPEABWZBF-JOCHJYFZSA-N 1 2 504.591 3.660 40 0 KHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642430 554363846 /nfs/dbraw/zinc/36/38/46/554363846.db2.gz OWSGUMPEABWZBF-JOCHJYFZSA-N 1 2 504.591 3.660 40 0 KHABLO CCCCCOc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3cccc(Br)c3)CC2)cc1 ZINC000059483258 554397099 /nfs/dbraw/zinc/39/70/99/554397099.db2.gz BPIHIDPZAIEUSQ-UHFFFAOYSA-N 1 2 531.495 3.891 40 0 KHABLO CCCCCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(Cc3cccc(Br)c3)CC2)cc1 ZINC000059483258 554397097 /nfs/dbraw/zinc/39/70/97/554397097.db2.gz BPIHIDPZAIEUSQ-UHFFFAOYSA-N 1 2 531.495 3.891 40 0 KHABLO Cc1ccc(OCC[NH+]2CCN(S(=O)(=O)c3ccc(C)c(N(C)S(=O)(=O)c4ccccc4)c3C)CC2)cc1 ZINC000059528106 554406751 /nfs/dbraw/zinc/40/67/51/554406751.db2.gz UAXUORRQWCMGSZ-UHFFFAOYSA-N 1 2 557.738 3.822 40 0 KHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccc(C)cc2)cc1 ZINC000059651221 554418248 /nfs/dbraw/zinc/41/82/48/554418248.db2.gz DLLITJSQGDEFPK-UHFFFAOYSA-N 1 2 551.665 3.662 40 0 KHABLO O=C(CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671385 554422218 /nfs/dbraw/zinc/42/22/18/554422218.db2.gz GTYOPCHEAQUXBE-ZWKOTPCHSA-N 1 2 528.881 3.812 40 0 KHABLO O=C(CSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671386 554422208 /nfs/dbraw/zinc/42/22/08/554422208.db2.gz GTYOPCHEAQUXBE-ROUUACIJSA-N 1 2 528.881 3.812 40 0 KHABLO O=C(CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671387 554422238 /nfs/dbraw/zinc/42/22/38/554422238.db2.gz GTYOPCHEAQUXBE-QZTJIDSGSA-N 1 2 528.881 3.812 40 0 KHABLO O=C(CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1 ZINC000059671388 554422263 /nfs/dbraw/zinc/42/22/63/554422263.db2.gz GTYOPCHEAQUXBE-MSOLQXFVSA-N 1 2 528.881 3.812 40 0 KHABLO O=C(C[C@@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780940 554429622 /nfs/dbraw/zinc/42/96/22/554429622.db2.gz RDAAPJCRNMVOPK-HHHXNRCGSA-N 1 2 562.070 3.610 40 0 KHABLO O=C(C[C@H]1C(=O)NCCN1C(=O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000059780946 554429540 /nfs/dbraw/zinc/42/95/40/554429540.db2.gz RDAAPJCRNMVOPK-MHZLTWQESA-N 1 2 562.070 3.610 40 0 KHABLO CCOC(=O)c1cnc(N2CCCCC2)nc1/C=C/c1cn(CCc2[nH]cc[nH+]2)c(=O)c2cnc(N3CCCCC3)nc12 ZINC000059781651 554429940 /nfs/dbraw/zinc/42/99/40/554429940.db2.gz ZNBSFRNWARVMSJ-MDZDMXLPSA-N 1 2 583.697 3.875 40 0 KHABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000059816371 554430715 /nfs/dbraw/zinc/43/07/15/554430715.db2.gz MHSCLRNBYMKJEL-UHFFFAOYSA-N 1 2 535.446 3.967 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000059852775 554452690 /nfs/dbraw/zinc/45/26/90/554452690.db2.gz NUTVCXHMWVGFKS-WEVVVXLNSA-N 1 2 546.531 3.849 40 0 KHABLO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000059853669 554454988 /nfs/dbraw/zinc/45/49/88/554454988.db2.gz ZKFFPGBDIZSHKJ-UHFFFAOYSA-N 1 2 572.428 3.989 40 0 KHABLO CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059928548 554476624 /nfs/dbraw/zinc/47/66/24/554476624.db2.gz MTWOUODNUKNCJY-UHFFFAOYSA-N 1 2 572.083 3.758 40 0 KHABLO CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000059928918 554477207 /nfs/dbraw/zinc/47/72/07/554477207.db2.gz MEPBTGQPURAPGQ-UHFFFAOYSA-N 1 2 572.083 3.758 40 0 KHABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059929286 554477844 /nfs/dbraw/zinc/47/78/44/554477844.db2.gz ODEVVJISLKDQCB-QHCPKHFHSA-N 1 2 576.502 3.956 40 0 KHABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000059929298 554477862 /nfs/dbraw/zinc/47/78/62/554477862.db2.gz ODEVVJISLKDQCB-HSZRJFAPSA-N 1 2 576.502 3.956 40 0 KHABLO Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000059929337 554477860 /nfs/dbraw/zinc/47/78/60/554477860.db2.gz XAXNIWBXDOYANM-SANMLTNESA-N 1 2 549.693 3.575 40 0 KHABLO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000059929345 554477853 /nfs/dbraw/zinc/47/78/53/554477853.db2.gz XAXNIWBXDOYANM-AREMUKBSSA-N 1 2 549.693 3.575 40 0 KHABLO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059930195 554479411 /nfs/dbraw/zinc/47/94/11/554479411.db2.gz ZAGRLHGKWXFUQQ-VWLOTQADSA-N 1 2 586.110 3.701 40 0 KHABLO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1Cl ZINC000059930199 554479396 /nfs/dbraw/zinc/47/93/96/554479396.db2.gz ZAGRLHGKWXFUQQ-RUZDIDTESA-N 1 2 586.110 3.701 40 0 KHABLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931185 554481401 /nfs/dbraw/zinc/48/14/01/554481401.db2.gz HJPYMPSCISEYSW-UHFFFAOYSA-N 1 2 541.645 3.767 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000060028742 554495063 /nfs/dbraw/zinc/49/50/63/554495063.db2.gz UPGFTWOJJPHWRO-QPJJXVBHSA-N 1 2 546.531 3.849 40 0 KHABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000060028905 554496957 /nfs/dbraw/zinc/49/69/57/554496957.db2.gz LOGZUPFIXZOUMW-UHFFFAOYSA-N 1 2 550.637 3.800 40 0 KHABLO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000060060727 554500523 /nfs/dbraw/zinc/50/05/23/554500523.db2.gz QNFKLVXTWXGWCU-UHFFFAOYSA-N 1 2 572.428 3.989 40 0 KHABLO COc1ccc(S(=O)(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(c4cccc[nH+]4)CC3)C[C@H]2C(C)C)cc1 ZINC000067890454 554534841 /nfs/dbraw/zinc/53/48/41/554534841.db2.gz ZFYUWMAEJBFZQW-DPZBCOQUSA-N 1 2 540.730 3.962 40 0 biogenic,in-vitro KHABLO COc1ccc2c(c1)[C@H]1CN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000070672909 553603068 /nfs/dbraw/zinc/60/30/68/553603068.db2.gz RQHUJPUEXQLHJP-FGUUHEIUSA-N 1 2 536.632 3.701 40 0 KHABLO COc1ccc2c(c1)[C@H]1CN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@@H]1N2 ZINC000070672909 553603066 /nfs/dbraw/zinc/60/30/66/553603066.db2.gz RQHUJPUEXQLHJP-FGUUHEIUSA-N 1 2 536.632 3.701 40 0 KHABLO COc1ccc2c(c1)[C@H]1CN(C(=O)C[N@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@H]1N2 ZINC000070672916 553603125 /nfs/dbraw/zinc/60/31/25/553603125.db2.gz RQHUJPUEXQLHJP-CMYDWJSCSA-N 1 2 536.632 3.701 40 0 KHABLO COc1ccc2c(c1)[C@H]1CN(C(=O)C[N@@H+]3CCc4ccccc4[C@@H]3CN3C(=O)c4ccccc4C3=O)CC[C@H]1N2 ZINC000070672916 553603122 /nfs/dbraw/zinc/60/31/22/553603122.db2.gz RQHUJPUEXQLHJP-CMYDWJSCSA-N 1 2 536.632 3.701 40 0 KHABLO CC(C)c1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330365 553649389 /nfs/dbraw/zinc/64/93/89/553649389.db2.gz TYSSDOSRRAGTPQ-UCRLTYHRSA-N 1 2 538.648 3.903 40 0 KHABLO CC(C)c1ccc(C[C@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330365 553649386 /nfs/dbraw/zinc/64/93/86/553649386.db2.gz TYSSDOSRRAGTPQ-UCRLTYHRSA-N 1 2 538.648 3.903 40 0 KHABLO CC(C)c1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330366 553649430 /nfs/dbraw/zinc/64/94/30/553649430.db2.gz TYSSDOSRRAGTPQ-DMJMRQRGSA-N 1 2 538.648 3.903 40 0 KHABLO CC(C)c1ccc(C[C@@]2(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000072330366 553649428 /nfs/dbraw/zinc/64/94/28/553649428.db2.gz TYSSDOSRRAGTPQ-DMJMRQRGSA-N 1 2 538.648 3.903 40 0 KHABLO COc1cc2[nH]c(=O)c(CNc3ccc(N4CCN(c5cccc[nH+]5)CC4)cc3)cc2c(OC)c1OC ZINC000072336298 553650928 /nfs/dbraw/zinc/65/09/28/553650928.db2.gz BSMBEOBFZWSFLR-UHFFFAOYSA-N 1 2 501.587 3.888 40 0 KHABLO N=C(NC(=[NH2+])Nc1ccc(Br)cc1)Nc1cccc(S(=O)(=O)Nc2ncc(Cl)cn2)c1 ZINC000072430705 553652135 /nfs/dbraw/zinc/65/21/35/553652135.db2.gz LIRSHZWMUDCMMD-UHFFFAOYSA-N 1 2 523.804 3.676 40 0 KHABLO Cn1c2cccc3c2c(c1NC(=O)CN1CC[NH+](Cc2ccc4c(c2)OCO4)CC1)-c1ccccc1C3=O ZINC000085409606 553680073 /nfs/dbraw/zinc/68/00/73/553680073.db2.gz WEQUFBCIXODZBG-UHFFFAOYSA-N 1 2 508.578 3.875 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000085577251 553684429 /nfs/dbraw/zinc/68/44/29/553684429.db2.gz BDLARIQIBCQXJC-CPCREDONSA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000085577251 553684427 /nfs/dbraw/zinc/68/44/27/553684427.db2.gz BDLARIQIBCQXJC-CPCREDONSA-N 1 2 650.736 3.747 40 0 KHABLO C[C@@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@@H](C)C[N@H+]1Cc1ccc(F)cc1 ZINC000095567217 553704648 /nfs/dbraw/zinc/70/46/48/553704648.db2.gz ZMELOYOKMZBMRB-SJORKVTESA-N 1 2 513.013 3.977 40 0 KHABLO C[C@@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@@H](C)C[N@@H+]1Cc1ccc(F)cc1 ZINC000095567217 553704647 /nfs/dbraw/zinc/70/46/47/553704647.db2.gz ZMELOYOKMZBMRB-SJORKVTESA-N 1 2 513.013 3.977 40 0 KHABLO COc1ccc(C(=O)N/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000097965932 553906463 /nfs/dbraw/zinc/90/64/63/553906463.db2.gz ZUYCTJDITUPJGR-IADYIPOJSA-N 1 2 551.647 3.767 40 0 KHABLO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000097986871 554026431 /nfs/dbraw/zinc/02/64/31/554026431.db2.gz XIFHMILILHFJOL-UHFFFAOYSA-N 1 2 571.081 3.902 40 0 KHABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(I)ccc1I ZINC000100317802 554303596 /nfs/dbraw/zinc/30/35/96/554303596.db2.gz ODYPCEAHGMPIEB-UHFFFAOYSA-N 1 2 548.162 3.980 40 0 KHABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc(I)ccc1I ZINC000100318439 554303867 /nfs/dbraw/zinc/30/38/67/554303867.db2.gz VOUZDSXQSFNFLI-UHFFFAOYSA-N 1 2 607.255 3.855 40 0 KHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1 ZINC000100346580 554330250 /nfs/dbraw/zinc/33/02/50/554330250.db2.gz RWFKLJDTPIEXPL-UHFFFAOYSA-N 1 2 538.655 3.776 40 0 KHABLO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)cc1 ZINC000100346584 554330279 /nfs/dbraw/zinc/33/02/79/554330279.db2.gz HBYLCRHAKPNXLQ-UHFFFAOYSA-N 1 2 526.644 3.585 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000100354990 554334732 /nfs/dbraw/zinc/33/47/32/554334732.db2.gz UTBUAKLJUUJXAT-HKBQPEDESA-N 1 2 577.689 3.956 40 0 KHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000100354993 554334628 /nfs/dbraw/zinc/33/46/28/554334628.db2.gz UTBUAKLJUUJXAT-WJOKGBTCSA-N 1 2 577.689 3.956 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368598 193904772 /nfs/dbraw/zinc/90/47/72/193904772.db2.gz ZRUIFSDNLJTCAA-UHFFFAOYSA-N 1 2 548.644 3.909 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368598 193904768 /nfs/dbraw/zinc/90/47/68/193904768.db2.gz ZRUIFSDNLJTCAA-UHFFFAOYSA-N 1 2 548.644 3.909 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368645 554354793 /nfs/dbraw/zinc/35/47/93/554354793.db2.gz SXJTYWYOYAEPPJ-UHFFFAOYSA-N 1 2 570.650 3.842 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368645 554354792 /nfs/dbraw/zinc/35/47/92/554354792.db2.gz SXJTYWYOYAEPPJ-UHFFFAOYSA-N 1 2 570.650 3.842 40 0 KHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368777 554354937 /nfs/dbraw/zinc/35/49/37/554354937.db2.gz XGGTVJDVARKLIT-UHFFFAOYSA-N 1 2 546.628 3.663 40 0 KHABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000100368777 554354933 /nfs/dbraw/zinc/35/49/33/554354933.db2.gz XGGTVJDVARKLIT-UHFFFAOYSA-N 1 2 546.628 3.663 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000100368910 554354807 /nfs/dbraw/zinc/35/48/07/554354807.db2.gz KDYXFJIDAAVPDI-UHFFFAOYSA-N 1 2 598.660 3.605 40 0 KHABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000100368910 554354805 /nfs/dbraw/zinc/35/48/05/554354805.db2.gz KDYXFJIDAAVPDI-UHFFFAOYSA-N 1 2 598.660 3.605 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369797 554355923 /nfs/dbraw/zinc/35/59/23/554355923.db2.gz AXVGOLATPWLUBN-LADGPHEKSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369797 554355920 /nfs/dbraw/zinc/35/59/20/554355920.db2.gz AXVGOLATPWLUBN-LADGPHEKSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369800 554355902 /nfs/dbraw/zinc/35/59/02/554355902.db2.gz AXVGOLATPWLUBN-VWNXMTODSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369800 554355901 /nfs/dbraw/zinc/35/59/01/554355901.db2.gz AXVGOLATPWLUBN-VWNXMTODSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369804 554355782 /nfs/dbraw/zinc/35/57/82/554355782.db2.gz AXVGOLATPWLUBN-ISKFKSNPSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000100369804 554355779 /nfs/dbraw/zinc/35/57/79/554355779.db2.gz AXVGOLATPWLUBN-ISKFKSNPSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370211 554355799 /nfs/dbraw/zinc/35/57/99/554355799.db2.gz GBDZOIBRFHWCML-UPVQGACJSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370211 554355797 /nfs/dbraw/zinc/35/57/97/554355797.db2.gz GBDZOIBRFHWCML-UPVQGACJSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370214 554355912 /nfs/dbraw/zinc/35/59/12/554355912.db2.gz GBDZOIBRFHWCML-LADGPHEKSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370214 554355909 /nfs/dbraw/zinc/35/59/09/554355909.db2.gz GBDZOIBRFHWCML-LADGPHEKSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370217 