smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000879381 551555552 /nfs/dbraw/zinc/55/55/52/551555552.db2.gz QSJLKITUXDPAKS-UHFFFAOYSA-N 1 2 501.052 4.111 40 0 KIABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)COc3ccc(C)cc3)n2)c1 ZINC000000881198 551556055 /nfs/dbraw/zinc/55/60/55/551556055.db2.gz RXFSKXCDFHOZHF-UHFFFAOYSA-N 1 2 511.644 4.270 40 0 KIABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925668 551579109 /nfs/dbraw/zinc/57/91/09/551579109.db2.gz KRKMGDXSSIWFOL-UHFFFAOYSA-N 1 2 504.635 4.230 40 0 KIABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000925668 551579107 /nfs/dbraw/zinc/57/91/07/551579107.db2.gz KRKMGDXSSIWFOL-UHFFFAOYSA-N 1 2 504.635 4.230 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925698 551579159 /nfs/dbraw/zinc/57/91/59/551579159.db2.gz AFCXIIKIGUHYOF-UHFFFAOYSA-N 1 2 502.619 4.200 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925698 551579155 /nfs/dbraw/zinc/57/91/55/551579155.db2.gz AFCXIIKIGUHYOF-UHFFFAOYSA-N 1 2 502.619 4.200 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925808 551579063 /nfs/dbraw/zinc/57/90/63/551579063.db2.gz ZFHFYKGWPKZFMY-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925808 551579059 /nfs/dbraw/zinc/57/90/59/551579059.db2.gz ZFHFYKGWPKZFMY-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000925839 551579169 /nfs/dbraw/zinc/57/91/69/551579169.db2.gz KYICTGSFPNMXAX-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000925839 551579166 /nfs/dbraw/zinc/57/91/66/551579166.db2.gz KYICTGSFPNMXAX-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000925887 551579193 /nfs/dbraw/zinc/57/91/93/551579193.db2.gz WUCZJEVBWNURAH-UHFFFAOYSA-N 1 2 504.635 4.094 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000925887 551579189 /nfs/dbraw/zinc/57/91/89/551579189.db2.gz WUCZJEVBWNURAH-UHFFFAOYSA-N 1 2 504.635 4.094 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000000926017 551579136 /nfs/dbraw/zinc/57/91/36/551579136.db2.gz VOYDWAPNJXRPKS-UHFFFAOYSA-N 1 2 538.652 4.387 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000000926017 551579132 /nfs/dbraw/zinc/57/91/32/551579132.db2.gz VOYDWAPNJXRPKS-UHFFFAOYSA-N 1 2 538.652 4.387 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000000926041 551579095 /nfs/dbraw/zinc/57/90/95/551579095.db2.gz HESUCSJRBTXTAK-UHFFFAOYSA-N 1 2 508.626 4.379 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000000926041 551579093 /nfs/dbraw/zinc/57/90/93/551579093.db2.gz HESUCSJRBTXTAK-UHFFFAOYSA-N 1 2 508.626 4.379 40 0 KIABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926093 551579510 /nfs/dbraw/zinc/57/95/10/551579510.db2.gz RPSIJCIMKZLYLI-UHFFFAOYSA-N 1 2 504.635 4.230 40 0 KIABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000000926093 551579509 /nfs/dbraw/zinc/57/95/09/551579509.db2.gz RPSIJCIMKZLYLI-UHFFFAOYSA-N 1 2 504.635 4.230 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926198 551579562 /nfs/dbraw/zinc/57/95/62/551579562.db2.gz MIMMNGLYAROIPC-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926198 551579561 /nfs/dbraw/zinc/57/95/61/551579561.db2.gz MIMMNGLYAROIPC-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000926222 551579524 /nfs/dbraw/zinc/57/95/24/551579524.db2.gz VNBRDHVSZUEBPW-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000000926222 551579522 /nfs/dbraw/zinc/57/95/22/551579522.db2.gz VNBRDHVSZUEBPW-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926305 551579507 /nfs/dbraw/zinc/57/95/07/551579507.db2.gz HFYVZBQOYVBMSM-UHFFFAOYSA-N 1 2 502.619 4.200 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926305 551579506 /nfs/dbraw/zinc/57/95/06/551579506.db2.gz HFYVZBQOYVBMSM-UHFFFAOYSA-N 1 2 502.619 4.200 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926401 551579545 /nfs/dbraw/zinc/57/95/45/551579545.db2.gz DONNWFPABOMUQF-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000000926401 551579543 /nfs/dbraw/zinc/57/95/43/551579543.db2.gz DONNWFPABOMUQF-UHFFFAOYSA-N 1 2 524.625 4.133 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000926430 551579519 /nfs/dbraw/zinc/57/95/19/551579519.db2.gz WLYCBJLAXGJVQI-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000926430 551579518 /nfs/dbraw/zinc/57/95/18/551579518.db2.gz WLYCBJLAXGJVQI-UHFFFAOYSA-N 1 2 554.651 4.142 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926471 551579570 /nfs/dbraw/zinc/57/95/70/551579570.db2.gz AOIUJZYSOXSXEC-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926471 551579568 /nfs/dbraw/zinc/57/95/68/551579568.db2.gz AOIUJZYSOXSXEC-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926622 551579527 /nfs/dbraw/zinc/57/95/27/551579527.db2.gz QDYHKFYCBUJNFY-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000000926622 551579526 /nfs/dbraw/zinc/57/95/26/551579526.db2.gz QDYHKFYCBUJNFY-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926648 551579575 /nfs/dbraw/zinc/57/95/75/551579575.db2.gz OZSFXJYMMLFTPO-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926648 551579573 /nfs/dbraw/zinc/57/95/73/551579573.db2.gz OZSFXJYMMLFTPO-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926650 551579551 /nfs/dbraw/zinc/57/95/51/551579551.db2.gz AUMZJVWXWHGUDE-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000926650 551579549 /nfs/dbraw/zinc/57/95/49/551579549.db2.gz AUMZJVWXWHGUDE-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000926855 551579965 /nfs/dbraw/zinc/57/99/65/551579965.db2.gz PIDJEOKMCDUNKQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000926855 551579962 /nfs/dbraw/zinc/57/99/62/551579962.db2.gz PIDJEOKMCDUNKQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000926857 551579831 /nfs/dbraw/zinc/57/98/31/551579831.db2.gz AFQLXYBMEODMIX-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000926857 551579828 /nfs/dbraw/zinc/57/98/28/551579828.db2.gz AFQLXYBMEODMIX-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926899 551579869 /nfs/dbraw/zinc/57/98/69/551579869.db2.gz QWHIPEFCTSDSIC-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000926899 551579868 /nfs/dbraw/zinc/57/98/68/551579868.db2.gz QWHIPEFCTSDSIC-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000927044 551579990 /nfs/dbraw/zinc/57/99/90/551579990.db2.gz ZFFRBIFTJHVZFV-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000000927044 551579987 /nfs/dbraw/zinc/57/99/87/551579987.db2.gz ZFFRBIFTJHVZFV-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000927060 551579842 /nfs/dbraw/zinc/57/98/42/551579842.db2.gz FXQUKLBLUAPOCQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000927060 551579840 /nfs/dbraw/zinc/57/98/40/551579840.db2.gz FXQUKLBLUAPOCQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927222 551579892 /nfs/dbraw/zinc/57/98/92/551579892.db2.gz GQFDLOOMFSORMC-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC ZINC000000927222 551579891 /nfs/dbraw/zinc/57/98/91/551579891.db2.gz GQFDLOOMFSORMC-UHFFFAOYSA-N 1 2 538.652 4.442 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000927244 551579899 /nfs/dbraw/zinc/57/98/99/551579899.db2.gz QSORRWSMYDPGMQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000927244 551579898 /nfs/dbraw/zinc/57/98/98/551579898.db2.gz QSORRWSMYDPGMQ-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000927246 551579948 /nfs/dbraw/zinc/57/99/48/551579948.db2.gz MQBMLYOQQPKXJD-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccc(OC)c(OC)c2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000927246 551579946 /nfs/dbraw/zinc/57/99/46/551579946.db2.gz MQBMLYOQQPKXJD-UHFFFAOYSA-N 1 2 568.678 4.450 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927294 551580309 /nfs/dbraw/zinc/58/03/09/551580309.db2.gz KCYOYZSKIZUGJQ-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000000927294 551580307 /nfs/dbraw/zinc/58/03/07/551580307.db2.gz KCYOYZSKIZUGJQ-UHFFFAOYSA-N 1 2 504.635 4.149 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@@H+](CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000927455 551580286 /nfs/dbraw/zinc/58/02/86/551580286.db2.gz BNLROHLHHXWCLO-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc(Cn2nnnc2C[N@H+](CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000927455 551580284 /nfs/dbraw/zinc/58/02/84/551580284.db2.gz BNLROHLHHXWCLO-UHFFFAOYSA-N 1 2 508.626 4.433 40 0 KIABLO COc1ccc2cc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927573 551580194 /nfs/dbraw/zinc/58/01/94/551580194.db2.gz AHEKGXGMMKNUSS-UHFFFAOYSA-N 1 2 532.645 4.291 40 0 KIABLO COc1ccc2cc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927573 551580191 /nfs/dbraw/zinc/58/01/91/551580191.db2.gz AHEKGXGMMKNUSS-UHFFFAOYSA-N 1 2 532.645 4.291 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000927970 551580547 /nfs/dbraw/zinc/58/05/47/551580547.db2.gz GQVDIYPAEMWFOM-UHFFFAOYSA-N 1 2 532.645 4.291 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000000927970 551580543 /nfs/dbraw/zinc/58/05/43/551580543.db2.gz GQVDIYPAEMWFOM-UHFFFAOYSA-N 1 2 532.645 4.291 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000000928101 551580660 /nfs/dbraw/zinc/58/06/60/551580660.db2.gz XWGRGUQXSWZBMA-UHFFFAOYSA-N 1 2 524.625 4.215 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000000928101 551580656 /nfs/dbraw/zinc/58/06/56/551580656.db2.gz XWGRGUQXSWZBMA-UHFFFAOYSA-N 1 2 524.625 4.215 40 0 KIABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 ZINC000000931578 551584637 /nfs/dbraw/zinc/58/46/37/551584637.db2.gz FRQTUXKXNNKWOX-UHFFFAOYSA-N 1 2 501.052 4.030 40 0 KIABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000000931579 551584619 /nfs/dbraw/zinc/58/46/19/551584619.db2.gz HUTATZJNSMESLM-UHFFFAOYSA-N 1 2 501.052 4.030 40 0 KIABLO CCOc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)c(Cl)cc3[nH]c2=O)cc1 ZINC000000931580 551584671 /nfs/dbraw/zinc/58/46/71/551584671.db2.gz OSODWAFKXADDBO-UHFFFAOYSA-N 1 2 515.079 4.420 40 0 KIABLO COc1cc(C(=O)N(CCC[NH+]2CCOCC2)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1OC ZINC000000932871 551585201 /nfs/dbraw/zinc/58/52/01/551585201.db2.gz WXQVHWLGUPXPSJ-UHFFFAOYSA-N 1 2 515.607 4.344 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325143 551642885 /nfs/dbraw/zinc/64/28/85/551642885.db2.gz IBONWWOWUCUZOX-QFIPXVFZSA-N 1 2 546.628 4.313 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325143 551642882 /nfs/dbraw/zinc/64/28/82/551642882.db2.gz IBONWWOWUCUZOX-QFIPXVFZSA-N 1 2 546.628 4.313 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325144 551642833 /nfs/dbraw/zinc/64/28/33/551642833.db2.gz IBONWWOWUCUZOX-JOCHJYFZSA-N 1 2 546.628 4.313 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325144 551642830 /nfs/dbraw/zinc/64/28/30/551642830.db2.gz IBONWWOWUCUZOX-JOCHJYFZSA-N 1 2 546.628 4.313 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325196 551642767 /nfs/dbraw/zinc/64/27/67/551642767.db2.gz XNBWKIIATCOLHI-QHCPKHFHSA-N 1 2 544.612 4.283 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325196 551642762 /nfs/dbraw/zinc/64/27/62/551642762.db2.gz XNBWKIIATCOLHI-QHCPKHFHSA-N 1 2 544.612 4.283 40 0 KIABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325198 551642805 /nfs/dbraw/zinc/64/28/05/551642805.db2.gz XNBWKIIATCOLHI-HSZRJFAPSA-N 1 2 544.612 4.283 40 0 KIABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001325198 551642800 /nfs/dbraw/zinc/64/28/00/551642800.db2.gz XNBWKIIATCOLHI-HSZRJFAPSA-N 1 2 544.612 4.283 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326009 551643082 /nfs/dbraw/zinc/64/30/82/551643082.db2.gz FJZHHRYCTDUHNU-SANMLTNESA-N 1 2 522.609 4.488 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326009 551643080 /nfs/dbraw/zinc/64/30/80/551643080.db2.gz FJZHHRYCTDUHNU-SANMLTNESA-N 1 2 522.609 4.488 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326012 551643214 /nfs/dbraw/zinc/64/32/14/551643214.db2.gz