554355841 /nfs/dbraw/zinc/35/58/41/554355841.db2.gz GBDZOIBRFHWCML-ISKFKSNPSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000100370217 554355838 /nfs/dbraw/zinc/35/58/38/554355838.db2.gz GBDZOIBRFHWCML-ISKFKSNPSA-N 1 2 532.601 3.584 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370539 554356113 /nfs/dbraw/zinc/35/61/13/554356113.db2.gz RRJCYXYFFLLAMJ-UPVQGACJSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370539 554356111 /nfs/dbraw/zinc/35/61/11/554356111.db2.gz RRJCYXYFFLLAMJ-UPVQGACJSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370543 554356145 /nfs/dbraw/zinc/35/61/45/554356145.db2.gz RRJCYXYFFLLAMJ-LADGPHEKSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370543 554356141 /nfs/dbraw/zinc/35/61/41/554356141.db2.gz RRJCYXYFFLLAMJ-LADGPHEKSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370547 554356102 /nfs/dbraw/zinc/35/61/02/554356102.db2.gz RRJCYXYFFLLAMJ-VWNXMTODSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370547 554356099 /nfs/dbraw/zinc/35/60/99/554356099.db2.gz RRJCYXYFFLLAMJ-VWNXMTODSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370550 554356169 /nfs/dbraw/zinc/35/61/69/554356169.db2.gz RRJCYXYFFLLAMJ-ISKFKSNPSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000100370550 554356167 /nfs/dbraw/zinc/35/61/67/554356167.db2.gz RRJCYXYFFLLAMJ-ISKFKSNPSA-N 1 2 534.592 3.757 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000100370673 554356153 /nfs/dbraw/zinc/35/61/53/554356153.db2.gz ARWGUFSXPXMPHG-UPVQGACJSA-N 1 2 534.592 3.606 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000100370673 554356152 /nfs/dbraw/zinc/35/61/52/554356152.db2.gz ARWGUFSXPXMPHG-UPVQGACJSA-N 1 2 534.592 3.606 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000100370676 554356195 /nfs/dbraw/zinc/35/61/95/554356195.db2.gz ARWGUFSXPXMPHG-LADGPHEKSA-N 1 2 534.592 3.606 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000100370676 554356193 /nfs/dbraw/zinc/35/61/93/554356193.db2.gz ARWGUFSXPXMPHG-LADGPHEKSA-N 1 2 534.592 3.606 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000100370912 554356435 /nfs/dbraw/zinc/35/64/35/554356435.db2.gz RETGPZFQOQDLKM-UPVQGACJSA-N 1 2 536.608 3.852 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000100370912 554356432 /nfs/dbraw/zinc/35/64/32/554356432.db2.gz RETGPZFQOQDLKM-UPVQGACJSA-N 1 2 536.608 3.852 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000100370915 554356453 /nfs/dbraw/zinc/35/64/53/554356453.db2.gz RETGPZFQOQDLKM-LADGPHEKSA-N 1 2 536.608 3.852 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000100370915 554356447 /nfs/dbraw/zinc/35/64/47/554356447.db2.gz RETGPZFQOQDLKM-LADGPHEKSA-N 1 2 536.608 3.852 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371282 554356942 /nfs/dbraw/zinc/35/69/42/554356942.db2.gz YEEHIGKUNFDJSD-LJAQVGFWSA-N 1 2 559.715 3.864 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371282 554356939 /nfs/dbraw/zinc/35/69/39/554356939.db2.gz YEEHIGKUNFDJSD-LJAQVGFWSA-N 1 2 559.715 3.864 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371284 554356821 /nfs/dbraw/zinc/35/68/21/554356821.db2.gz YEEHIGKUNFDJSD-GDLZYMKVSA-N 1 2 559.715 3.864 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371284 554356819 /nfs/dbraw/zinc/35/68/19/554356819.db2.gz YEEHIGKUNFDJSD-GDLZYMKVSA-N 1 2 559.715 3.864 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000100373523 554358399 /nfs/dbraw/zinc/35/83/99/554358399.db2.gz XNSKTFVFWSGJRH-UHFFFAOYSA-N 1 2 544.612 3.817 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000100373523 554358395 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CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100375343 554359496 /nfs/dbraw/zinc/35/94/96/554359496.db2.gz ZWFQNDCIFMYESL-UKILVPOCSA-N 1 2 546.628 3.975 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000100375343 554359493 /nfs/dbraw/zinc/35/94/93/554359493.db2.gz ZWFQNDCIFMYESL-UKILVPOCSA-N 1 2 546.628 3.975 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375348 554359647 /nfs/dbraw/zinc/35/96/47/554359647.db2.gz ZWFQNDCIFMYESL-NOZRDPDXSA-N 1 2 546.628 3.975 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375348 554359643 /nfs/dbraw/zinc/35/96/43/554359643.db2.gz ZWFQNDCIFMYESL-NOZRDPDXSA-N 1 2 546.628 3.975 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375354 554359603 /nfs/dbraw/zinc/35/96/03/554359603.db2.gz ZWFQNDCIFMYESL-ILBGXUMGSA-N 1 2 546.628 3.975 40 0 KHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000100375354 554359600 /nfs/dbraw/zinc/35/96/00/554359600.db2.gz ZWFQNDCIFMYESL-ILBGXUMGSA-N 1 2 546.628 3.975 40 0 KHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385574 554364536 /nfs/dbraw/zinc/36/45/36/554364536.db2.gz AKRADUSABNPDAS-DEOSSOPVSA-N 1 2 546.628 3.967 40 0 KHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385574 554364532 /nfs/dbraw/zinc/36/45/32/554364532.db2.gz AKRADUSABNPDAS-DEOSSOPVSA-N 1 2 546.628 3.967 40 0 KHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385576 554364557 /nfs/dbraw/zinc/36/45/57/554364557.db2.gz AKRADUSABNPDAS-XMMPIXPASA-N 1 2 546.628 3.967 40 0 KHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100385576 554364552 /nfs/dbraw/zinc/36/45/52/554364552.db2.gz AKRADUSABNPDAS-XMMPIXPASA-N 1 2 546.628 3.967 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389985 554366025 /nfs/dbraw/zinc/36/60/25/554366025.db2.gz IHGTYOIXDLWOMV-MHZLTWQESA-N 1 2 545.688 3.556 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389985 554366020 /nfs/dbraw/zinc/36/60/20/554366020.db2.gz IHGTYOIXDLWOMV-MHZLTWQESA-N 1 2 545.688 3.556 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389989 554365997 /nfs/dbraw/zinc/36/59/97/554365997.db2.gz IHGTYOIXDLWOMV-HHHXNRCGSA-N 1 2 545.688 3.556 40 0 KHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000100389989 554365990 /nfs/dbraw/zinc/36/59/90/554365990.db2.gz IHGTYOIXDLWOMV-HHHXNRCGSA-N 1 2 545.688 3.556 40 0 KHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000100390182 554366530 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O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000101091408 554582612 /nfs/dbraw/zinc/58/26/12/554582612.db2.gz BMCKFOUFCLGLHJ-VDNWNZSNSA-N 1 2 520.305 3.899 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000101091408 554582609 /nfs/dbraw/zinc/58/26/09/554582609.db2.gz BMCKFOUFCLGLHJ-VDNWNZSNSA-N 1 2 520.305 3.899 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101091411 554582574 /nfs/dbraw/zinc/58/25/74/554582574.db2.gz BMCKFOUFCLGLHJ-QSNWEANLSA-N 1 2 520.305 3.899 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101091411 554582573 /nfs/dbraw/zinc/58/25/73/554582573.db2.gz BMCKFOUFCLGLHJ-QSNWEANLSA-N 1 2 520.305 3.899 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000101091412 554582596 /nfs/dbraw/zinc/58/25/96/554582596.db2.gz BMCKFOUFCLGLHJ-BZDHPDOMSA-N 1 2 520.305 3.899 40 0 KHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000101091412 554582595 /nfs/dbraw/zinc/58/25/95/554582595.db2.gz BMCKFOUFCLGLHJ-BZDHPDOMSA-N 1 2 520.305 3.899 40 0 KHABLO Cc1cc(N2CCN(C(=O)[C@H]3CC[C@H](CNC(=O)CNC(=O)c4ccccc4)CC3)CC2)[nH+]c2ccccc12 ZINC000101435054 554772178 /nfs/dbraw/zinc/77/21/78/554772178.db2.gz ZIQAGLUIMSRRHQ-GUOBSTCESA-N 1 2 527.669 3.544 40 0 KHABLO COC(=O)c1ccc(N2C(=O)C[C@@H](N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000102407076 554921375 /nfs/dbraw/zinc/92/13/75/554921375.db2.gz ZXFYECGBPKSUFM-RUZDIDTESA-N 1 2 519.548 3.791 40 0 KHABLO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000102416475 1066884875 /nfs/dbraw/zinc/88/48/75/1066884875.db2.gz ZCGKGZHUZOPYFX-HXUWFJFHSA-N 1 2 528.472 3.924 40 0 KHABLO O=S(=O)(c1ccc(Br)cc1)N1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000102416476 1066884854 /nfs/dbraw/zinc/88/48/54/1066884854.db2.gz ZCGKGZHUZOPYFX-FQEVSTJZSA-N 1 2 528.472 3.924 40 0 KHABLO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425433 554925819 /nfs/dbraw/zinc/92/58/19/554925819.db2.gz ZOBUOKPWCAUBFK-LCTZGXPDSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@@H]1C(=O)N2CCC[C@@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425433 554925818 /nfs/dbraw/zinc/92/58/18/554925818.db2.gz ZOBUOKPWCAUBFK-LCTZGXPDSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425437 554925823 /nfs/dbraw/zinc/92/58/23/554925823.db2.gz ZOBUOKPWCAUBFK-JZICHPMNSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425437 554925822 /nfs/dbraw/zinc/92/58/22/554925822.db2.gz ZOBUOKPWCAUBFK-JZICHPMNSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@@H]1C(=O)N2CCC[C@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425439 554925831 /nfs/dbraw/zinc/92/58/31/554925831.db2.gz ZOBUOKPWCAUBFK-JXSMIKLSSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@@H]1C(=O)N2CCC[C@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425439 554925829 /nfs/dbraw/zinc/92/58/29/554925829.db2.gz ZOBUOKPWCAUBFK-JXSMIKLSSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425441 554925802 /nfs/dbraw/zinc/92/58/02/554925802.db2.gz ZOBUOKPWCAUBFK-FQXDEHITSA-N 1 2 638.607 3.873 40 0 KHABLO CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@H]2O[C@@](NC(=O)[C@H]3C=C4c5cccc6[nH]c(Br)c(c65)C[C@H]4[N@@H+](C)C3)(C(C)C)C(=O)N21 ZINC000102425441 554925801 /nfs/dbraw/zinc/92/58/01/554925801.db2.gz ZOBUOKPWCAUBFK-FQXDEHITSA-N 1 2 638.607 3.873 40 0 KHABLO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000103121570 555290685 /nfs/dbraw/zinc/29/06/85/555290685.db2.gz JNLWXNUPEATLCE-OTPAQWSUSA-N 1 2 586.784 3.868 40 0 KHABLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 ZINC000103760978 555471336 /nfs/dbraw/zinc/47/13/36/555471336.db2.gz AZAANWYREOQRFB-QCDSWUKFSA-N 1 2 557.601 3.773 40 0 KHABLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21 ZINC000103760981 555471386 /nfs/dbraw/zinc/47/13/86/555471386.db2.gz AZAANWYREOQRFB-FYBSXPHGSA-N 1 2 557.601 3.773 40 0 KHABLO O=C(CN1C(=O)C2(CCCC2)[NH2+]C[C@@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21 ZINC000103760984 555471354 /nfs/dbraw/zinc/47/13/54/555471354.db2.gz AZAANWYREOQRFB-RNAHPLFWSA-N 1 2 557.601 3.773 40 0 KHABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)NCC[NH+]3CCOCC3)cc2)cc1 ZINC000104406122 571380909 /nfs/dbraw/zinc/38/09/09/571380909.db2.gz RQEOOIMVYVFOSX-UHFFFAOYSA-N 1 2 558.100 3.871 40 0 KHABLO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000105508888 571406732 /nfs/dbraw/zinc/40/67/32/571406732.db2.gz ODASZSPSXOFSNB-UHFFFAOYSA-N 1 2 542.057 3.917 40 0 KHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000107632280 571420585 /nfs/dbraw/zinc/42/05/85/571420585.db2.gz RYZNEPFIFOUTMR-UHFFFAOYSA-N 1 2 565.736 3.994 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)Cc2ccccc2)cc1Cl ZINC000108034616 571422123 /nfs/dbraw/zinc/42/21/23/571422123.db2.gz RVSVQUUXNGCPRQ-UHFFFAOYSA-N 1 2 572.083 3.613 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C2CCCCC2)cc1Cl ZINC000108238788 571422794 /nfs/dbraw/zinc/42/27/94/571422794.db2.gz YZHFIYOSASVFPG-UHFFFAOYSA-N 1 2 564.104 3.745 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1cc(C)cc(C)c1 ZINC000108990476 571427960 /nfs/dbraw/zinc/42/79/60/571427960.db2.gz QREZNCJAQXDWKR-UHFFFAOYSA-N 1 2 565.692 3.889 40 0 KHABLO Cc1cccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000109060013 571428292 /nfs/dbraw/zinc/42/82/92/571428292.db2.gz RSBMRSIASMSHHY-UHFFFAOYSA-N 1 2 542.057 3.917 40 0 KHABLO CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000113569616 1066886509 /nfs/dbraw/zinc/88/65/09/1066886509.db2.gz BYUQATUKPXLFLZ-UIOOFZCWSA-N 1 2 578.799 3.733 40 0 KHABLO CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000113569616 1066886503 /nfs/dbraw/zinc/88/65/03/1066886503.db2.gz BYUQATUKPXLFLZ-UIOOFZCWSA-N 1 2 578.799 3.733 40 0 KHABLO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000137898659 571450874 /nfs/dbraw/zinc/45/08/74/571450874.db2.gz UMGDKJQQGXQTEY-UHFFFAOYSA-N 1 2 521.639 3.572 40 0 KHABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000140023319 571454481 /nfs/dbraw/zinc/45/44/81/571454481.db2.gz BRJQQJXOXTYBPT-UHFFFAOYSA-N 1 2 550.637 3.800 40 0 KHABLO Cc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000145601743 571456629 /nfs/dbraw/zinc/45/66/29/571456629.db2.gz OXQIHWZEZZSJGB-UHFFFAOYSA-N 1 2 