FJZHHRYCTDUHNU-AREMUKBSSA-N 1 2 522.609 4.488 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001326012 551643213 /nfs/dbraw/zinc/64/32/13/551643213.db2.gz FJZHHRYCTDUHNU-AREMUKBSSA-N 1 2 522.609 4.488 40 0 KIABLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1Cl ZINC000001328575 551643994 /nfs/dbraw/zinc/64/39/94/551643994.db2.gz YMCWAKVPJNBNPJ-UHFFFAOYSA-N 1 2 504.974 4.072 40 0 KIABLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 ZINC000001328581 551643944 /nfs/dbraw/zinc/64/39/44/551643944.db2.gz GTFHWPJGLIADNC-UHFFFAOYSA-N 1 2 504.974 4.072 40 0 KIABLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1 ZINC000001328794 551644363 /nfs/dbraw/zinc/64/43/63/551644363.db2.gz QXQXWJUGRKTLQQ-UHFFFAOYSA-N 1 2 524.499 4.442 40 0 KIABLO CC(C)[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334483 551645359 /nfs/dbraw/zinc/64/53/59/551645359.db2.gz NXWBURGHGSYIRP-MHZLTWQESA-N 1 2 544.587 4.466 40 0 KIABLO CC(C)[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334483 551645358 /nfs/dbraw/zinc/64/53/58/551645358.db2.gz NXWBURGHGSYIRP-MHZLTWQESA-N 1 2 544.587 4.466 40 0 KIABLO CC(C)[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334484 551645307 /nfs/dbraw/zinc/64/53/07/551645307.db2.gz NXWBURGHGSYIRP-HHHXNRCGSA-N 1 2 544.587 4.466 40 0 KIABLO CC(C)[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001334484 551645305 /nfs/dbraw/zinc/64/53/05/551645305.db2.gz NXWBURGHGSYIRP-HHHXNRCGSA-N 1 2 544.587 4.466 40 0 KIABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000001346388 551647023 /nfs/dbraw/zinc/64/70/23/551647023.db2.gz HBBWCGJBQLCSIX-UHFFFAOYSA-N 1 2 522.656 4.029 40 0 KIABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1C ZINC000001346446 551647090 /nfs/dbraw/zinc/64/70/90/551647090.db2.gz LDIZXGIDSHBITD-UHFFFAOYSA-N 1 2 536.683 4.338 40 0 KIABLO Cc1cc2cc([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000001362240 551648607 /nfs/dbraw/zinc/64/86/07/551648607.db2.gz JJQUAFVJSDBSMO-HKBQPEDESA-N 1 2 577.689 4.010 40 0 KIABLO Cc1cc2cc([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000001362243 551648598 /nfs/dbraw/zinc/64/85/98/551648598.db2.gz JJQUAFVJSDBSMO-WJOKGBTCSA-N 1 2 577.689 4.010 40 0 KIABLO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4[nH+]cnc5c4cnn5-c4ccccc4)CC3)cc12 ZINC000001372337 551649928 /nfs/dbraw/zinc/64/99/28/551649928.db2.gz VMPAXKLUVLBNMX-UHFFFAOYSA-N 1 2 520.622 4.487 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373003 551651452 /nfs/dbraw/zinc/65/14/52/551651452.db2.gz DCNCPTXGNCPWLK-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373003 551651449 /nfs/dbraw/zinc/65/14/49/551651449.db2.gz DCNCPTXGNCPWLK-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000001373177 551651466 /nfs/dbraw/zinc/65/14/66/551651466.db2.gz UQWJZSCNPXHWDH-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1OC ZINC000001373177 551651464 /nfs/dbraw/zinc/65/14/64/551651464.db2.gz UQWJZSCNPXHWDH-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373179 551651539 /nfs/dbraw/zinc/65/15/39/551651539.db2.gz JGVGMDPLKPKYNH-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC ZINC000001373179 551651536 /nfs/dbraw/zinc/65/15/36/551651536.db2.gz JGVGMDPLKPKYNH-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000001373181 551651420 /nfs/dbraw/zinc/65/14/20/551651420.db2.gz ZGSCQLNRANGHJF-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1OC ZINC000001373181 551651418 /nfs/dbraw/zinc/65/14/18/551651418.db2.gz ZGSCQLNRANGHJF-UHFFFAOYSA-N 1 2 528.613 4.035 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373317 551651876 /nfs/dbraw/zinc/65/18/76/551651876.db2.gz NSFGDWAVECRMMW-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000001373317 551651874 /nfs/dbraw/zinc/65/18/74/551651874.db2.gz NSFGDWAVECRMMW-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1C1CCCCC1)OCCO3 ZINC000001373802 551652533 /nfs/dbraw/zinc/65/25/33/551652533.db2.gz ZLXCNCVYRICUTG-UHFFFAOYSA-N 1 2 500.603 4.036 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1C1CCCCC1)OCCO3 ZINC000001373802 551652531 /nfs/dbraw/zinc/65/25/31/551652531.db2.gz ZLXCNCVYRICUTG-UHFFFAOYSA-N 1 2 500.603 4.036 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373804 551652555 /nfs/dbraw/zinc/65/25/55/551652555.db2.gz YVXROZKSADHRMJ-UHFFFAOYSA-N 1 2 560.655 4.053 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1OC ZINC000001373804 551652552 /nfs/dbraw/zinc/65/25/52/551652552.db2.gz YVXROZKSADHRMJ-UHFFFAOYSA-N 1 2 560.655 4.053 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374306 551653506 /nfs/dbraw/zinc/65/35/06/551653506.db2.gz HDLRWMRPPLCLTI-DEOSSOPVSA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374306 551653505 /nfs/dbraw/zinc/65/35/05/551653505.db2.gz HDLRWMRPPLCLTI-DEOSSOPVSA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374307 551653503 /nfs/dbraw/zinc/65/35/03/551653503.db2.gz HDLRWMRPPLCLTI-XMMPIXPASA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374307 551653502 /nfs/dbraw/zinc/65/35/02/551653502.db2.gz HDLRWMRPPLCLTI-XMMPIXPASA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374357 551653646 /nfs/dbraw/zinc/65/36/46/551653646.db2.gz TUMNSZXNODRFOZ-QFIPXVFZSA-N 1 2 504.591 4.160 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374357 551653645 /nfs/dbraw/zinc/65/36/45/551653645.db2.gz TUMNSZXNODRFOZ-QFIPXVFZSA-N 1 2 504.591 4.160 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374358 551653622 /nfs/dbraw/zinc/65/36/22/551653622.db2.gz TUMNSZXNODRFOZ-JOCHJYFZSA-N 1 2 504.591 4.160 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374358 551653620 /nfs/dbraw/zinc/65/36/20/551653620.db2.gz TUMNSZXNODRFOZ-JOCHJYFZSA-N 1 2 504.591 4.160 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374426 551653579 /nfs/dbraw/zinc/65/35/79/551653579.db2.gz LXPMMUWPLALENZ-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374426 551653577 /nfs/dbraw/zinc/65/35/77/551653577.db2.gz LXPMMUWPLALENZ-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374427 551653607 /nfs/dbraw/zinc/65/36/07/551653607.db2.gz LXPMMUWPLALENZ-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374427 551653604 /nfs/dbraw/zinc/65/36/04/551653604.db2.gz LXPMMUWPLALENZ-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374457 551653780 /nfs/dbraw/zinc/65/37/80/551653780.db2.gz UCCSFGHHYYTSGL-MHZLTWQESA-N 1 2 568.634 4.462 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374457 551653777 /nfs/dbraw/zinc/65/37/77/551653777.db2.gz UCCSFGHHYYTSGL-MHZLTWQESA-N 1 2 568.634 4.462 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374458 551653589 /nfs/dbraw/zinc/65/35/89/551653589.db2.gz UCCSFGHHYYTSGL-HHHXNRCGSA-N 1 2 568.634 4.462 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374458 551653586 /nfs/dbraw/zinc/65/35/86/551653586.db2.gz UCCSFGHHYYTSGL-HHHXNRCGSA-N 1 2 568.634 4.462 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374540 551654072 /nfs/dbraw/zinc/65/40/72/551654072.db2.gz IZMKCSZZPBNMLK-VWLOTQADSA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374540 551654071 /nfs/dbraw/zinc/65/40/71/551654071.db2.gz IZMKCSZZPBNMLK-VWLOTQADSA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374541 551654063 /nfs/dbraw/zinc/65/40/63/551654063.db2.gz IZMKCSZZPBNMLK-RUZDIDTESA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374541 551654062 /nfs/dbraw/zinc/65/40/62/551654062.db2.gz IZMKCSZZPBNMLK-RUZDIDTESA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374544 551654315 /nfs/dbraw/zinc/65/43/15/551654315.db2.gz GKDFKHWKRYWTOX-SANMLTNESA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374544 551654313 /nfs/dbraw/zinc/65/43/13/551654313.db2.gz GKDFKHWKRYWTOX-SANMLTNESA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374545 551654528 /nfs/dbraw/zinc/65/45/28/551654528.db2.gz GKDFKHWKRYWTOX-AREMUKBSSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374545 551654526 /nfs/dbraw/zinc/65/45/26/551654526.db2.gz GKDFKHWKRYWTOX-AREMUKBSSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374548 551654457 /nfs/dbraw/zinc/65/44/57/551654457.db2.gz YKHWPTAUQYHWKO-DEOSSOPVSA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374548 551654455 /nfs/dbraw/zinc/65/44/55/551654455.db2.gz YKHWPTAUQYHWKO-DEOSSOPVSA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374549 551654367 /nfs/dbraw/zinc/65/43/67/551654367.db2.gz YKHWPTAUQYHWKO-XMMPIXPASA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374549 551654366 /nfs/dbraw/zinc/65/43/66/551654366.db2.gz YKHWPTAUQYHWKO-XMMPIXPASA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374671 551654592 /nfs/dbraw/zinc/65/45/92/551654592.db2.gz PGHLXHFFKRFLFQ-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374671 551654591 /nfs/dbraw/zinc/65/45/91/551654591.db2.gz PGHLXHFFKRFLFQ-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374672 551654709 /nfs/dbraw/zinc/65/47/09/551654709.db2.gz PGHLXHFFKRFLFQ-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374672 551654706 /nfs/dbraw/zinc/65/47/06/551654706.db2.gz PGHLXHFFKRFLFQ-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374756 551654898 /nfs/dbraw/zinc/65/48/98/551654898.db2.gz UGTYCYFZZKKSKI-VWLOTQADSA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374756 551654897 /nfs/dbraw/zinc/65/48/97/551654897.db2.gz UGTYCYFZZKKSKI-VWLOTQADSA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374757 551654882 /nfs/dbraw/zinc/65/48/82/551654882.db2.gz UGTYCYFZZKKSKI-RUZDIDTESA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374757 551654881 /nfs/dbraw/zinc/65/48/81/551654881.db2.gz UGTYCYFZZKKSKI-RUZDIDTESA-N 1 2 502.550 4.457 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374760 551654959 /nfs/dbraw/zinc/65/49/59/551654959.db2.gz RAIWZQUYENUEHE-SANMLTNESA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374760 551654956 /nfs/dbraw/zinc/65/49/56/551654956.db2.gz RAIWZQUYENUEHE-SANMLTNESA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374761 551655022 /nfs/dbraw/zinc/65/50/22/551655022.db2.gz RAIWZQUYENUEHE-AREMUKBSSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374761 551655020 /nfs/dbraw/zinc/65/50/20/551655020.db2.gz RAIWZQUYENUEHE-AREMUKBSSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374798 551655028 /nfs/dbraw/zinc/65/50/28/551655028.db2.gz BHZGQSNNHIBZJG-QFIPXVFZSA-N 1 2 506.582 4.333 40 0 KIABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374798 551655026 /nfs/dbraw/zinc/65/50/26/551655026.db2.gz BHZGQSNNHIBZJG-QFIPXVFZSA-N 1 2 506.582 4.333 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374799 551654877 /nfs/dbraw/zinc/65/48/77/551654877.db2.gz BHZGQSNNHIBZJG-JOCHJYFZSA-N 1 2 506.582 4.333 40 0 KIABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374799 551654875 /nfs/dbraw/zinc/65/48/75/551654875.db2.gz BHZGQSNNHIBZJG-JOCHJYFZSA-N 1 2 506.582 4.333 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374852 551655313 /nfs/dbraw/zinc/65/53/13/551655313.db2.gz TWNBNXDDUVISLN-DEOSSOPVSA-N 1 2 512.570 4.081 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374852 551655310 /nfs/dbraw/zinc/65/53/10/551655310.db2.gz TWNBNXDDUVISLN-DEOSSOPVSA-N 1 2 512.570 4.081 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374853 551655422 /nfs/dbraw/zinc/65/54/22/551655422.db2.gz TWNBNXDDUVISLN-XMMPIXPASA-N 1 2 512.570 4.081 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374853 551655420 /nfs/dbraw/zinc/65/54/20/551655420.db2.gz TWNBNXDDUVISLN-XMMPIXPASA-N 1 2 512.570 4.081 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374860 551655323 /nfs/dbraw/zinc/65/53/23/551655323.db2.gz LHCJNSMWOXRSOK-DEOSSOPVSA-N 1 2 530.560 4.220 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374860 551655320 /nfs/dbraw/zinc/65/53/20/551655320.db2.gz LHCJNSMWOXRSOK-DEOSSOPVSA-N 1 2 530.560 4.220 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374861 