521.639 3.572 40 0 KHABLO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000147805550 571456906 /nfs/dbraw/zinc/45/69/06/571456906.db2.gz OWDHZFLISPROGE-UHFFFAOYSA-N 1 2 551.665 3.580 40 0 KHABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(C)ccc2C)cc1 ZINC000148663923 571457022 /nfs/dbraw/zinc/45/70/22/571457022.db2.gz MZMCLCREGXBQIP-UHFFFAOYSA-N 1 2 535.666 3.880 40 0 KHABLO CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000150398029 571477112 /nfs/dbraw/zinc/47/71/12/571477112.db2.gz BDLARIQIBCQXJC-XWHIBYANSA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000150398029 571477111 /nfs/dbraw/zinc/47/71/11/571477111.db2.gz BDLARIQIBCQXJC-XWHIBYANSA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000150398032 571477154 /nfs/dbraw/zinc/47/71/54/571477154.db2.gz BDLARIQIBCQXJC-IWWXRALLSA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000150398032 571477152 /nfs/dbraw/zinc/47/71/52/571477152.db2.gz BDLARIQIBCQXJC-IWWXRALLSA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000150398035 571477180 /nfs/dbraw/zinc/47/71/80/571477180.db2.gz BDLARIQIBCQXJC-DCMFLLSESA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000150398035 571477179 /nfs/dbraw/zinc/47/71/79/571477179.db2.gz BDLARIQIBCQXJC-DCMFLLSESA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000150398037 571477162 /nfs/dbraw/zinc/47/71/62/571477162.db2.gz BDLARIQIBCQXJC-QAXCHELISA-N 1 2 650.736 3.747 40 0 KHABLO CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000150398037 571477161 /nfs/dbraw/zinc/47/71/61/571477161.db2.gz BDLARIQIBCQXJC-QAXCHELISA-N 1 2 650.736 3.747 40 0 KHABLO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4c(c5ccc(OC)cc5n4[N+](=O)[O-])CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000150402959 571478467 /nfs/dbraw/zinc/47/84/67/571478467.db2.gz RWXOJPNUXMEPLE-IBXHDFJSSA-N 1 2 653.685 3.684 40 0 KHABLO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4c(c5ccc(OC)cc5n4[N+](=O)[O-])CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000150402959 571478466 /nfs/dbraw/zinc/47/84/66/571478466.db2.gz RWXOJPNUXMEPLE-IBXHDFJSSA-N 1 2 653.685 3.684 40 0 KHABLO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4c(c5ccc(OC)cc5n4[N+](=O)[O-])CC[N@@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000150402962 571478489 /nfs/dbraw/zinc/47/84/89/571478489.db2.gz RWXOJPNUXMEPLE-CNBSJGBVSA-N 1 2 653.685 3.684 40 0 KHABLO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4c(c5ccc(OC)cc5n4[N+](=O)[O-])CC[N@H+]3C[C@H]2C[C@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000150402962 571478488 /nfs/dbraw/zinc/47/84/88/571478488.db2.gz RWXOJPNUXMEPLE-CNBSJGBVSA-N 1 2 653.685 3.684 40 0 KHABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2cc(C)cc(C)c2)cc1 ZINC000164345960 571546270 /nfs/dbraw/zinc/54/62/70/571546270.db2.gz UMFNOSLPUAZHQZ-UHFFFAOYSA-N 1 2 535.666 3.880 40 0 KHABLO CC[C@@H](c1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)n1Cc1ccccc1)[NH+](C)C ZINC000195529312 1066493657 /nfs/dbraw/zinc/49/36/57/1066493657.db2.gz JNLWXNUPEATLCE-WATLYSKOSA-N 1 2 586.784 3.868 40 0 KHABLO O=C(N/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000211411147 571576232 /nfs/dbraw/zinc/57/62/32/571576232.db2.gz LTVMBAIJRKXPCJ-NCELDCMTSA-N 1 2 620.753 3.833 40 0 KHABLO O=C(N/C(=C/c1ccc(SC(=S)N2CCOCC2)o1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000211411734 571576169 /nfs/dbraw/zinc/57/61/69/571576169.db2.gz MGZXJDSLWOEOGX-BSYVCWPDSA-N 1 2 563.705 3.504 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)cc2)cc1OC ZINC000216475313 571596893 /nfs/dbraw/zinc/59/68/93/571596893.db2.gz OWRJHFNLUFGHKA-UHFFFAOYSA-N 1 2 520.611 3.710 40 0 KHABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000216486468 571596790 /nfs/dbraw/zinc/59/67/90/571596790.db2.gz UHLXWVBOLNZAJT-UHFFFAOYSA-N 1 2 508.575 3.922 40 0 KHABLO COc1ccc([C@@H](CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000216510178 571597063 /nfs/dbraw/zinc/59/70/63/571597063.db2.gz ACEOPYFHMOMADP-AREMUKBSSA-N 1 2 551.665 3.520 40 0 KHABLO COc1ccc([C@H](CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000216510225 571596942 /nfs/dbraw/zinc/59/69/42/571596942.db2.gz ACEOPYFHMOMADP-SANMLTNESA-N 1 2 551.665 3.520 40 0 KHABLO CCN(c1ccc(OCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000216517009 571597192 /nfs/dbraw/zinc/59/71/92/571597192.db2.gz UEAJUEAIQPMIRQ-UHFFFAOYSA-N 1 2 551.665 3.662 40 0 KHABLO Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000222687296 571384391 /nfs/dbraw/zinc/38/43/91/571384391.db2.gz WNUVPZLLMHSLDH-UHFFFAOYSA-N 1 2 584.764 3.766 40 0 KHABLO Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CC[NH+](C)CC4)c3)cc2)S(C)(=O)=O)c1 ZINC000222790121 571397970 /nfs/dbraw/zinc/39/79/70/571397970.db2.gz YUHUEEYFWKITNG-UHFFFAOYSA-N 1 2 584.764 3.766 40 0 KHABLO C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222790645 571398064 /nfs/dbraw/zinc/39/80/64/571398064.db2.gz ZANCSTSSPYKPJF-QFIPXVFZSA-N 1 2 633.142 3.524 40 0 KHABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000222790697 571398026 /nfs/dbraw/zinc/39/80/26/571398026.db2.gz ZANCSTSSPYKPJF-JOCHJYFZSA-N 1 2 633.142 3.524 40 0 KHABLO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1OC ZINC000222913115 571412419 /nfs/dbraw/zinc/41/24/19/571412419.db2.gz XWGHAUZEFXOAQN-ULJHMMPZSA-N 1 2 521.639 3.685 40 0 KHABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc2Cl)CC1 ZINC000222974763 571418733 /nfs/dbraw/zinc/41/87/33/571418733.db2.gz IXQYDKYGSIATSB-UHFFFAOYSA-N 1 2 512.444 3.700 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223030864 571423548 /nfs/dbraw/zinc/42/35/48/571423548.db2.gz YZUMPCQDQOPVTM-MHZLTWQESA-N 1 2 536.072 3.807 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223030920 571423497 /nfs/dbraw/zinc/42/34/97/571423497.db2.gz YZUMPCQDQOPVTM-HHHXNRCGSA-N 1 2 536.072 3.807 40 0 KHABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223073267 571428228 /nfs/dbraw/zinc/42/82/28/571428228.db2.gz SCLNVWUPLDWEOO-NDEPHWFRSA-N 1 2 520.073 3.971 40 0 KHABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223073321 571428193 /nfs/dbraw/zinc/42/81/93/571428193.db2.gz SCLNVWUPLDWEOO-MUUNZHRXSA-N 1 2 520.073 3.971 40 0 KHABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223095152 571430459 /nfs/dbraw/zinc/43/04/59/571430459.db2.gz FIHOUPVUGKGPDI-HKBQPEDESA-N 1 2 641.234 3.659 40 0 KHABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223095212 571430443 /nfs/dbraw/zinc/43/04/43/571430443.db2.gz FIHOUPVUGKGPDI-WJOKGBTCSA-N 1 2 641.234 3.659 40 0 KHABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000223108432 571432133 /nfs/dbraw/zinc/43/21/33/571432133.db2.gz KFIFKCLXMOEUCJ-NDEPHWFRSA-N 1 2 580.125 3.988 40 0 KHABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1OC ZINC000223108492 571432161 /nfs/dbraw/zinc/43/21/61/571432161.db2.gz KFIFKCLXMOEUCJ-MUUNZHRXSA-N 1 2 580.125 3.988 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223113864 571432834 /nfs/dbraw/zinc/43/28/34/571432834.db2.gz AXTPWRBSNHZAPF-YTTGMZPUSA-N 1 2 653.245 3.802 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223113925 571432888 /nfs/dbraw/zinc/43/28/88/571432888.db2.gz AXTPWRBSNHZAPF-JGCGQSQUSA-N 1 2 653.245 3.802 40 0 KHABLO O=C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223137795 571435107 /nfs/dbraw/zinc/43/51/07/571435107.db2.gz VWWOIRKYEILYRU-NDEPHWFRSA-N 1 2 520.073 3.971 40 0 KHABLO O=C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223137859 571435096 /nfs/dbraw/zinc/43/50/96/571435096.db2.gz VWWOIRKYEILYRU-MUUNZHRXSA-N 1 2 520.073 3.971 40 0 KHABLO O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223148822 571436621 /nfs/dbraw/zinc/43/66/21/571436621.db2.gz GVRTWCKWPOXEPS-NDEPHWFRSA-N 1 2 536.072 3.807 40 0 KHABLO O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223148873 571436627 /nfs/dbraw/zinc/43/66/27/571436627.db2.gz GVRTWCKWPOXEPS-MUUNZHRXSA-N 1 2 536.072 3.807 40 0 KHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1CC[NH+]1CCOCC1 ZINC000223152190 571437061 /nfs/dbraw/zinc/43/70/61/571437061.db2.gz SFRDXHQJHDLSIE-XZOQPEGZSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1CC[NH+]1CCOCC1 ZINC000223152240 571437121 /nfs/dbraw/zinc/43/71/21/571437121.db2.gz SFRDXHQJHDLSIE-DHIUTWEWSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Br)c2)N1CC[NH+]1CCOCC1 ZINC000223152301 571437146 /nfs/dbraw/zinc/43/71/46/571437146.db2.gz SFRDXHQJHDLSIE-GOTSBHOMSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Br)c2)N1CC[NH+]1CCOCC1 ZINC000223152356 571437090 /nfs/dbraw/zinc/43/70/90/571437090.db2.gz SFRDXHQJHDLSIE-PKTZIBPZSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1CC[NH+]1CCOCC1 ZINC000223152444 571437132 /nfs/dbraw/zinc/43/71/32/571437132.db2.gz JLDJHGVSNTXQJR-XZOQPEGZSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1CC[NH+]1CCOCC1 ZINC000223152505 571437093 /nfs/dbraw/zinc/43/70/93/571437093.db2.gz JLDJHGVSNTXQJR-DHIUTWEWSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Br)cc2)N1CC[NH+]1CCOCC1 ZINC000223152555 571437078 /nfs/dbraw/zinc/43/70/78/571437078.db2.gz JLDJHGVSNTXQJR-GOTSBHOMSA-N 1 2 512.477 3.940 40 0 KHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Br)cc2)N1CC[NH+]1CCOCC1 ZINC000223152601 571437117 /nfs/dbraw/zinc/43/71/17/571437117.db2.gz JLDJHGVSNTXQJR-PKTZIBPZSA-N 1 2 512.477 3.940 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223170745 571440136 /nfs/dbraw/zinc/44/01/36/571440136.db2.gz SVPLPEVUJWUGQX-XIFFEERXSA-N 1 2 650.817 3.631 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223170800 571440220 /nfs/dbraw/zinc/44/02/20/571440220.db2.gz SVPLPEVUJWUGQX-MGBGTMOVSA-N 1 2 650.817 3.631 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223174540 571440888 /nfs/dbraw/zinc/44/08/88/571440888.db2.gz ZKQVYUISXFIJRX-MHZLTWQESA-N 1 2 554.062 3.946 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223174595 571440903 /nfs/dbraw/zinc/44/09/03/571440903.db2.gz ZKQVYUISXFIJRX-HHHXNRCGSA-N 1 2 554.062 3.946 40 0 KHABLO COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223209211 571445386 /nfs/dbraw/zinc/44/53/86/571445386.db2.gz LPHPLHAERLXOJM-JWQCQUIFSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223209278 571445365 /nfs/dbraw/zinc/44/53/65/571445365.db2.gz LPHPLHAERLXOJM-RPBOFIJWSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223209342 571445495 /nfs/dbraw/zinc/44/54/95/571445495.db2.gz LPHPLHAERLXOJM-LOSJGSFVSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)cc1 ZINC000223209416 571445488 /nfs/dbraw/zinc/44/54/88/571445488.db2.gz LPHPLHAERLXOJM-DQEYMECFSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c1 ZINC000223209492 571445508 /nfs/dbraw/zinc/44/55/08/571445508.db2.gz PESQSMIMQYCVJV-JWQCQUIFSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c1 ZINC000223209565 571445534 /nfs/dbraw/zinc/44/55/34/571445534.db2.gz PESQSMIMQYCVJV-RPBOFIJWSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c1 ZINC000223209621 571445519 /nfs/dbraw/zinc/44/55/19/571445519.db2.gz PESQSMIMQYCVJV-LOSJGSFVSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCC[NH+]3CCOCC3)o2)c1 ZINC000223209675 571445523 /nfs/dbraw/zinc/44/55/23/571445523.db2.gz PESQSMIMQYCVJV-DQEYMECFSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223209758 571445500 /nfs/dbraw/zinc/44/55/00/571445500.db2.gz TWHBPZZPXRIYDS-JWQCQUIFSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223209814 571445471 /nfs/dbraw/zinc/44/54/71/571445471.db2.gz TWHBPZZPXRIYDS-RPBOFIJWSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223209871 571445492 /nfs/dbraw/zinc/44/54/92/571445492.db2.gz TWHBPZZPXRIYDS-LOSJGSFVSA-N 1 2 506.628 3.823 40 0 KHABLO COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)o1 ZINC000223209922 571445466 /nfs/dbraw/zinc/44/54/66/571445466.db2.gz TWHBPZZPXRIYDS-DQEYMECFSA-N 1 2 506.628 3.823 40 0 KHABLO O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223212344 571445837 /nfs/dbraw/zinc/44/58/37/571445837.db2.gz SGWOSLYQWVDCFO-LJAQVGFWSA-N 1 2 517.645 3.847 40 0 KHABLO O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223212404 571445923 /nfs/dbraw/zinc/44/59/23/571445923.db2.gz SGWOSLYQWVDCFO-GDLZYMKVSA-N 1 2 517.645 3.847 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223241126 571449257 /nfs/dbraw/zinc/44/92/57/571449257.db2.gz