551655373 /nfs/dbraw/zinc/65/53/73/551655373.db2.gz LHCJNSMWOXRSOK-XMMPIXPASA-N 1 2 530.560 4.220 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374861 551655372 /nfs/dbraw/zinc/65/53/72/551655372.db2.gz LHCJNSMWOXRSOK-XMMPIXPASA-N 1 2 530.560 4.220 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374864 551655387 /nfs/dbraw/zinc/65/53/87/551655387.db2.gz AELSQPPWXLJSLI-VWLOTQADSA-N 1 2 542.596 4.089 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374864 551655386 /nfs/dbraw/zinc/65/53/86/551655386.db2.gz AELSQPPWXLJSLI-VWLOTQADSA-N 1 2 542.596 4.089 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374865 551655302 /nfs/dbraw/zinc/65/53/02/551655302.db2.gz AELSQPPWXLJSLI-RUZDIDTESA-N 1 2 542.596 4.089 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374865 551655301 /nfs/dbraw/zinc/65/53/01/551655301.db2.gz AELSQPPWXLJSLI-RUZDIDTESA-N 1 2 542.596 4.089 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374872 551655380 /nfs/dbraw/zinc/65/53/80/551655380.db2.gz RUWITTSGEHGMFU-QFIPXVFZSA-N 1 2 518.599 4.142 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374872 551655377 /nfs/dbraw/zinc/65/53/77/551655377.db2.gz RUWITTSGEHGMFU-QFIPXVFZSA-N 1 2 518.599 4.142 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374873 551655428 /nfs/dbraw/zinc/65/54/28/551655428.db2.gz RUWITTSGEHGMFU-JOCHJYFZSA-N 1 2 518.599 4.142 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374873 551655426 /nfs/dbraw/zinc/65/54/26/551655426.db2.gz RUWITTSGEHGMFU-JOCHJYFZSA-N 1 2 518.599 4.142 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374888 551655545 /nfs/dbraw/zinc/65/55/45/551655545.db2.gz XIZLOWGYUKUWSS-SANMLTNESA-N 1 2 580.645 4.411 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374888 551655543 /nfs/dbraw/zinc/65/55/43/551655543.db2.gz XIZLOWGYUKUWSS-SANMLTNESA-N 1 2 580.645 4.411 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374889 551655560 /nfs/dbraw/zinc/65/55/60/551655560.db2.gz XIZLOWGYUKUWSS-AREMUKBSSA-N 1 2 580.645 4.411 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000001374889 551655558 /nfs/dbraw/zinc/65/55/58/551655558.db2.gz XIZLOWGYUKUWSS-AREMUKBSSA-N 1 2 580.645 4.411 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374963 551656039 /nfs/dbraw/zinc/65/60/39/551656039.db2.gz JLSHPKBFDTZZHO-DEOSSOPVSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374963 551656037 /nfs/dbraw/zinc/65/60/37/551656037.db2.gz JLSHPKBFDTZZHO-DEOSSOPVSA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374964 551656060 /nfs/dbraw/zinc/65/60/60/551656060.db2.gz JLSHPKBFDTZZHO-XMMPIXPASA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374964 551656059 /nfs/dbraw/zinc/65/60/59/551656059.db2.gz JLSHPKBFDTZZHO-XMMPIXPASA-N 1 2 514.586 4.327 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374967 551656005 /nfs/dbraw/zinc/65/60/05/551656005.db2.gz OBKIDEXEBPZKFM-DEOSSOPVSA-N 1 2 532.576 4.466 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374967 551656003 /nfs/dbraw/zinc/65/60/03/551656003.db2.gz OBKIDEXEBPZKFM-DEOSSOPVSA-N 1 2 532.576 4.466 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374968 551656034 /nfs/dbraw/zinc/65/60/34/551656034.db2.gz OBKIDEXEBPZKFM-XMMPIXPASA-N 1 2 532.576 4.466 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374968 551656032 /nfs/dbraw/zinc/65/60/32/551656032.db2.gz OBKIDEXEBPZKFM-XMMPIXPASA-N 1 2 532.576 4.466 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374971 551656044 /nfs/dbraw/zinc/65/60/44/551656044.db2.gz NEHNNPCAAVTZKN-RUZDIDTESA-N 1 2 544.612 4.335 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374971 551656043 /nfs/dbraw/zinc/65/60/43/551656043.db2.gz NEHNNPCAAVTZKN-RUZDIDTESA-N 1 2 544.612 4.335 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374972 551655974 /nfs/dbraw/zinc/65/59/74/551655974.db2.gz NEHNNPCAAVTZKN-VWLOTQADSA-N 1 2 544.612 4.335 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374972 551655972 /nfs/dbraw/zinc/65/59/72/551655972.db2.gz NEHNNPCAAVTZKN-VWLOTQADSA-N 1 2 544.612 4.335 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374973 551655912 /nfs/dbraw/zinc/65/59/12/551655912.db2.gz RYXCNHDGDUFPCQ-QHCPKHFHSA-N 1 2 558.595 4.055 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374973 551655910 /nfs/dbraw/zinc/65/59/10/551655910.db2.gz RYXCNHDGDUFPCQ-QHCPKHFHSA-N 1 2 558.595 4.055 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374974 551655957 /nfs/dbraw/zinc/65/59/57/551655957.db2.gz RYXCNHDGDUFPCQ-HSZRJFAPSA-N 1 2 558.595 4.055 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374974 551655956 /nfs/dbraw/zinc/65/59/56/551655956.db2.gz RYXCNHDGDUFPCQ-HSZRJFAPSA-N 1 2 558.595 4.055 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374977 551655984 /nfs/dbraw/zinc/65/59/84/551655984.db2.gz KKILJTBPYHZJHW-QFIPXVFZSA-N 1 2 520.615 4.388 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374977 551655982 /nfs/dbraw/zinc/65/59/82/551655982.db2.gz KKILJTBPYHZJHW-QFIPXVFZSA-N 1 2 520.615 4.388 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374978 551655942 /nfs/dbraw/zinc/65/59/42/551655942.db2.gz KKILJTBPYHZJHW-JOCHJYFZSA-N 1 2 520.615 4.388 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001374978 551655941 /nfs/dbraw/zinc/65/59/41/551655941.db2.gz KKILJTBPYHZJHW-JOCHJYFZSA-N 1 2 520.615 4.388 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375186 551656596 /nfs/dbraw/zinc/65/65/96/551656596.db2.gz AILPSQDQXZAFQN-VWLOTQADSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375186 551656594 /nfs/dbraw/zinc/65/65/94/551656594.db2.gz AILPSQDQXZAFQN-VWLOTQADSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375400 551657012 /nfs/dbraw/zinc/65/70/12/551657012.db2.gz JRVRXUDWIGIHKZ-VWLOTQADSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375400 551657010 /nfs/dbraw/zinc/65/70/10/551657010.db2.gz JRVRXUDWIGIHKZ-VWLOTQADSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375537 