RYOGVKZMJATXAZ-UMSFTDKQSA-N 1 2 662.853 3.501 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223241177 571449313 /nfs/dbraw/zinc/44/93/13/571449313.db2.gz RYOGVKZMJATXAZ-UUWRZZSWSA-N 1 2 662.853 3.501 40 0 KHABLO COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223245419 571449891 /nfs/dbraw/zinc/44/98/91/571449891.db2.gz XJNALYVFLPYQHJ-NDEPHWFRSA-N 1 2 566.098 3.816 40 0 KHABLO COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223245468 571449902 /nfs/dbraw/zinc/44/99/02/571449902.db2.gz XJNALYVFLPYQHJ-MUUNZHRXSA-N 1 2 566.098 3.816 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223283450 571454769 /nfs/dbraw/zinc/45/47/69/571454769.db2.gz AZIWMIFSTSTYSE-PMERELPUSA-N 1 2 529.681 3.716 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223283510 571454701 /nfs/dbraw/zinc/45/47/01/571454701.db2.gz AZIWMIFSTSTYSE-SSEXGKCCSA-N 1 2 529.681 3.716 40 0 KHABLO COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223287824 571455312 /nfs/dbraw/zinc/45/53/12/571455312.db2.gz MOJOXNPRKJAIGD-LJAQVGFWSA-N 1 2 550.099 3.980 40 0 KHABLO COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223287894 571455262 /nfs/dbraw/zinc/45/52/62/571455262.db2.gz MOJOXNPRKJAIGD-GDLZYMKVSA-N 1 2 550.099 3.980 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223314913 571459516 /nfs/dbraw/zinc/45/95/16/571459516.db2.gz SQNZDMLANFNYOQ-MGBGTMOVSA-N 1 2 618.800 3.622 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223314969 571459546 /nfs/dbraw/zinc/45/95/46/571459546.db2.gz SQNZDMLANFNYOQ-XIFFEERXSA-N 1 2 618.800 3.622 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223320079 571459990 /nfs/dbraw/zinc/45/99/90/571459990.db2.gz JJCZZAJIAXBFMV-MUUNZHRXSA-N 1 2 522.045 3.937 40 0 KHABLO O=C(COc1ccccc1Cl)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223320142 571460064 /nfs/dbraw/zinc/46/00/64/571460064.db2.gz JJCZZAJIAXBFMV-NDEPHWFRSA-N 1 2 522.045 3.937 40 0 KHABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3nnc(SCc4ccccc4)s3)ccc2Cl)CC1 ZINC000223337131 571462308 /nfs/dbraw/zinc/46/23/08/571462308.db2.gz YCPOUVQTFRSKRB-UHFFFAOYSA-N 1 2 524.093 3.672 40 0 KHABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223384248 571469153 /nfs/dbraw/zinc/46/91/53/571469153.db2.gz ZCOPZMKUEKTHOO-WJOKGBTCSA-N 1 2 627.207 3.789 40 0 KHABLO CCNS(=O)(=O)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223384310 571469199 /nfs/dbraw/zinc/46/91/99/571469199.db2.gz ZCOPZMKUEKTHOO-HKBQPEDESA-N 1 2 627.207 3.789 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223399273 571471514 /nfs/dbraw/zinc/47/15/14/571471514.db2.gz GXNRROHVSBLBIX-JGCGQSQUSA-N 1 2 639.218 3.932 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223399321 571471545 /nfs/dbraw/zinc/47/15/45/571471545.db2.gz GXNRROHVSBLBIX-YTTGMZPUSA-N 1 2 639.218 3.932 40 0 KHABLO O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223436899 571476386 /nfs/dbraw/zinc/47/63/86/571476386.db2.gz MYTHYTDKDXSSPO-MUUNZHRXSA-N 1 2 522.045 3.937 40 0 KHABLO O=C(COc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223436945 571476321 /nfs/dbraw/zinc/47/63/21/571476321.db2.gz MYTHYTDKDXSSPO-NDEPHWFRSA-N 1 2 522.045 3.937 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223456174 571479145 /nfs/dbraw/zinc/47/91/45/571479145.db2.gz YHAGSZCXIWHBIA-MGBGTMOVSA-N 1 2 636.790 3.761 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223456234 571479176 /nfs/dbraw/zinc/47/91/76/571479176.db2.gz YHAGSZCXIWHBIA-XIFFEERXSA-N 1 2 636.790 3.761 40 0 KHABLO COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1OC ZINC000223463466 571480491 /nfs/dbraw/zinc/48/04/91/571480491.db2.gz VVZUAAGLHWNUFN-SSEXGKCCSA-N 1 2 549.643 3.604 40 0 KHABLO COc1ccc(CC(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1OC ZINC000223463514 571480553 /nfs/dbraw/zinc/48/05/53/571480553.db2.gz VVZUAAGLHWNUFN-PMERELPUSA-N 1 2 549.643 3.604 40 0 KHABLO O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223497634 571487058 /nfs/dbraw/zinc/48/70/58/571487058.db2.gz VMNAYIJUEWPKFN-GDLZYMKVSA-N 1 2 503.618 3.977 40 0 KHABLO O=C(CCc1ccccc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223497693 571487161 /nfs/dbraw/zinc/48/71/61/571487161.db2.gz VMNAYIJUEWPKFN-LJAQVGFWSA-N 1 2 503.618 3.977 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223525184 571494169 /nfs/dbraw/zinc/49/41/69/571494169.db2.gz JMVQHBSNLYIUSK-UUWRZZSWSA-N 1 2 648.826 3.631 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223525235 571494159 /nfs/dbraw/zinc/49/41/59/571494159.db2.gz JMVQHBSNLYIUSK-UMSFTDKQSA-N 1 2 648.826 3.631 40 0 KHABLO COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223528881 571495130 /nfs/dbraw/zinc/49/51/30/571495130.db2.gz UNUBHNNRQBSENG-GDLZYMKVSA-N 1 2 552.071 3.946 40 0 KHABLO COc1ccc(CN(C(=O)COc2ccccc2Cl)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223528940 571495178 /nfs/dbraw/zinc/49/51/78/571495178.db2.gz UNUBHNNRQBSENG-LJAQVGFWSA-N 1 2 552.071 3.946 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223566108 571503330 /nfs/dbraw/zinc/50/33/30/571503330.db2.gz BRZNGMQRPIHFRJ-SSEXGKCCSA-N 1 2 515.654 3.846 40 0 KHABLO COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223566169 571503321 /nfs/dbraw/zinc/50/33/21/571503321.db2.gz BRZNGMQRPIHFRJ-PMERELPUSA-N 1 2 515.654 3.846 40 0 KHABLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224557697 571574016 /nfs/dbraw/zinc/57/40/16/571574016.db2.gz VESPBWAPBGEUHI-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224571002 571577075 /nfs/dbraw/zinc/57/70/75/571577075.db2.gz PFRABJLSKAFYHU-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224571147 571577287 /nfs/dbraw/zinc/57/72/87/571577287.db2.gz KUDQRLQRVDJPOX-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000224723462 571610888 /nfs/dbraw/zinc/61/08/88/571610888.db2.gz NLVNTHFFMKKNOL-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000224737980 571612602 /nfs/dbraw/zinc/61/26/02/571612602.db2.gz VDUHDECOJIHIMF-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000224738128 571612577 /nfs/dbraw/zinc/61/25/77/571612577.db2.gz VAHPSUOTIVNFGF-UHFFFAOYSA-N 1 2 500.020 3.903 40 0 KHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224775377 571615943 /nfs/dbraw/zinc/61/59/43/571615943.db2.gz SPWAYSWMCJMOPK-FMIVXFBMSA-N 1 2 519.667 3.987 40 0 KHABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224784008 571616791 /nfs/dbraw/zinc/61/67/91/571616791.db2.gz VEEDBAHKIGXBLY-UHFFFAOYSA-N 1 2 551.665 3.511 40 0 KHABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224795132 571617866 /nfs/dbraw/zinc/61/78/66/571617866.db2.gz JJUCHSOXJWYADY-UHFFFAOYSA-N 1 2 572.083 3.856 40 0 KHABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224805922 571618822 /nfs/dbraw/zinc/61/88/22/571618822.db2.gz RPJFOFDLOVOUTN-UHFFFAOYSA-N 1 2 569.655 3.877 40 0 KHABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224816968 571619862 /nfs/dbraw/zinc/61/98/62/571619862.db2.gz JWOGYSBTRPYFSE-UHFFFAOYSA-N 1 2 551.665 3.593 40 0 KHABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224827347 571620983 /nfs/dbraw/zinc/62/09/83/571620983.db2.gz KEHQCMCVGCIUNA-UHFFFAOYSA-N 1 2 565.692 3.901 40 0 KHABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nnc(SCc4ccccc4)s3)c2)CC1 ZINC000225006405 571638492 /nfs/dbraw/zinc/63/84/92/571638492.db2.gz OWEMUVXOYWVLMI-UHFFFAOYSA-N 1 2 524.093 3.672 40 0 KHABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)c2)CC1 ZINC000225257607 571663354 /nfs/dbraw/zinc/66/33/54/571663354.db2.gz FVHAXZSEKPHIMI-UHFFFAOYSA-N 1 2 512.444 3.700 40 0 KHABLO COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225269184 571664798 /nfs/dbraw/zinc/66/47/98/571664798.db2.gz CGUMIEOIXXKYOX-DHZHZOJOSA-N 1 2 511.688 3.660 40 0 KHABLO Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)S(C)(=O)=O)c1 ZINC000225416244 571783566 /nfs/dbraw/zinc/78/35/66/571783566.db2.gz CRYGQZQXAXTOLF-UHFFFAOYSA-N 1 2 535.666 3.956 40 0 KHABLO O=C(Nc1nnc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)s1)c1ccc(Cl)cc1Cl ZINC000225542109 571906854 /nfs/dbraw/zinc/90/68/54/571906854.db2.gz AHEQIGJVZKWEPY-UHFFFAOYSA-N 1 2 509.400 3.761 40 0 KHABLO O=C(Nc1nnc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)s1)c1ccc(Cl)cc1Cl ZINC000225630599 571982811 /nfs/dbraw/zinc/98/28/11/571982811.db2.gz IQIFIIDGFPCIMT-UHFFFAOYSA-N 1 2 526.471 3.824 40 0 KHABLO O=C(Nc1nnc(S(=O)(=O)NCCC[N@@H+]2CCc3ccccc3C2)s1)c1ccc(Cl)cc1Cl ZINC000225630599 571982808 /nfs/dbraw/zinc/98/28/08/571982808.db2.gz IQIFIIDGFPCIMT-UHFFFAOYSA-N 1 2 526.471 3.824 40 0 KHABLO Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccc(Cl)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225793758 572069701 /nfs/dbraw/zinc/06/97/01/572069701.db2.gz OIVOITOIDYUSOG-UHFFFAOYSA-N 1 2 607.179 3.810 40 0 KHABLO Cc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225807024 572073098 /nfs/dbraw/zinc/07/30/98/572073098.db2.gz SUYNHVYTOFBGEI-UHFFFAOYSA-N 1 2 607.179 3.810 40 0 KHABLO Cc1cccc(C)c1N(Cc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1)S(C)(=O)=O ZINC000225882518 572080316 /nfs/dbraw/zinc/08/03/16/572080316.db2.gz VIHZACDJEYPWNB-UHFFFAOYSA-N 1 2 535.666 3.956 40 0 KHABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(F)c(F)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253395661 572283888 /nfs/dbraw/zinc/28/38/88/572283888.db2.gz CCVPAHLGYQGULV-OLAVNICZSA-N 1 2 642.643 3.686 40 0 KHABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(F)c(F)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253395661 572283887 /nfs/dbraw/zinc/28/38/87/572283887.db2.gz CCVPAHLGYQGULV-OLAVNICZSA-N 1 2 642.643 3.686 40 0 KHABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000253395866 572283925 /nfs/dbraw/zinc/28/39/25/572283925.db2.gz CQLIEFFGRZKJEI-QCVYLVASSA-N 1 2 561.704 3.549 40 0 KHABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3cccs3)C[C@@H]12 ZINC000253395866 572283924 /nfs/dbraw/zinc/28/39/24/572283924.db2.gz CQLIEFFGRZKJEI-QCVYLVASSA-N 1 2 561.704 3.549 40 0 KHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253396303 572284060 /nfs/dbraw/zinc/28/40/60/572284060.db2.gz DOYOLIDBLOHULG-SSPYTLHUSA-N 1 2 547.574 3.748 40 0 KHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253396303 572284058 /nfs/dbraw/zinc/28/40/58/572284058.db2.gz DOYOLIDBLOHULG-SSPYTLHUSA-N 1 2 547.574 3.748 40 0 KHABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253396385 572284052 /nfs/dbraw/zinc/28/40/52/572284052.db2.gz DRZBTQBDXIXAOC-FIXSFTCYSA-N 1 2 529.559 3.644 40 0 KHABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253396385 572284050 /nfs/dbraw/zinc/28/40/50/572284050.db2.gz DRZBTQBDXIXAOC-FIXSFTCYSA-N 1 2 529.559 3.644 40 0 KHABLO COc1cccc(C[N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)c1 ZINC000253400764 572285140 /nfs/dbraw/zinc/28/51/40/572285140.db2.gz LSKIYAVDPPKTMC-YENFZODQSA-N 1 2 503.643 3.779 40 0 KHABLO COc1cccc(C[N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)c1 ZINC000253400764 572285139 /nfs/dbraw/zinc/28/51/39/572285139.db2.gz LSKIYAVDPPKTMC-YENFZODQSA-N 1 2 503.643 3.779 40 0 KHABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253401536 572285321 /nfs/dbraw/zinc/28/53/21/572285321.db2.gz NFGSCGSULIZHON-DXLYGPJMSA-N 1 2 594.728 3.520 40 0 KHABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253401536 572285320 /nfs/dbraw/zinc/28/53/20/572285320.db2.gz NFGSCGSULIZHON-DXLYGPJMSA-N 1 2 594.728 3.520 40 0 KHABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000253403861 572285891 /nfs/dbraw/zinc/28/58/91/572285891.db2.gz QOBFDUGMLDCQEA-YQOCYVMFSA-N 1 2 573.665 3.627 40 0 KHABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000253403861 572285889 /nfs/dbraw/zinc/28/58/89/572285889.db2.gz QOBFDUGMLDCQEA-YQOCYVMFSA-N 1 2 573.665 3.627 40 0 KHABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253404625 572285968 /nfs/dbraw/zinc/28/59/68/572285968.db2.gz RFGHYJYYVNPIJC-JGDRUYDSSA-N 1 2 631.696 3.555 40 0 KHABLO CC(C)NC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253404625 572285967 /nfs/dbraw/zinc/28/59/67/572285967.db2.gz RFGHYJYYVNPIJC-JGDRUYDSSA-N 1 2 631.696 3.555 40 0 KHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253405223 572286085 /nfs/dbraw/zinc/28/60/85/572286085.db2.gz SCDTZMPHTMOTOZ-FIXSFTCYSA-N 1 2 531.575 3.868 40 0 KHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253405223 572286084 /nfs/dbraw/zinc/28/60/84/572286084.db2.gz SCDTZMPHTMOTOZ-FIXSFTCYSA-N 1 2 531.575 3.868 40 0 KHABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253405669 572286281 /nfs/dbraw/zinc/28/62/81/572286281.db2.gz SZBOIKWACXCSDN-SSPYTLHUSA-N 1 2 545.558 3.524 40 0 KHABLO O=C1NC[C@@H]2C=CC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@@H]13)O2 ZINC000253405669 572286279 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3.694 40 0 KHABLO Cc1nc2cc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)CC(C)C)CC(C)(C)C4)ccc2n1C ZINC000257271104 572312985 /nfs/dbraw/zinc/31/29/85/572312985.db2.gz MWWLLYUZQSSDIT-UHFFFAOYSA-N 1 2 503.713 3.620 40 0 KHABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)[nH+]c(N3CCOCC3)n2)n[nH]1 ZINC000257272322 572313089 /nfs/dbraw/zinc/31/30/89/572313089.db2.gz NBZXDMQLWYJIMT-UHFFFAOYSA-N 1 2 514.005 3.976 40 0 KHABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257280645 572313762 /nfs/dbraw/zinc/31/37/62/572313762.db2.gz OLRPVAZGYXDGTJ-UCGGBYDDSA-N 1 2 591.730 3.872 40 0 KHABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257280645 572313760 /nfs/dbraw/zinc/31/37/60/572313760.db2.gz OLRPVAZGYXDGTJ-UCGGBYDDSA-N 1 2 591.730 3.872 40 0 KHABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)C1 ZINC000257284047 572314212 /nfs/dbraw/zinc/31/42/12/572314212.db2.gz PBBAMAKTOPHUSX-UHFFFAOYSA-N 1 2 507.697 3.586 40 0 KHABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC000257291204 572315005 /nfs/dbraw/zinc/31/50/05/572315005.db2.gz QGCGOIYEMWUWDJ-UHFFFAOYSA-N 1 2 602.823 3.896 40 0 KHABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)[nH+]c(N3CC[C@@H](O)C3)n2)n[nH]1 ZINC000257299998 572315732 /nfs/dbraw/zinc/31/57/32/572315732.db2.gz RSMKSUNSWQBQBD-GOSISDBHSA-N 1 2 514.005 3.710 40 0 KHABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)[nH+]c(N3CC[C@H](O)C3)n2)n[nH]1 ZINC000257299999 572315791 /nfs/dbraw/zinc/31/57/91/572315791.db2.gz RSMKSUNSWQBQBD-SFHVURJKSA-N 1 2 514.005 3.710 40 0 KHABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000257303330 572316123 /nfs/dbraw/zinc/31/61/23/572316123.db2.gz SGTVLIHNFFCSPV-UHFFFAOYSA-N 1 2 602.823 3.896 40 0 KHABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CCC1(C)C ZINC000257303994 572316227 /nfs/dbraw/zinc/31/62/27/572316227.db2.gz SJQPGMUUDOKXMW-UHFFFAOYSA-N 1 2 507.697 3.729 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2ccccc2)C3)cc1 ZINC000257309049 572316753 /nfs/dbraw/zinc/31/67/53/572316753.db2.gz TZHZKYMJRGEYSW-UHFFFAOYSA-N 1 2 512.676 3.929 40 0 KHABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000257311195 572316992 /nfs/dbraw/zinc/31/69/92/572316992.db2.gz UIILDHTUWISAMV-UHFFFAOYSA-N 1 2 527.687 3.883 40 0 KHABLO Cc1cc(Nc2cc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)nc(NCC[NH+]3CCOCC3)n2)n[nH]1 ZINC000257311924 572316994 /nfs/dbraw/zinc/31/69/94/572316994.db2.gz ULQDBGUPFYBHSA-UHFFFAOYSA-N 1 2 557.074 3.883 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257312616 572317076 /nfs/dbraw/zinc/31/70/76/572317076.db2.gz UOUMRQVFFDIJQR-LITSAYRRSA-N 1 2 556.729 3.862 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257312616 572317075 /nfs/dbraw/zinc/31/70/75/572317075.db2.gz UOUMRQVFFDIJQR-LITSAYRRSA-N 1 2 556.729 3.862 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257312617 572317149 /nfs/dbraw/zinc/31/71/49/572317149.db2.gz UOUMRQVFFDIJQR-WNJJXGMVSA-N 1 2 556.729 3.862 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257312617 572317148 /nfs/dbraw/zinc/31/71/48/572317148.db2.gz UOUMRQVFFDIJQR-WNJJXGMVSA-N 1 2 556.729 3.862 40 0 KHABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CCC1(C)C ZINC000257317326 572317559 /nfs/dbraw/zinc/31/75/59/572317559.db2.gz VJHWIWASDLKFPK-UHFFFAOYSA-N 1 2 582.833 3.742 40 0 KHABLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CN(S(=O)(=O)Cc4ccccc4)C(C)(C)C3)CC2)cc1 ZINC000257317363 572317549 /nfs/dbraw/zinc/31/75/49/572317549.db2.gz VJMFKMCZGGLNAL-UHFFFAOYSA-N 1 2 512.676 3.680 40 0 KHABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)N1CC(=O)Nc3ccccc31)CC2 ZINC000257319802 572317958 /nfs/dbraw/zinc/31/79/58/572317958.db2.gz VUCCMLLQGBDGDK-UHFFFAOYSA-N 1 2 531.078 3.581 40 0 KHABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc5c(c4)oc(=O)n5C)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257321234 572318027 /nfs/dbraw/zinc/31/80/27/572318027.db2.gz WASPSLUCPIJHID-AREMUKBSSA-N 1 2 604.729 3.545 40 0 KHABLO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(C)(=O)=O)C4)n2)cc1 ZINC000257327253 572318668 /nfs/dbraw/zinc/31/86/68/572318668.db2.gz XARGZNLJRVYDEI-UHFFFAOYSA-N 1 2 506.694 3.673 40 0 KHABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ncc(Cc4ccccc4F)s3)CC2)CN1S(C)(=O)=O ZINC000257328791 572318766 /nfs/dbraw/zinc/31/87/66/572318766.db2.gz XHDKCBQGZUCOGC-UHFFFAOYSA-N 1 2 508.685 3.728 40 0 KHABLO CCn1c2ccc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)cc2oc1=O ZINC000257344042 572320112 /nfs/dbraw/zinc/32/01/12/572320112.db2.gz ZVNFBNTXZBOTGY-UHFFFAOYSA-N 1 2 540.686 3.649 40 0 KHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Cl)OCO2 ZINC000261361815 572103530 /nfs/dbraw/zinc/10/35/30/572103530.db2.gz BCNSFOYWNWBDIH-IBGZPJMESA-O 1 2 522.788 3.917 40 0 KHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1cc2c(cc1Cl)OCO2 ZINC000261361818 572103688 /nfs/dbraw/zinc/10/36/88/572103688.db2.gz BCNSFOYWNWBDIH-LJQANCHMSA-O 1 2 522.788 3.917 40 0 KHABLO CCOc1cc(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(C)=O ZINC000261361907 572103735 /nfs/dbraw/zinc/10/37/35/572103735.db2.gz DBTNOORRHWBTFK-JOCHJYFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCOc1cc(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(C)=O ZINC000261361910 572103762 /nfs/dbraw/zinc/10/37/62/572103762.db2.gz DBTNOORRHWBTFK-QFIPXVFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(I)c(OC)c(OC)c1 ZINC000261362072 572103789 /nfs/dbraw/zinc/10/37/89/572103789.db2.gz FLXOVHYWDACLBP-NRFANRHFSA-O 1 2 565.413 3.784 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(I)c(OC)c(OC)c1 ZINC000261362076 572103907 /nfs/dbraw/zinc/10/39/07/572103907.db2.gz FLXOVHYWDACLBP-OAQYLSRUSA-O 1 2 565.413 3.784 40 0 KHABLO COc1cc(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261362105 572103769 /nfs/dbraw/zinc/10/37/69/572103769.db2.gz FTRLUTVBIDZRDU-FQEVSTJZSA-O 1 2 504.386 3.552 40 0 KHABLO COc1cc(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC ZINC000261362107 572103545 /nfs/dbraw/zinc/10/35/45/572103545.db2.gz FTRLUTVBIDZRDU-HXUWFJFHSA-O 1 2 504.386 3.552 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)cc(OC)c1OC(C)=O ZINC000261362127 572103728 /nfs/dbraw/zinc/10/37/28/572103728.db2.gz GDIQFONZVWEWBH-JOCHJYFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(OC)c1OC(C)=O ZINC000261362129 572104183 /nfs/dbraw/zinc/10/41/83/572104183.db2.gz GDIQFONZVWEWBH-QFIPXVFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362396 572104311 /nfs/dbraw/zinc/10/43/11/572104311.db2.gz JFXRGLKLHHMBEU-KRWDZBQOSA-O 1 2 509.349 3.540 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362397 572104193 /nfs/dbraw/zinc/10/41/93/572104193.db2.gz JFXRGLKLHHMBEU-QGZVFWFLSA-O 1 2 509.349 3.540 40 0 KHABLO COc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1O ZINC000261362596 572104257 /nfs/dbraw/zinc/10/42/57/572104257.db2.gz LYMSBVXDYHZASY-INIZCTEOSA-O 1 2 574.218 3.912 40 0 KHABLO COc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1O ZINC000261362597 572104198 /nfs/dbraw/zinc/10/41/98/572104198.db2.gz LYMSBVXDYHZASY-MRXNPFEDSA-O 1 2 574.218 3.912 40 0 KHABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(I)c1O ZINC000261362838 572104720 /nfs/dbraw/zinc/10/47/20/572104720.db2.gz MQPNLDAFWZNBIP-GOSISDBHSA-O 1 2 523.376 3.930 40 0 KHABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc(I)c1O ZINC000261362840 572104867 /nfs/dbraw/zinc/10/48/67/572104867.db2.gz MQPNLDAFWZNBIP-SFHVURJKSA-O 1 2 523.376 3.930 40 0 KHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000261363328 572105159 /nfs/dbraw/zinc/10/51/59/572105159.db2.gz GVGCALMLQSLENE-NRFANRHFSA-O 1 2 518.413 3.942 40 0 KHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000261363329 572105132 /nfs/dbraw/zinc/10/51/32/572105132.db2.gz GVGCALMLQSLENE-OAQYLSRUSA-O 1 2 518.413 3.942 40 0 KHABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1O ZINC000261363831 572105938 /nfs/dbraw/zinc/10/59/38/572105938.db2.gz WSJYANTUIWPXIJ-KRWDZBQOSA-O 1 2 509.349 3.540 40 0 KHABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(I)c1O ZINC000261363832 572105845 /nfs/dbraw/zinc/10/58/45/572105845.db2.gz WSJYANTUIWPXIJ-QGZVFWFLSA-O 1 2 509.349 3.540 40 0 KHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)cc1OC(C)=O ZINC000261363885 572105872 /nfs/dbraw/zinc/10/58/72/572105872.db2.gz YFHHONKHADEGTB-RUZDIDTESA-O 1 2 523.591 3.793 40 0 KHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)cc1OC(C)=O ZINC000261363886 572105777 /nfs/dbraw/zinc/10/57/77/572105777.db2.gz YFHHONKHADEGTB-VWLOTQADSA-O 1 2 523.591 3.793 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000261364003 572106512 /nfs/dbraw/zinc/10/65/12/572106512.db2.gz YNDYTLBTRLGBML-FQEVSTJZSA-O 1 2 502.370 3.653 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000261364004 572106567 /nfs/dbraw/zinc/10/65/67/572106567.db2.gz YNDYTLBTRLGBML-HXUWFJFHSA-O 1 2 502.370 3.653 40 0 KHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261364214 572106581 /nfs/dbraw/zinc/10/65/81/572106581.db2.gz KAPCQBZDTXHDDJ-RUZDIDTESA-O 1 2 525.607 3.885 40 0 KHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC(C)=O)c(OC)c1 ZINC000261364215 572106335 /nfs/dbraw/zinc/10/63/35/572106335.db2.gz KAPCQBZDTXHDDJ-VWLOTQADSA-O 1 2 525.607 3.885 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364524 572107025 /nfs/dbraw/zinc/10/70/25/572107025.db2.gz LXZJKETXJFTTGD-FQEVSTJZSA-O 1 2 502.370 3.653 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261364525 572106843 /nfs/dbraw/zinc/10/68/43/572106843.db2.gz LXZJKETXJFTTGD-HXUWFJFHSA-O 1 2 502.370 3.653 40 0 KHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCC(=O)OCC)c(OCC)c1 ZINC000261364689 572107019 /nfs/dbraw/zinc/10/70/19/572107019.db2.gz MYJHCOBZOXYNFK-AREMUKBSSA-O 1 2 539.634 3.893 40 0 KHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCC(=O)OCC)c(OCC)c1 ZINC000261364690 572107060 /nfs/dbraw/zinc/10/70/60/572107060.db2.gz MYJHCOBZOXYNFK-SANMLTNESA-O 1 2 539.634 3.893 40 0 KHABLO COc1cc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261364695 572106881 /nfs/dbraw/zinc/10/68/81/572106881.db2.gz MZQJCALKWBNNIE-FQEVSTJZSA-O 1 2 504.386 3.552 40 0 KHABLO COc1cc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261364696 572106860 /nfs/dbraw/zinc/10/68/60/572106860.db2.gz MZQJCALKWBNNIE-HXUWFJFHSA-O 1 2 504.386 3.552 40 0 KHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(Br)o1 ZINC000261365111 572107157 /nfs/dbraw/zinc/10/71/57/572107157.db2.gz QDDRXXRMTKQMTF-INIZCTEOSA-O 1 2 513.191 3.890 40 0 KHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(Br)o1 ZINC000261365112 572107352 /nfs/dbraw/zinc/10/73/52/572107352.db2.gz QDDRXXRMTKQMTF-MRXNPFEDSA-O 1 2 513.191 3.890 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000261365176 572107288 /nfs/dbraw/zinc/10/72/88/572107288.db2.gz QOWYIOKFGXWUOR-JOCHJYFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000261365177 572107333 /nfs/dbraw/zinc/10/73/33/572107333.db2.gz QOWYIOKFGXWUOR-QFIPXVFZSA-O 1 2 546.423 3.859 40 0 KHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc2c(cc1Br)OCO2 ZINC000261365695 572107942 /nfs/dbraw/zinc/10/79/42/572107942.db2.gz URERSEZARLFXJH-FQEVSTJZSA-O 1 2 502.370 3.653 40 0 KHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc2c(cc1Br)OCO2 ZINC000261365696 572108594 /nfs/dbraw/zinc/10/85/94/572108594.db2.gz URERSEZARLFXJH-HXUWFJFHSA-O 1 2 502.370 3.653 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC)c1 ZINC000261365958 572108481 /nfs/dbraw/zinc/10/84/81/572108481.db2.gz WNQOFSHKXSRKJU-NRFANRHFSA-O 1 2 518.413 3.942 40 0 KHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC)c1 ZINC000261365959 572108574 /nfs/dbraw/zinc/10/85/74/572108574.db2.gz WNQOFSHKXSRKJU-OAQYLSRUSA-O 1 2 