551657252 /nfs/dbraw/zinc/65/72/52/551657252.db2.gz ZVQOFZIXZNYFDV-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375537 551657250 /nfs/dbraw/zinc/65/72/50/551657250.db2.gz ZVQOFZIXZNYFDV-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375587 551657262 /nfs/dbraw/zinc/65/72/62/551657262.db2.gz AMKFABBGCUZZSK-UPVQGACJSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375587 551657259 /nfs/dbraw/zinc/65/72/59/551657259.db2.gz AMKFABBGCUZZSK-UPVQGACJSA-N 1 2 530.629 4.193 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375655 551657448 /nfs/dbraw/zinc/65/74/48/551657448.db2.gz OVINUGFPAKXXLS-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375655 551657445 /nfs/dbraw/zinc/65/74/45/551657445.db2.gz OVINUGFPAKXXLS-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000001381745 551658685 /nfs/dbraw/zinc/65/86/85/551658685.db2.gz CCEXXNTVLZJNTL-HKBQPEDESA-N 1 2 577.689 4.010 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000001381746 551658690 /nfs/dbraw/zinc/65/86/90/551658690.db2.gz CCEXXNTVLZJNTL-WJOKGBTCSA-N 1 2 577.689 4.010 40 0 KIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000001382313 551659981 /nfs/dbraw/zinc/65/99/81/551659981.db2.gz SCCQDOZIUIHQPN-HKBQPEDESA-N 1 2 577.689 4.010 40 0 KIABLO Cc1cc(C)c2cc([C@H](c3nnnn3CCc3ccccc3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000001382315 551659973 /nfs/dbraw/zinc/65/99/73/551659973.db2.gz SCCQDOZIUIHQPN-WJOKGBTCSA-N 1 2 577.689 4.010 40 0 KIABLO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CC[N@@H+](C)C3)c2)cc1OC ZINC000001553794 551683968 /nfs/dbraw/zinc/68/39/68/551683968.db2.gz BPOWQJYAMDEAFF-CYBMUJFWSA-N 1 2 539.370 4.369 40 0 in-vivo KIABLO COc1cc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(O[C@@H]3CC[N@H+](C)C3)c2)cc1OC ZINC000001553794 551683965 /nfs/dbraw/zinc/68/39/65/551683965.db2.gz BPOWQJYAMDEAFF-CYBMUJFWSA-N 1 2 539.370 4.369 40 0 in-vivo KIABLO O=C(NCC[NH+]1CCN(C(=O)Nc2ccc(Br)cc2)CC1)Nc1ccc(Br)cc1 ZINC000004723116 552472990 /nfs/dbraw/zinc/47/29/90/552472990.db2.gz VWODXEHNEILFCI-UHFFFAOYSA-N 1 2 525.245 4.183 40 0 KIABLO COc1ccc2c(c1OC)[C@](O)(Cc1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000004886756 552488588 /nfs/dbraw/zinc/48/85/88/552488588.db2.gz PMCBVOBXPIXMKQ-AHPZMPFVSA-N 1 2 505.567 4.129 40 0 KIABLO COc1ccc2c(c1OC)[C@](O)(Cc1ccccc1)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000004886756 552488584 /nfs/dbraw/zinc/48/85/84/552488584.db2.gz PMCBVOBXPIXMKQ-AHPZMPFVSA-N 1 2 505.567 4.129 40 0 KIABLO COc1ccc2c(c1OC)[C@](O)(Cc1ccccc1)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@@H+]1C ZINC000004886757 552488644 /nfs/dbraw/zinc/48/86/44/552488644.db2.gz PMCBVOBXPIXMKQ-QEMZJVQQSA-N 1 2 505.567 4.129 40 0 KIABLO COc1ccc2c(c1OC)[C@](O)(Cc1ccccc1)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N@H+]1C ZINC000004886757 552488642 /nfs/dbraw/zinc/48/86/42/552488642.db2.gz PMCBVOBXPIXMKQ-QEMZJVQQSA-N 1 2 505.567 4.129 40 0 KIABLO C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2ccc(Oc3ccccc3)cc2)nn1)Cc1ccccc1 ZINC000005399769 552501047 /nfs/dbraw/zinc/50/10/47/552501047.db2.gz WMNPGSZUCHREKI-QUAHOIDUSA-N 1 2 540.624 4.231 40 0 biogenic,in-vitro KIABLO C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)Nc2ccc(Oc3ccccc3)cc2)nn1)Cc1ccccc1 ZINC000005399769 552501045 /nfs/dbraw/zinc/50/10/45/552501045.db2.gz WMNPGSZUCHREKI-QUAHOIDUSA-N 1 2 540.624 4.231 40 0 biogenic,in-vitro KIABLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460372 552502574 /nfs/dbraw/zinc/50/25/74/552502574.db2.gz KXMFWNGNCOAOAG-VSGBNLITSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460372 552502572 /nfs/dbraw/zinc/50/25/72/552502572.db2.gz KXMFWNGNCOAOAG-VSGBNLITSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460381 552502598 /nfs/dbraw/zinc/50/25/98/552502598.db2.gz KXMFWNGNCOAOAG-WUFINQPMSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460381 552502596 /nfs/dbraw/zinc/50/25/96/552502596.db2.gz KXMFWNGNCOAOAG-WUFINQPMSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460384 552502604 /nfs/dbraw/zinc/50/26/04/552502604.db2.gz KXMFWNGNCOAOAG-IZLXSDGUSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460384 552502602 /nfs/dbraw/zinc/50/26/02/552502602.db2.gz KXMFWNGNCOAOAG-IZLXSDGUSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460391 552502645 /nfs/dbraw/zinc/50/26/45/552502645.db2.gz KXMFWNGNCOAOAG-NSOVKSMOSA-N 1 2 584.629 4.197 40 0 KIABLO COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005460391 552502644 /nfs/dbraw/zinc/50/26/44/552502644.db2.gz KXMFWNGNCOAOAG-NSOVKSMOSA-N 1 2 584.629 4.197 40 0 KIABLO COc1cc2cc([C@H](c3nnnn3C(C)(C)C)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006014896 552518889 /nfs/dbraw/zinc/51/88/89/552518889.db2.gz LHAPPFDBAWMUKJ-AREMUKBSSA-N 1 2 516.646 4.331 40 0 KIABLO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006014959 552519298 /nfs/dbraw/zinc/51/92/98/552519298.db2.gz ZWVDXAAHLKFRGY-RUZDIDTESA-N 1 2 500.603 4.042 40 0 KIABLO COc1cc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1OC ZINC000006014993 552519350 /nfs/dbraw/zinc/51/93/50/552519350.db2.gz LHAPPFDBAWMUKJ-SANMLTNESA-N 1 2 516.646 4.331 40 0 KIABLO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006015056 552519589 /nfs/dbraw/zinc/51/95/89/552519589.db2.gz ZWVDXAAHLKFRGY-VWLOTQADSA-N 1 2 500.603 4.042 40 0 KIABLO CCCCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000006078044 552529461 /nfs/dbraw/zinc/52/94/61/552529461.db2.gz ZVEBNQXYCMZPOQ-UHFFFAOYSA-N 1 2 536.698 4.173 40 0 KIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149234 552549968 /nfs/dbraw/zinc/54/99/68/552549968.db2.gz OZSLBHDPQYYOBU-AREMUKBSSA-N 1 2 514.630 4.433 40 0 KIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006149520 552550517 /nfs/dbraw/zinc/55/05/17/552550517.db2.gz OZSLBHDPQYYOBU-SANMLTNESA-N 1 2 514.630 4.433 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006193600 