518.413 3.942 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408528502 572164625 /nfs/dbraw/zinc/16/46/25/572164625.db2.gz GJYOHNPLPVXFNN-UHFFFAOYSA-N 1 2 570.067 3.543 40 0 KHABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1C ZINC000408545658 572220123 /nfs/dbraw/zinc/22/01/23/572220123.db2.gz LYUPXSYFOGGNBR-UHFFFAOYSA-N 1 2 507.612 3.791 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c2ccc(Cl)cc2)cc1OC ZINC000408548724 572229934 /nfs/dbraw/zinc/22/99/34/572229934.db2.gz TZBZESUCQYVDFL-UHFFFAOYSA-N 1 2 588.082 3.626 40 0 KHABLO Cc1ccccc1N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408549559 572232200 /nfs/dbraw/zinc/23/22/00/572232200.db2.gz ZWUAJMRSLQGKPL-UHFFFAOYSA-N 1 2 542.057 3.917 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408555288 572242739 /nfs/dbraw/zinc/24/27/39/572242739.db2.gz AEMXMTZICNPJEP-UHFFFAOYSA-N 1 2 544.471 3.973 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 ZINC000408555381 572242805 /nfs/dbraw/zinc/24/28/05/572242805.db2.gz FWGADABSCWFEML-UHFFFAOYSA-N 1 2 572.083 3.925 40 0 KHABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1Cl ZINC000408557319 572244733 /nfs/dbraw/zinc/24/47/33/572244733.db2.gz GNQJQZWVSHHFCR-UHFFFAOYSA-N 1 2 574.055 3.601 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408559397 572246678 /nfs/dbraw/zinc/24/66/78/572246678.db2.gz LYPXRPRHDUGLGI-UHFFFAOYSA-N 1 2 577.581 3.958 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408561634 572248479 /nfs/dbraw/zinc/24/84/79/572248479.db2.gz UKTQRTHPUAYYJH-UHFFFAOYSA-N 1 2 588.480 3.702 40 0 KHABLO COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000408563771 572249590 /nfs/dbraw/zinc/24/95/90/572249590.db2.gz PHEOBAUZRILRBR-UHFFFAOYSA-N 1 2 503.599 3.761 40 0 KHABLO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408577946 572262564 /nfs/dbraw/zinc/26/25/64/572262564.db2.gz JPHYYCLIHHLJMU-FQEVSTJZSA-N 1 2 568.472 3.839 40 0 KHABLO Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408577947 572262539 /nfs/dbraw/zinc/26/25/39/572262539.db2.gz JPHYYCLIHHLJMU-HXUWFJFHSA-N 1 2 568.472 3.839 40 0 KHABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408578079 572262712 /nfs/dbraw/zinc/26/27/12/572262712.db2.gz KGFZWBPDULYRTH-KRWDZBQOSA-N 1 2 530.412 3.767 40 0 KHABLO O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408578217 572262808 /nfs/dbraw/zinc/26/28/08/572262808.db2.gz KGFZWBPDULYRTH-QGZVFWFLSA-N 1 2 530.412 3.767 40 0 KHABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408579133 572263542 /nfs/dbraw/zinc/26/35/42/572263542.db2.gz MXIAJKFJYSGOIE-KRWDZBQOSA-N 1 2 530.412 3.767 40 0 KHABLO O=C(COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000408579134 572263634 /nfs/dbraw/zinc/26/36/34/572263634.db2.gz MXIAJKFJYSGOIE-QGZVFWFLSA-N 1 2 530.412 3.767 40 0 KHABLO Cc1cc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCCn4cc[nH+]c4)CC3=O)cc2)ccc1Br ZINC000408580407 572264141 /nfs/dbraw/zinc/26/41/41/572264141.db2.gz QMRYKMWGAQWSAU-IBGZPJMESA-N 1 2 554.445 3.531 40 0 KHABLO Cc1cc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCCn4cc[nH+]c4)CC3=O)cc2)ccc1Br ZINC000408580409 572264152 /nfs/dbraw/zinc/26/41/52/572264152.db2.gz QMRYKMWGAQWSAU-LJQANCHMSA-N 1 2 554.445 3.531 40 0 KHABLO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408581746 572264496 /nfs/dbraw/zinc/26/44/96/572264496.db2.gz UEHPFWLBFUSKEQ-IBGZPJMESA-N 1 2 554.445 3.531 40 0 KHABLO Cc1cc(Br)ccc1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408581747 572264574 /nfs/dbraw/zinc/26/45/74/572264574.db2.gz UEHPFWLBFUSKEQ-LJQANCHMSA-N 1 2 554.445 3.531 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408586933 572266429 /nfs/dbraw/zinc/26/64/29/572266429.db2.gz AFIBIWRUMYEPNN-JXMROGBWSA-N 1 2 518.079 3.751 40 0 KHABLO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000408586940 572266410 /nfs/dbraw/zinc/26/64/10/572266410.db2.gz AGVTWKYYCMXBTH-RMKNXTFCSA-N 1 2 506.068 3.511 40 0 KHABLO Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408586946 572266436 /nfs/dbraw/zinc/26/64/36/572266436.db2.gz AHSFRZBBPHZRPU-DHZHZOJOSA-N 1 2 511.688 3.842 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408586986 572266365 /nfs/dbraw/zinc/26/63/65/572266365.db2.gz ASIXDBPLCLEOSJ-RMKNXTFCSA-N 1 2 518.079 3.797 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408587200 572266522 /nfs/dbraw/zinc/26/65/22/572266522.db2.gz BCACCTPQTWGTQJ-KPKJPENVSA-N 1 2 503.668 3.955 40 0 KHABLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408587563 572266669 /nfs/dbraw/zinc/26/66/69/572266669.db2.gz BNTOUVRDTHIXKK-MDWZMJQESA-N 1 2 519.667 3.744 40 0 KHABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000408587805 572266574 /nfs/dbraw/zinc/26/65/74/572266574.db2.gz CHGGPANJERMJQR-FSNDINTDSA-N 1 2 518.079 3.607 40 0 KHABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000408587810 572266639 /nfs/dbraw/zinc/26/66/39/572266639.db2.gz CHGGPANJERMJQR-XPUAEESYSA-N 1 2 518.079 3.607 40 0 KHABLO O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408588084 572266758 /nfs/dbraw/zinc/26/67/58/572266758.db2.gz CAQHQGFOLBNDEO-KPKJPENVSA-N 1 2 517.695 3.998 40 0 KHABLO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000408589518 572267366 /nfs/dbraw/zinc/26/73/66/572267366.db2.gz FZHYMRJPTMVOAV-RMKNXTFCSA-N 1 2 532.106 3.997 40 0 KHABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408592147 572268517 /nfs/dbraw/zinc/26/85/17/572268517.db2.gz KGNYNMDKMZLOOJ-FSNDINTDSA-N 1 2 518.079 3.607 40 0 KHABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408592151 572268417 /nfs/dbraw/zinc/26/84/17/572268417.db2.gz KGNYNMDKMZLOOJ-XPUAEESYSA-N 1 2 518.079 3.607 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408592183 572268498 /nfs/dbraw/zinc/26/84/98/572268498.db2.gz KKUOJTXEGILUAT-RMKNXTFCSA-N 1 2 517.651 3.674 40 0 KHABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000408592255 572268536 /nfs/dbraw/zinc/26/85/36/572268536.db2.gz KWATVKYVRWNXBW-UHFFFAOYSA-N 1 2 558.056 3.901 40 0 KHABLO COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1Cl ZINC000408592686 572268665 /nfs/dbraw/zinc/26/86/65/572268665.db2.gz LICBWIVKHGEZQE-VMPITWQZSA-N 1 2 518.079 3.607 40 0 KHABLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000408592795 572268794 /nfs/dbraw/zinc/26/87/94/572268794.db2.gz LTHJIAREZLISDW-VMPITWQZSA-N 1 2 518.079 3.607 40 0 KHABLO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408593409 572269200 /nfs/dbraw/zinc/26/92/00/572269200.db2.gz NOCICZYRTDYFHT-OIHWHRODSA-N 1 2 532.504 3.707 40 0 KHABLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408593413 572269205 /nfs/dbraw/zinc/26/92/05/572269205.db2.gz NOCICZYRTDYFHT-YKNILIKBSA-N 1 2 532.504 3.707 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1C ZINC000408593446 572269203 /nfs/dbraw/zinc/26/92/03/572269203.db2.gz NRGZAYWWHDHFAZ-JEVDYFGZSA-N 1 2 511.688 3.652 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1C ZINC000408593448 572269224 /nfs/dbraw/zinc/26/92/24/572269224.db2.gz NRGZAYWWHDHFAZ-XIHLAWMYSA-N 1 2 511.688 3.652 40 0 KHABLO O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408593888 572269453 /nfs/dbraw/zinc/26/94/53/572269453.db2.gz OUAHSCSXGSISOD-QPJJXVBHSA-N 1 2 532.504 3.707 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1C ZINC000408594272 572269599 /nfs/dbraw/zinc/26/95/99/572269599.db2.gz PMDYOVVMWUCGLO-JXMROGBWSA-N 1 2 511.688 3.652 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408595205 572270232 /nfs/dbraw/zinc/27/02/32/572270232.db2.gz UHIWBWXOYKWVNG-UHFFFAOYSA-N 1 2 562.019 3.732 40 0 KHABLO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408595695 572270547 /nfs/dbraw/zinc/27/05/47/572270547.db2.gz SQNNFXNFBSPACS-MDWZMJQESA-N 1 2 519.667 3.710 40 0 KHABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408596373 572270859 /nfs/dbraw/zinc/27/08/59/572270859.db2.gz UMVGYNPJXKENSF-VMPITWQZSA-N 1 2 521.639 3.732 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408596562 572270970 /nfs/dbraw/zinc/27/09/70/572270970.db2.gz WSICXTOUDRPWQP-UHFFFAOYSA-N 1 2 584.094 3.933 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408596993 572271244 /nfs/dbraw/zinc/27/12/44/572271244.db2.gz VMLGIUCCTIPXTO-QPJJXVBHSA-N 1 2 509.603 3.863 40 0 KHABLO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl ZINC000408597461 572271548 /nfs/dbraw/zinc/27/15/48/572271548.db2.gz WNEHWGQNRTWSRW-UHFFFAOYSA-N 1 2 602.109 3.934 40 0 KHABLO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1ccccc1 ZINC000408597479 572271643 /nfs/dbraw/zinc/27/16/43/572271643.db2.gz WWJVOIPTEVYIDR-DDVUFSRBSA-N 1 2 519.667 3.963 40 0 KHABLO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1ccccc1 ZINC000408597480 572271684 /nfs/dbraw/zinc/27/16/84/572271684.db2.gz WWJVOIPTEVYIDR-NOENIZQJSA-N 1 2 519.667 3.963 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1Cl ZINC000408597750 572271821 /nfs/dbraw/zinc/27/18/21/572271821.db2.gz XWLLVWTVURAWET-RMKNXTFCSA-N 1 2 532.106 3.997 40 0 KHABLO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408597806 572271798 /nfs/dbraw/zinc/27/17/98/572271798.db2.gz YKKHHJZONHOYJF-MLOZSTENSA-N 1 2 503.668 3.742 40 0 KHABLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408597807 572271778 /nfs/dbraw/zinc/27/17/78/572271778.db2.gz YKKHHJZONHOYJF-OEGMZDAKSA-N 1 2 503.668 3.742 40 0 KHABLO Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408598008 572271929 /nfs/dbraw/zinc/27/19/29/572271929.db2.gz YRRZGKVWXTXCIG-JXMROGBWSA-N 1 2 531.678 3.983 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl)NCCCn1cc[nH+]c1 ZINC000408600751 572272674 /nfs/dbraw/zinc/27/26/74/572272674.db2.gz CERKBKCYEIVVNF-UHFFFAOYSA-N 1 2 516.929 3.941 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)sc2c1CC[N@@H+](C)C2 ZINC000408601645 572272867 /nfs/dbraw/zinc/27/28/67/572272867.db2.gz BAYWYGHJVLXOAX-UHFFFAOYSA-N 1 2 543.667 3.506 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(OCc3ccccc3)cc2)S(C)(=O)=O)sc2c1CC[N@H+](C)C2 ZINC000408601645 572272865 /nfs/dbraw/zinc/27/28/65/572272865.db2.gz BAYWYGHJVLXOAX-UHFFFAOYSA-N 1 2 543.667 3.506 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408602026 572273085 /nfs/dbraw/zinc/27/30/85/572273085.db2.gz BVLZBZYRWUEXHD-UHFFFAOYSA-N 1 2 531.631 3.804 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)sc2c1CC[N@H+](C)C2 ZINC000408602026 572273083 /nfs/dbraw/zinc/27/30/83/572273083.db2.gz BVLZBZYRWUEXHD-UHFFFAOYSA-N 1 2 531.631 3.804 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2OC)cc1 ZINC000408603029 572273526 /nfs/dbraw/zinc/27/35/26/572273526.db2.gz DYNYGARXGWCVRZ-DHZHZOJOSA-N 1 2 535.666 3.757 40 0 KHABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2)cc1Cl ZINC000408604193 572273967 /nfs/dbraw/zinc/27/39/67/572273967.db2.gz LJJODFIFVOKSAN-UHFFFAOYSA-N 1 2 558.056 3.901 40 0 KHABLO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)c1 ZINC000408604216 572273925 /nfs/dbraw/zinc/27/39/25/572273925.db2.gz LKPVNMFGDBEQPY-RMKNXTFCSA-N 1 2 521.639 3.732 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408605055 572274282 /nfs/dbraw/zinc/27/42/82/572274282.db2.gz MMESOLAXZJVLRH-UHFFFAOYSA-N 1 2 544.029 3.593 40 0 KHABLO O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408605434 572274426 /nfs/dbraw/zinc/27/44/26/572274426.db2.gz IURWHLQKCRSDBX-UHFFFAOYSA-N 1 2 500.930 3.957 40 0 KHABLO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408605566 572274477 /nfs/dbraw/zinc/27/44/77/572274477.db2.gz JLWNOGYKCKHPQH-UHFFFAOYSA-N 1 2 500.930 3.957 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408605880 572274637 /nfs/dbraw/zinc/27/46/37/572274637.db2.gz NTPZZVLWKPJKIV-UHFFFAOYSA-N 1 2 500.020 3.864 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408606593 572274952 /nfs/dbraw/zinc/27/49/52/572274952.db2.gz KZIJULPLMIPZNH-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408606593 572274951 /nfs/dbraw/zinc/27/49/51/572274951.db2.gz KZIJULPLMIPZNH-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408608496 572275530 /nfs/dbraw/zinc/27/55/30/572275530.db2.gz NIKBWPDIPMQKIV-UHFFFAOYSA-N 1 2 573.693 3.682 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408608496 572275529 /nfs/dbraw/zinc/27/55/29/572275529.db2.gz NIKBWPDIPMQKIV-UHFFFAOYSA-N 1 2 573.693 3.682 40 0 KHABLO CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C)C3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408608502 572275509 /nfs/dbraw/zinc/27/55/09/572275509.db2.gz NMKJOVWSTQRATN-UHFFFAOYSA-N 1 2 561.657 3.894 40 0 KHABLO CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C)C3)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408608502 572275508 /nfs/dbraw/zinc/27/55/08/572275508.db2.gz NMKJOVWSTQRATN-UHFFFAOYSA-N 1 2 561.657 3.894 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408610379 572276107 /nfs/dbraw/zinc/27/61/07/572276107.db2.gz QKJPRLZDLGKYQB-UHFFFAOYSA-N 1 2 531.631 3.804 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408610379 572276105 /nfs/dbraw/zinc/27/61/05/572276105.db2.gz QKJPRLZDLGKYQB-UHFFFAOYSA-N 1 2 531.631 3.804 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408611360 572276589 /nfs/dbraw/zinc/27/65/89/572276589.db2.gz UBQWWJITFLIOFM-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408611360 572276588 /nfs/dbraw/zinc/27/65/88/572276588.db2.gz UBQWWJITFLIOFM-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408612124 572276833 /nfs/dbraw/zinc/27/68/33/572276833.db2.gz UGYBXBKKDJZWNR-UHFFFAOYSA-N 1 2 625.510 3.961 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(I)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408612124 572276832 /nfs/dbraw/zinc/27/68/32/572276832.db2.gz UGYBXBKKDJZWNR-UHFFFAOYSA-N 1 2 625.510 3.961 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1OC ZINC000408614535 572277891 /nfs/dbraw/zinc/27/78/91/572277891.db2.gz DKMXQWAATULODF-FMIVXFBMSA-N 1 2 535.666 3.757 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408614692 572277996 /nfs/dbraw/zinc/27/79/96/572277996.db2.gz GLNIBLBGNKWCHB-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408614692 572277995 /nfs/dbraw/zinc/27/79/95/572277995.db2.gz GLNIBLBGNKWCHB-UHFFFAOYSA-N 1 2 527.668 3.973 40 0 KHABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000408614830 572277992 /nfs/dbraw/zinc/27/79/92/572277992.db2.gz IQCGOZQBSZSIFW-FMIVXFBMSA-N 1 2 535.666 3.757 40 0 KHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C)C3)c2ccccc2)cc1 ZINC000408615674 572278416 /nfs/dbraw/zinc/27/84/16/572278416.db2.gz CAOSSONKYYSMOA-UHFFFAOYSA-N 1 2 543.667 3.755 40 0 KHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C)C3)c2ccccc2)cc1 ZINC000408615674 572278415 /nfs/dbraw/zinc/27/84/15/572278415.db2.gz CAOSSONKYYSMOA-UHFFFAOYSA-N 1 2 543.667 3.755 40 0 KHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000408616213 572278625 /nfs/dbraw/zinc/27/86/25/572278625.db2.gz XJLULUXFCJBPOS-VMPITWQZSA-N 1 2 515.985 3.982 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408616406 572278757 /nfs/dbraw/zinc/27/87/57/572278757.db2.gz YTSBDACKMPQOBZ-UHFFFAOYSA-N 1 2 543.667 3.674 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408616406 572278755 /nfs/dbraw/zinc/27/87/55/572278755.db2.gz YTSBDACKMPQOBZ-UHFFFAOYSA-N 1 2 543.667 3.674 40 0 KHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000408616571 572278844 /nfs/dbraw/zinc/27/88/44/572278844.db2.gz HDKSFVXDZOTJAI-VMPITWQZSA-N 1 2 515.985 3.982 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1OC ZINC000408616843 572279091 /nfs/dbraw/zinc/27/90/91/572279091.db2.gz ADAZAFZPIDNZLE-NTEUORMPSA-N 1 2 549.693 3.752 40 0 KHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000408617040 572279209 /nfs/dbraw/zinc/27/92/09/572279209.db2.gz BGHYJGTWRXARAD-FQEVSTJZSA-N 1 2 500.353 3.647 40 0 KHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OC)c(Br)c2)c(OC)c1 ZINC000408617041 572279141 /nfs/dbraw/zinc/27/91/41/572279141.db2.gz BGHYJGTWRXARAD-HXUWFJFHSA-N 1 2 500.353 3.647 40 0 KHABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408617401 572279412 /nfs/dbraw/zinc/27/94/12/572279412.db2.gz CBFSMUSGFNFLIS-KPKJPENVSA-N 1 2 507.631 3.874 40 0 KHABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408617467 572279501 /nfs/dbraw/zinc/27/95/01/572279501.db2.gz CYFBJKMNQNAKOL-RMKNXTFCSA-N 1 2 505.640 3.992 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1 ZINC000408617512 572279581 /nfs/dbraw/zinc/27/95/81/572279581.db2.gz BILJRRXHGQFCCF-UHFFFAOYSA-N 1 2 511.431 3.909 40 0 KHABLO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408618233 572279987 /nfs/dbraw/zinc/27/99/87/572279987.db2.gz FECRQKRUQDURKB-MDWZMJQESA-N 1 2 533.694 3.786 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)sc2c1CC[N@@H+](C)C2 ZINC000408618380 572280110 /nfs/dbraw/zinc/28/01/10/572280110.db2.gz KBXJINSDARLQAH-UHFFFAOYSA-N 1 2 539.985 3.600 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)sc2c1CC[N@H+](C)C2 ZINC000408618380 572280108 /nfs/dbraw/zinc/28/01/08/572280108.db2.gz KBXJINSDARLQAH-UHFFFAOYSA-N 1 2 539.985 3.600 40 0 KHABLO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000408618712 572280282 /nfs/dbraw/zinc/28/02/82/572280282.db2.gz FFOATVRMCOCIBZ-UHFFFAOYSA-N 1 2 525.856 3.696 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1 ZINC000408618845 572280377 /nfs/dbraw/zinc/28/03/77/572280377.db2.gz GLDSJGAPJMLJKB-UHFFFAOYSA-N 1 2 511.431 3.909 40 0 KHABLO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1OC ZINC000408618855 572280363 /nfs/dbraw/zinc/28/03/63/572280363.db2.gz HHJMBIKRHFLQQP-NTEUORMPSA-N 1 2 563.720 3.795 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1 ZINC000408618876 572280346 /nfs/dbraw/zinc/28/03/46/572280346.db2.gz HOFJMAPMCLSJIK-MDWZMJQESA-N 1 2 519.667 3.744 40 0 KHABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCC[NH+]2CCOCC2)Cc2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000408619403 572280609 /nfs/dbraw/zinc/28/06/09/572280609.db2.gz HQJBMCMUYWIUBI-UHFFFAOYSA-N 1 2 528.502 3.558 40 0 KHABLO COC(=O)c1c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408619472 572280694 /nfs/dbraw/zinc/28/06/94/572280694.db2.gz MRBQRHQYOWIGMM-UHFFFAOYSA-N 1 2 513.641 3.741 40 0 KHABLO COC(=O)c1c(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)sc2c1CC[N@H+](C)C2 ZINC000408619472 572280693 /nfs/dbraw/zinc/28/06/93/572280693.db2.gz MRBQRHQYOWIGMM-UHFFFAOYSA-N 1 2 513.641 3.741 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000408620205 572280992 /nfs/dbraw/zinc/28/09/92/572280992.db2.gz NJFBWZDXXNMSBJ-UHFFFAOYSA-N 1 2 587.720 3.991 40 0 KHABLO COC(=O)c1c(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000408620205 572280990 /nfs/dbraw/zinc/28/09/90/572280990.db2.gz NJFBWZDXXNMSBJ-UHFFFAOYSA-N 1 2 587.720 3.991 40 0 KHABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OC)c(Br)c2)c1 ZINC000408620983 572281337 /nfs/dbraw/zinc/28/13/37/572281337.db2.gz NGDYGOYNYRIZCJ-FQEVSTJZSA-N 1 2 500.353 3.647 40 0 KHABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OC)c(Br)c2)c1 ZINC000408620986 572281365 /nfs/dbraw/zinc/28/13/65/572281365.db2.gz NGDYGOYNYRIZCJ-HXUWFJFHSA-N 1 2 500.353 3.647 40 0 KHABLO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000408622173 572281961 /nfs/dbraw/zinc/28/19/61/572281961.db2.gz BEZQONWBCMDLIH-FMIVXFBMSA-N 1 2 535.666 3.757 40 0 KHABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc1)C[N@H+](C)CC2 ZINC000408622654 572282270 /nfs/dbraw/zinc/28/22/70/572282270.db2.gz QFVAANJXUANWCK-UHFFFAOYSA-N 1 2 529.640 3.609 40 0 KHABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)cc1)C[N@@H+](C)CC2 ZINC000408622654 572282269 /nfs/dbraw/zinc/28/22/69/572282269.db2.gz QFVAANJXUANWCK-UHFFFAOYSA-N 1 2 529.640 3.609 40 0 KHABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408622735 572282266 /nfs/dbraw/zinc/28/22/66/572282266.db2.gz QVFSJJJTJLUVCH-QPJJXVBHSA-N 1 2 551.640 3.650 40 0 KHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000408623529 572282673 /nfs/dbraw/zinc/28/26/73/572282673.db2.gz RQRYRUMJJHJEHC-MDWZMJQESA-N 1 2 519.667 3.889 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1OC ZINC000408623566 572282718 /nfs/dbraw/zinc/28/27/18/572282718.db2.gz XZOKIBKHMMVTQC-RMKNXTFCSA-N 1 2 553.656 3.896 40 0 KHABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000408624240 572283003 /nfs/dbraw/zinc/28/30/03/572283003.db2.gz RXKWTIZXXJCWID-UHFFFAOYSA-N 1 2 525.856 3.696 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C2CCCCC2)cc1OC ZINC000408625544 572283481 /nfs/dbraw/zinc/28/34/81/572283481.db2.gz XIDOUSGJRKMBOW-FMIVXFBMSA-N 1 2 541.714 3.885 40 0 KHABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCOCC1 ZINC000408625794 572283603 /nfs/dbraw/zinc/28/36/03/572283603.db2.gz UFEMROJELOWYPF-UHFFFAOYSA-N 1 2 519.667 3.563 40 0 KHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000408625957 572283661 /nfs/dbraw/zinc/28/36/61/572283661.db2.gz XOONEQYCVZPVPO-UHFFFAOYSA-N 1 2 510.538 3.621 40 0 KHABLO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408625988 572283637 /nfs/dbraw/zinc/28/36/37/572283637.db2.gz XSNYEAXGOQPMOV-UHFFFAOYSA-N 1 2 525.856 3.696 40 0 KHABLO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408626005 572283655 /nfs/dbraw/zinc/28/36/55/572283655.db2.gz XVSFNNCXBKEBHD-JXMROGBWSA-N 1 2 507.631 3.874 40 0 KHABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000408626120 572283705 /nfs/dbraw/zinc/28/37/05/572283705.db2.gz LZKBDQKBZRWBIX-DHZHZOJOSA-N 1 2 505.640 3.748 40 0 KHABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408626159 572283809 /nfs/dbraw/zinc/28/38/09/572283809.db2.gz ZPTJMZWICJTPDM-JXMROGBWSA-N 1 2 565.692 3.765 40 0 KHABLO COc1cccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000408628109 572284644 /nfs/dbraw/zinc/28/46/44/572284644.db2.gz UGZVLQUJRUCLHP-FMIVXFBMSA-N 1 2 505.640 3.748 40 0 KHABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000408629862 572285473 /nfs/dbraw/zinc/28/54/73/572285473.db2.gz JGWYLRLZOIUUHE-FMIVXFBMSA-N 1 2 535.666 3.757 40 0 KHABLO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)Cc1ccccc1 ZINC000408635386 572292435 /nfs/dbraw/zinc/29/24/35/572292435.db2.gz AIFCSACYXASAAS-UHFFFAOYSA-N 1 2 572.083 3.613 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408635832 572292823 /nfs/dbraw/zinc/29/28/23/572292823.db2.gz HJGRTMOYUPBSOG-LNLBBOMNSA-N 1 2 532.106 3.997 40 0 KHABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)cc1Cl ZINC000408635833 572292853 /nfs/dbraw/zinc/29/28/53/572292853.db2.gz HJGRTMOYUPBSOG-PQCQUMGKSA-N 1 2 532.106 3.997 40 0 KHABLO Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408635996 572292927 /nfs/dbraw/zinc/29/29/27/572292927.db2.gz NPPCDWFIXZOUFM-UHFFFAOYSA-N 1 2 563.676 3.588 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408636166 572293014 /nfs/dbraw/zinc/29/30/14/572293014.db2.gz UVZNZOOLVYAJRN-UHFFFAOYSA-N 1 2 584.094 3.539 40 0 KHABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000408636292 572293170 /nfs/dbraw/zinc/29/31/70/572293170.db2.gz NNYHERQJGLGQAG-UHFFFAOYSA-N 1 2 574.055 3.601 40 0 KHABLO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(Cl)c1 ZINC000408636513 572293409 /nfs/dbraw/zinc/29/34/09/572293409.db2.gz RJVKVLRRWCLNJS-JXMROGBWSA-N 1 2 506.068 3.655 40 0 KHABLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000408636679 572293545 /nfs/dbraw/zinc/29/35/45/572293545.db2.gz SQMCRRSUIDVKOP-UHFFFAOYSA-N 1 2 588.082 3.991 40 0 KHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408674996 572317624 /nfs/dbraw/zinc/31/76/24/572317624.db2.gz FSOPIMNNECLXKH-MDWZMJQESA-N 1 2 505.640 3.645 40 0 KHABLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(C)c2)cc1 ZINC000408675054 572317701 /nfs/dbraw/zinc/31/77/01/572317701.db2.gz QCBNKMICNMMQFW-UHFFFAOYSA-N 1 2 567.664 3.646 40 0 KHABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(C)c2)cc1C ZINC000408675287 572317905 /nfs/dbraw/zinc/31/79/05/572317905.db2.gz UVQHFCXRASHCOK-UHFFFAOYSA-N 1 2 551.665 3.865 40 0 KHABLO Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408675816 572318416 /nfs/dbraw/zinc/31/84/16/572318416.db2.gz KUJWWXAIBWYIBX-UHFFFAOYSA-N 1 2 558.056 3.901 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408680585 572321209 /nfs/dbraw/zinc/32/12/09/572321209.db2.gz NWDBHTUNOZPZQG-WEVVVXLNSA-N 1 2 502.080 3.739 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408694385 1066543433 /nfs/dbraw/zinc/54/34/33/1066543433.db2.gz FFWVIPFCLUIGAY-QPJJXVBHSA-N 1 2 502.080 3.739 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408694876 1066543344 /nfs/dbraw/zinc/54/33/44/1066543344.db2.gz NLZACBRLDFUMSX-RMKNXTFCSA-N 1 2 502.080 3.739 40 0 KHABLO O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408695961 1066542200 /nfs/dbraw/zinc/54/22/00/1066542200.db2.gz WVWNZELXDZWAGP-VMPITWQZSA-N 1 2 520.070 3.879 40 0 KHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000408713799 1066553893 /nfs/dbraw/zinc/55/38/93/1066553893.db2.gz XTWOASJWLNVJGL-MDWZMJQESA-N 1 2 519.667 3.687 40 0 KHABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCOCC1 ZINC000408715003 1066552765 /nfs/dbraw/zinc/55/27/65/1066552765.db2.gz VOMYSYKIJAJNCB-UHFFFAOYSA-N 1 2 551.734 3.977 40 0 KHABLO CCOC(=O)C(Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1)C(=O)OCC ZINC000408750150 1066567540 /nfs/dbraw/zinc/56/75/40/1066567540.db2.gz XSVCJJBKALDCDB-UHFFFAOYSA-N 1 2 570.693 3.523 40 0 KHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1 ZINC000408962216 1066640235 /nfs/dbraw/zinc/64/02/35/1066640235.db2.gz XKGBOPBWUHXIEO-STZFKDTASA-N 1 2 508.376 3.837 40 0 KHABLO COC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000409252245 1066777431 /nfs/dbraw/zinc/77/74/31/1066777431.db2.gz WXLQUMBFZCBVNT-UHFFFAOYSA-N 1 2 515.031 3.988 40 0 KHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409388501 1066824053 /nfs/dbraw/zinc/82/40/53/1066824053.db2.gz DBFPHEDQZKZDSK-UHFFFAOYSA-N 1 2 500.020 3.864 40 0 KHABLO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@@H+](Cc1ccccc1)C2 ZINC000514287416 1066530647 /nfs/dbraw/zinc/53/06/47/1066530647.db2.gz AGOAUBRCBMDWNH-NZFNEECCSA-N 1 2 555.675 3.534 40 0 KHABLO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(-c5ccccc5)ccc41)CC[C@@H]3O)[N@H+](Cc1ccccc1)C2 ZINC000514287416 1066530636 /nfs/dbraw/zinc/53/06/36/1066530636.db2.gz AGOAUBRCBMDWNH-NZFNEECCSA-N 1 2 555.675 3.534 40 0 KHABLO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@@H+](Cc1ccccc1)C2 ZINC000514287642 1066206889 /nfs/dbraw/zinc/20/68/89/1066206889.db2.gz SJPYWWVRTOHKQD-MBFGAFETSA-N 1 2 547.696 3.524 40 0 KHABLO O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4cc(C5CCCC5)ccc41)CC[C@@H]3O)[N@H+](Cc1ccccc1)C2 ZINC000514287642 1066206879 /nfs/dbraw/zinc/20/68/79/1066206879.db2.gz SJPYWWVRTOHKQD-MBFGAFETSA-N 1 2 547.696 3.524 40 0 KHABLO CC(C)CCn1c2nnc(CCC(=O)N3CC[NH+](CCOc4ccc(Cl)cc4)CC3)n2c2ccccc2c1=O ZINC000585148593 1066298731 /nfs/dbraw/zinc/29/87/31/1066298731.db2.gz PWOOTPXBHPSTNG-UHFFFAOYSA-N 1 2 551.091 3.900 40 0 KHABLO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(C)cc3)C2)c1 ZINC000585273207 1066303004 /nfs/dbraw/zinc/30/30/04/1066303004.db2.gz BBNPLHARQXDDEA-PMERELPUSA-N 1 2 520.674 3.697 40 0 KHABLO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(C)cc3)C2)c1 ZINC000585273209 1066303372 /nfs/dbraw/zinc/30/33/72/1066303372.db2.gz BBNPLHARQXDDEA-SSEXGKCCSA-N 1 2 520.674 3.697 40 0 KHABLO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(C)=O)C[C@@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279631 1066312118 /nfs/dbraw/zinc/31/21/18/1066312118.db2.gz DVKPRFQTWLWIKK-GDLZYMKVSA-N 1 2 524.637 3.528 40 0 KHABLO CCc1[nH+]ccn1CCCOc1cccc(CN2CCN(C(C)=O)C[C@](O)(COc3ccc(F)cc3)C2)c1 ZINC000585279637 1066311475 /nfs/dbraw/zinc/31/14/75/1066311475.db2.gz DVKPRFQTWLWIKK-LJAQVGFWSA-N 1 2 524.637 3.528 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585281047 1066307693 /nfs/dbraw/zinc/30/76/93/1066307693.db2.gz DNUFKNLMTQXROQ-BDYUSTAISA-N 1 2 516.038 3.563 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OC ZINC000585281047 1066307677 /nfs/dbraw/zinc/30/76/77/1066307677.db2.gz DNUFKNLMTQXROQ-BDYUSTAISA-N 1 2 516.038 3.563 40 0 KHABLO COc1cc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281200 1066312160 /nfs/dbraw/zinc/31/21/60/1066312160.db2.gz GMRSZFNTXBZAJQ-SVBPBHIXSA-N 1 2 516.038 3.699 40 0 KHABLO CCc1nccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OC ZINC000585281290 1066312899 /nfs/dbraw/zinc/31/28/99/1066312899.db2.gz HSGGOKUFTQBDIY-YTMVLYRLSA-N 1 2 527.637 3.747 40 0 KHABLO CCc1nccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)cc1OC ZINC000585281290 1066312886 /nfs/dbraw/zinc/31/28/86/1066312886.db2.gz HSGGOKUFTQBDIY-YTMVLYRLSA-N 1 2 527.637 3.747 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585281369 1066310438 /nfs/dbraw/zinc/31/04/38/1066310438.db2.gz ITQAGMYGINCZHD-XCZPVHLTSA-N 1 2 530.065 3.953 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)ccc1OC ZINC000585281369 1066310422 /nfs/dbraw/zinc/31/04/22/1066310422.db2.gz ITQAGMYGINCZHD-XCZPVHLTSA-N 1 2 530.065 3.953 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585281492 1066310721 /nfs/dbraw/zinc/31/07/21/1066310721.db2.gz KDKFCABKHUUFCG-BDYUSTAISA-N 1 2 516.038 3.563 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)cc1OC ZINC000585281492 1066310703 /nfs/dbraw/zinc/31/07/03/1066310703.db2.gz KDKFCABKHUUFCG-BDYUSTAISA-N 1 2 516.038 3.563 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)ccc1OC ZINC000585281534 1066310628 /nfs/dbraw/zinc/31/06/28/1066310628.db2.gz KWYJWFZEZAVHKM-YTMVLYRLSA-N 1 2 527.637 3.747 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)c(C)c3)C2)ccc1OC ZINC000585281534 1066310610 /nfs/dbraw/zinc/31/06/10/1066310610.db2.gz KWYJWFZEZAVHKM-YTMVLYRLSA-N 1 2 527.637 3.747 40 0 KHABLO CCc1nccn1CCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585281611 1066310352 /nfs/dbraw/zinc/31/03/52/1066310352.db2.gz NBDPCILDLHVJFK-XCZPVHLTSA-N 1 2 530.065 3.872 40 0 KHABLO CCc1nccn1CCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585281611 1066310335 /nfs/dbraw/zinc/31/03/35/1066310335.db2.gz NBDPCILDLHVJFK-XCZPVHLTSA-N 1 2 530.065 3.872 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585281723 1066309293 /nfs/dbraw/zinc/30/92/93/1066309293.db2.gz QFIFNICOXYLQRM-XCZPVHLTSA-N 1 2 530.065 3.953 40 0 KHABLO CCc1nccn1CCCOc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OC ZINC000585281723 1066309277 /nfs/dbraw/zinc/30/92/77/1066309277.db2.gz QFIFNICOXYLQRM-XCZPVHLTSA-N 1 2 530.065 3.953 40 0 KHABLO COc1cc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)cc3)C2)ccc1OCCCn1cc[nH+]c1C ZINC000585281757 1066308825 /nfs/dbraw/zinc/30/88/25/1066308825.db2.gz QVTBRJDACMEFEF-SVBPBHIXSA-N 1 2 516.038 3.699 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585281945 1066313175 /nfs/dbraw/zinc/31/31/75/1066313175.db2.gz UYJCCAAWZQQMEB-XCZPVHLTSA-N 1 2 530.065 3.872 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)ccc3Cl)C2)cc1OC ZINC000585281945 1066313156 /nfs/dbraw/zinc/31/31/56/1066313156.db2.gz UYJCCAAWZQQMEB-XCZPVHLTSA-N 1 2 530.065 3.872 40 0 KHABLO COc1ccc(CN2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585282175 1066313772 /nfs/dbraw/zinc/31/37/72/1066313772.db2.gz YQAFAXZWKDKNET-SVBPBHIXSA-N 1 2 516.038 3.699 40 0 KHABLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1ccnc1C ZINC000585285000 1066316817 /nfs/dbraw/zinc/31/68/17/1066316817.db2.gz BIXCANSGJODYQW-VMPREFPWSA-N 1 2 509.647 3.581 40 0 KHABLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OCCn1ccnc1C ZINC000585285000 1066316802 /nfs/dbraw/zinc/31/68/02/1066316802.db2.gz BIXCANSGJODYQW-VMPREFPWSA-N 1 2 509.647 3.581 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OC ZINC000585285030 1066317554 /nfs/dbraw/zinc/31/75/54/1066317554.db2.gz BQKLHVMHSKLRRK-FIBWVYCGSA-N 1 2 523.674 3.835 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OC ZINC000585285030 1066317538 /nfs/dbraw/zinc/31/75/38/1066317538.db2.gz BQKLHVMHSKLRRK-FIBWVYCGSA-N 1 2 523.674 3.835 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OC ZINC000585285053 1066317440 /nfs/dbraw/zinc/31/74/40/1066317440.db2.gz BXZLOEBJECANLI-BDYUSTAISA-N 1 2 534.028 3.702 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OC ZINC000585285053 1066317423 /nfs/dbraw/zinc/31/74/23/1066317423.db2.gz BXZLOEBJECANLI-BDYUSTAISA-N 1 2 534.028 3.702 40 0 KHABLO COc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OCCn1ccnc1C ZINC000585285118 1066317286 /nfs/dbraw/zinc/31/72/86/1066317286.db2.gz COANQUYMIYEKBK-YTMVLYRLSA-N 1 2 509.647 3.581 40 0 KHABLO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3c(C)ccc(C)c3C)C2)cc1OCCn1ccnc1C ZINC000585285118 1066317270 /nfs/dbraw/zinc/31/72/70/1066317270.db2.gz COANQUYMIYEKBK-YTMVLYRLSA-N 1 2 509.647 3.581 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OC ZINC000585285938 1066316363 /nfs/dbraw/zinc/31/63/63/1066316363.db2.gz FMQMVAPAGSDDCR-JDXGNMNLSA-N 1 2 523.674 3.835 40 0 KHABLO CCc1nccn1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)cc1OC ZINC000585285938 1066316351 /nfs/dbraw/zinc/31/63/51/1066316351.db2.gz FMQMVAPAGSDDCR-JDXGNMNLSA-N 1 2 523.674 3.835 40 0 KHABLO CCc1nccn1CCCOc1ccc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OC ZINC000585286716 1066317101 /nfs/dbraw/zinc/31/71/01/1066317101.db2.gz HYPKSWRYATUYTP-JDXGNMNLSA-N 1 2 523.674 3.917 40 0 KHABLO CCc1nccn1CCCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3)C2)cc1OC ZINC000585286716 1066317082 /nfs/dbraw/zinc/31/70/82/1066317082.db2.gz HYPKSWRYATUYTP-JDXGNMNLSA-N 1 2 523.674 3.917 40 0 KHABLO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1ccnc1C ZINC000585287245 1066315053 /nfs/dbraw/zinc/31/50/53/1066315053.db2.gz LKIYMTOPIBUBKL-VMPREFPWSA-N 1 2 509.647 3.581 40 0 KHABLO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cc(C)cc(C)c3C)C2)ccc1OCCn1ccnc1C ZINC000585287245 1066315040 /nfs/dbraw/zinc/31/50/40/1066315040.db2.gz LKIYMTOPIBUBKL-VMPREFPWSA-N 1 2 509.647 3.581 40 0 KHABLO CN(Cc1ccccc1)C(=O)C[C@]1(COc2ccc(Cl)cc2)CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000585287466 1066315279 /nfs/dbraw/zinc/31/52/79/1066315279.db2.gz XPALJCOJFQBGAS-HHHXNRCGSA-N 1 2 511.022 3.652 40 0 KHABLO CN(Cc1ccccc1)C(=O)C[C@@]1(COc2ccc(Cl)cc2)CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000585287467 1066315496 /nfs/dbraw/zinc/31/54/96/1066315496.db2.gz XPALJCOJFQBGAS-MHZLTWQESA-N 1 2 511.022 3.652 40 0 KHABLO COc1ccc(CN2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1OCCCn1cc[nH+]c1C ZINC000585288265 1066316293 /nfs/dbraw/zinc/31/62/93/1066316293.db2.gz ZTKCBJCPFZYGQA-SVBPBHIXSA-N 1 2 534.028 3.838 40 0 KHABLO COc1cccc(C[N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)c1 ZINC000958317769 1066841116 /nfs/dbraw/zinc/84/11/16/1066841116.db2.gz LSKIYAVDPPKTMC-ZEQRLZLVSA-N 1 2 503.643 3.779 40 0 KHABLO COc1cccc(C[N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)c1 ZINC000958317769 1066841108 /nfs/dbraw/zinc/84/11/08/1066841108.db2.gz LSKIYAVDPPKTMC-ZEQRLZLVSA-N 1 2 503.643 3.779 40 0 KHABLO COc1ccc(C[N@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)cc1 ZINC000958317913 1066841424 /nfs/dbraw/zinc/84/14/24/1066841424.db2.gz ZLZRUEOYYMGMJR-ZEQRLZLVSA-N 1 2 503.643 3.779 40 0 KHABLO COc1ccc(C[N@@H+]2Cc3ccccc3OCC=C[C@H]3CN(CC[C@H]3CC(=O)NC3CC3)C(=O)C2)cc1 ZINC000958317913 1066841417 /nfs/dbraw/zinc/84/14/17/1066841417.db2.gz ZLZRUEOYYMGMJR-ZEQRLZLVSA-N 1 2 503.643 3.779 40 0 KHABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC001534604554 1066873412 /nfs/dbraw/zinc/87/34/12/1066873412.db2.gz ZXQICEAKJZVZGO-QNVWVOQGSA-N 1 2 624.653 3.547 40 0 KHABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2ccc(F)cc2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC001534604554 1066873400 /nfs/dbraw/zinc/87/34/00/1066873400.db2.gz ZXQICEAKJZVZGO-QNVWVOQGSA-N 1 2 624.653 3.547 40 0 KHABLO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@@H+](Cc4csnn4)CC[C@H]3CC2=O)cc1 ZINC001534613806 1066873315 /nfs/dbraw/zinc/87/33/15/1066873315.db2.gz YZHSFNSJERQONA-FXSPECFOSA-N 1 2 530.735 3.644 40 0 KHABLO COc1ccc(CCN2C[C@H](O)C(C)(C)COCCC[C@H]3C[N@H+](Cc4csnn4)CC[C@H]3CC2=O)cc1 ZINC001534613806 1066873305 /nfs/dbraw/zinc/87/33/05/1066873305.db2.gz YZHSFNSJERQONA-FXSPECFOSA-N 1 2 530.735 3.644 40 0 KHABLO CCCCNc1nc2c(c[nH+]1)c(-c1ccc(S(=O)(=O)N3CCOCC3)cc1)nn2C1CCC(O)CC1 ZINC001560406041 1066878499 /nfs/dbraw/zinc/87/84/99/1066878499.db2.gz AGXUHDLGVMNDPT-UHFFFAOYSA-N 1 2 513.644 3.746 40 0 KHABLO OC(COc1cccc2ncccc21)C[NH+]1CCN(C2=c3ccccc3=C3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC001560410172 1066878848 /nfs/dbraw/zinc/87/88/48/1066878848.db2.gz BARMHWBNXQMJPU-GDLZYMKVSA-N 1 2 524.591 3.889 40 0 KHABLO OC(COc1cccc2ncccc21)CN1CC[NH+](C2=c3ccccc3=C3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC001560410172 1066878843 /nfs/dbraw/zinc/87/88/43/1066878843.db2.gz BARMHWBNXQMJPU-GDLZYMKVSA-N 1 2 524.591 3.889 40 0 KHABLO