552565375 /nfs/dbraw/zinc/56/53/75/552565375.db2.gz VVYRLHSSXSBQFW-NDEPHWFRSA-N 1 2 540.624 4.200 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006193600 552565373 /nfs/dbraw/zinc/56/53/73/552565373.db2.gz VVYRLHSSXSBQFW-NDEPHWFRSA-N 1 2 540.624 4.200 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006193718 552565784 /nfs/dbraw/zinc/56/57/84/552565784.db2.gz VVYRLHSSXSBQFW-MUUNZHRXSA-N 1 2 540.624 4.200 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000006193718 552565782 /nfs/dbraw/zinc/56/57/82/552565782.db2.gz VVYRLHSSXSBQFW-MUUNZHRXSA-N 1 2 540.624 4.200 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196826 552568859 /nfs/dbraw/zinc/56/88/59/552568859.db2.gz NGXNVIWITHEJSP-LSYYVWMOSA-N 1 2 528.657 4.136 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196828 552568876 /nfs/dbraw/zinc/56/88/76/552568876.db2.gz FQFYVSWHGNGQMX-DHLKQENFSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196828 552568874 /nfs/dbraw/zinc/56/88/74/552568874.db2.gz FQFYVSWHGNGQMX-DHLKQENFSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196843 552568795 /nfs/dbraw/zinc/56/87/95/552568795.db2.gz NGXNVIWITHEJSP-NAKRPHOHSA-N 1 2 528.657 4.136 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196845 193870065 /nfs/dbraw/zinc/87/00/65/193870065.db2.gz FQFYVSWHGNGQMX-RDGATRHJSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196845 193870064 /nfs/dbraw/zinc/87/00/64/193870064.db2.gz FQFYVSWHGNGQMX-RDGATRHJSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196971 552569146 /nfs/dbraw/zinc/56/91/46/552569146.db2.gz NGXNVIWITHEJSP-LBNVMWSVSA-N 1 2 528.657 4.136 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196973 552569136 /nfs/dbraw/zinc/56/91/36/552569136.db2.gz FQFYVSWHGNGQMX-WIOPSUGQSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196973 552569133 /nfs/dbraw/zinc/56/91/33/552569133.db2.gz FQFYVSWHGNGQMX-WIOPSUGQSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006196991 552569400 /nfs/dbraw/zinc/56/94/00/552569400.db2.gz NGXNVIWITHEJSP-LEAFIULHSA-N 1 2 528.657 4.136 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196993 552569408 /nfs/dbraw/zinc/56/94/08/552569408.db2.gz FQFYVSWHGNGQMX-RCZVLFRGSA-N 1 2 506.651 4.228 40 0 KIABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006196993 552569405 /nfs/dbraw/zinc/56/94/05/552569405.db2.gz FQFYVSWHGNGQMX-RCZVLFRGSA-N 1 2 506.651 4.228 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198023 552569788 /nfs/dbraw/zinc/56/97/88/552569788.db2.gz NHNADJIVODBKRP-LSYYVWMOSA-N 1 2 512.658 4.300 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198050 193871171 /nfs/dbraw/zinc/87/11/71/193871171.db2.gz NHNADJIVODBKRP-NAKRPHOHSA-N 1 2 512.658 4.300 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198283 552570225 /nfs/dbraw/zinc/57/02/25/552570225.db2.gz NHNADJIVODBKRP-LBNVMWSVSA-N 1 2 512.658 4.300 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198308 552570185 /nfs/dbraw/zinc/57/01/85/552570185.db2.gz NHNADJIVODBKRP-LEAFIULHSA-N 1 2 512.658 4.300 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300762 552580149 /nfs/dbraw/zinc/58/01/49/552580149.db2.gz SYRNPEPKKQUZTB-LSYYVWMOSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300794 552580157 /nfs/dbraw/zinc/58/01/57/552580157.db2.gz SYRNPEPKKQUZTB-NAKRPHOHSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006301088 552580382 /nfs/dbraw/zinc/58/03/82/552580382.db2.gz SYRNPEPKKQUZTB-LBNVMWSVSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006301117 552580406 /nfs/dbraw/zinc/58/04/06/552580406.db2.gz SYRNPEPKKQUZTB-LEAFIULHSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321082 552581086 /nfs/dbraw/zinc/58/10/86/552581086.db2.gz FFNXGLDOUBOLTQ-LSYYVWMOSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321114 552581064 /nfs/dbraw/zinc/58/10/64/552581064.db2.gz FFNXGLDOUBOLTQ-NAKRPHOHSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321322 552581312 /nfs/dbraw/zinc/58/13/12/552581312.db2.gz FFNXGLDOUBOLTQ-LBNVMWSVSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321348 552581341 /nfs/dbraw/zinc/58/13/41/552581341.db2.gz FFNXGLDOUBOLTQ-LEAFIULHSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322148 552581520 /nfs/dbraw/zinc/58/15/20/552581520.db2.gz ZTMHTHOBXIGEBE-CUBQBAPOSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322166 552581491 /nfs/dbraw/zinc/58/14/91/552581491.db2.gz ZTMHTHOBXIGEBE-YWEHKCAJSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405705 552582193 /nfs/dbraw/zinc/58/21/93/552582193.db2.gz ZTMHTHOBXIGEBE-RBJSKKJNSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405731 552582304 /nfs/dbraw/zinc/58/23/04/552582304.db2.gz ZTMHTHOBXIGEBE-UFHPHHKVSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442299 552584781 /nfs/dbraw/zinc/58/47/81/552584781.db2.gz UHGDMOXPQYHFHS-LSYYVWMOSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442325 552584799 /nfs/dbraw/zinc/58/47/99/552584799.db2.gz UHGDMOXPQYHFHS-NAKRPHOHSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442491 552584836 /nfs/dbraw/zinc/58/48/36/552584836.db2.gz UHGDMOXPQYHFHS-LBNVMWSVSA-N 1 2 512.658 4.355 40 0 KIABLO Cc1ccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000006442520 552584927 /nfs/dbraw/zinc/58/49/27/552584927.db2.gz UHGDMOXPQYHFHS-LEAFIULHSA-N 1 2 512.658 4.355 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446387 552589072 /nfs/dbraw/zinc/58/90/72/552589072.db2.gz ZHDKTVONGNWVQI-MHZLTWQESA-N 1 2 512.614 4.403 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446392 552589076 /nfs/dbraw/zinc/58/90/76/552589076.db2.gz RFUWYJKOWXKBRA-LJAQVGFWSA-N 1 2 534.620 4.336 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446394 552589074 /nfs/dbraw/zinc/58/90/74/552589074.db2.gz ZHDKTVONGNWVQI-HHHXNRCGSA-N 1 2 512.614 4.403 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1)OCO3 ZINC000006446400 552589065 /nfs/dbraw/zinc/58/90/65/552589065.db2.gz RFUWYJKOWXKBRA-GDLZYMKVSA-N 1 2 534.620 4.336 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006446629 552589583 /nfs/dbraw/zinc/58/95/83/552589583.db2.gz KEANHJRVNUUQIH-MUUNZHRXSA-N 1 2 536.567 4.309 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006446629 552589580 /nfs/dbraw/zinc/58/95/80/552589580.db2.gz KEANHJRVNUUQIH-MUUNZHRXSA-N 1 2 536.567 4.309 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006446653 552589599 /nfs/dbraw/zinc/58/95/99/552589599.db2.gz KEANHJRVNUUQIH-NDEPHWFRSA-N 1 2 536.567 4.309 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000006446653 552589596 /nfs/dbraw/zinc/58/95/96/552589596.db2.gz KEANHJRVNUUQIH-NDEPHWFRSA-N 1 2 536.567 4.309 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000008682521 553112608 /nfs/dbraw/zinc/11/26/08/553112608.db2.gz UELADTJVDCZMTL-MHLNXUHPSA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1cc(OC)ccc1OC ZINC000008682521 553112607 /nfs/dbraw/zinc/11/26/07/553112607.db2.gz UELADTJVDCZMTL-MHLNXUHPSA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008684645 553113371 /nfs/dbraw/zinc/11/33/71/553113371.db2.gz LPCJPGGIKRJCRE-MHLNXUHPSA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1OC ZINC000008684645 553113368 /nfs/dbraw/zinc/11/33/68/553113368.db2.gz LPCJPGGIKRJCRE-MHLNXUHPSA-N 1 2 516.660 4.476 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000009087601 553208676 /nfs/dbraw/zinc/20/86/76/553208676.db2.gz MXQBCQBEMDZGGP-OYSWMMLKSA-N 1 2 502.368 4.034 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000009087601 553208673 /nfs/dbraw/zinc/20/86/73/553208673.db2.gz MXQBCQBEMDZGGP-OYSWMMLKSA-N 1 2 502.368 4.034 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000009087603 553208666 /nfs/dbraw/zinc/20/86/66/553208666.db2.gz MXQBCQBEMDZGGP-FYBXHKAZSA-N 1 2 502.368 4.034 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000009087603 553208663 /nfs/dbraw/zinc/20/86/63/553208663.db2.gz MXQBCQBEMDZGGP-FYBXHKAZSA-N 1 2 502.368 4.034 40 0 KIABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000009216457 553221703 /nfs/dbraw/zinc/22/17/03/553221703.db2.gz YJKIYAQWHRSXGB-ATVOGRQSSA-N 1 2 526.655 4.449 40 0 KIABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000009216457 553221700 /nfs/dbraw/zinc/22/17/00/553221700.db2.gz YJKIYAQWHRSXGB-ATVOGRQSSA-N 1 2 526.655 4.449 40 0 KIABLO CC[N@@H+](CCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2CCCOC(C)C)c1cccc(C)c1 ZINC000009968963 553322203 /nfs/dbraw/zinc/32/22/03/553322203.db2.gz NHLQLMBZLKPSBL-UHFFFAOYSA-N 1 2 532.689 4.133 40 0 KIABLO CC[N@H+](CCCNC(=O)CCc1nnc2n1c1ccccc1c(=O)n2CCCOC(C)C)c1cccc(C)c1 ZINC000009968963 553322202 /nfs/dbraw/zinc/32/22/02/553322202.db2.gz NHLQLMBZLKPSBL-UHFFFAOYSA-N 1 2 532.689 4.133 40 0 KIABLO COC(=O)c1c2c(sc1NC(=O)CSc1[nH+]cnc3c1cnn3-c1ccc(OC)cc1)CCCC2 ZINC000012643567 553408687 /nfs/dbraw/zinc/40/86/87/553408687.db2.gz NMFCZRZAMAPTPF-UHFFFAOYSA-N 1 2 509.613 4.282 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494287 553460058 /nfs/dbraw/zinc/46/00/58/553460058.db2.gz XNWJHCRHCVZIAS-UHFFFAOYSA-N 1 2 508.626 4.401 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000013494287 553460056 /nfs/dbraw/zinc/46/00/56/553460056.db2.gz XNWJHCRHCVZIAS-UHFFFAOYSA-N 1 2 508.626 4.401 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494735 553460399 /nfs/dbraw/zinc/46/03/99/553460399.db2.gz WQRFSOFLNVXFLH-AHWVRZQESA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494735 553460398 /nfs/dbraw/zinc/46/03/98/553460398.db2.gz WQRFSOFLNVXFLH-AHWVRZQESA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494736 553460248 /nfs/dbraw/zinc/46/02/48/553460248.db2.gz WQRFSOFLNVXFLH-AZGAKELHSA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013494736 553460245 /nfs/dbraw/zinc/46/02/45/553460245.db2.gz WQRFSOFLNVXFLH-AZGAKELHSA-N 1 2 502.619 4.246 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494836 553460504 /nfs/dbraw/zinc/46/05/04/553460504.db2.gz UUMMDAOFOIOYML-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494836 553460501 /nfs/dbraw/zinc/46/05/01/553460501.db2.gz UUMMDAOFOIOYML-DEOSSOPVSA-N 1 2 502.619 4.156 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494892 553460803 /nfs/dbraw/zinc/46/08/03/553460803.db2.gz VVBMYBCZRXWRPJ-XMMPIXPASA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494892 553460801 /nfs/dbraw/zinc/46/08/01/553460801.db2.gz VVBMYBCZRXWRPJ-XMMPIXPASA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494894 553460774 /nfs/dbraw/zinc/46/07/74/553460774.db2.gz VVBMYBCZRXWRPJ-DEOSSOPVSA-N 1 2 512.570 4.347 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013494894 553460773 /nfs/dbraw/zinc/46/07/73/553460773.db2.gz VVBMYBCZRXWRPJ-DEOSSOPVSA-N 1 2 512.570 4.347 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495069 553461321 /nfs/dbraw/zinc/46/13/21/553461321.db2.gz YNDKFEZEYPUQMV-AHWVRZQESA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495069 553461320 /nfs/dbraw/zinc/46/13/20/553461320.db2.gz YNDKFEZEYPUQMV-AHWVRZQESA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495071 553461295 /nfs/dbraw/zinc/46/12/95/553461295.db2.gz YNDKFEZEYPUQMV-AZGAKELHSA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495071 553461294 /nfs/dbraw/zinc/46/12/94/553461294.db2.gz YNDKFEZEYPUQMV-AZGAKELHSA-N 1 2 520.609 4.385 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495092 553461349 /nfs/dbraw/zinc/46/13/49/553461349.db2.gz JJXIJQKOTTVTLW-HSZRJFAPSA-N 1 2 516.533 4.177 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495092 553461348 /nfs/dbraw/zinc/46/13/48/553461348.db2.gz JJXIJQKOTTVTLW-HSZRJFAPSA-N 1 2 516.533 4.177 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495094 553461387 /nfs/dbraw/zinc/46/13/87/553461387.db2.gz JJXIJQKOTTVTLW-QHCPKHFHSA-N 1 2 516.533 4.177 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495094 553461385 /nfs/dbraw/zinc/46/13/85/553461385.db2.gz JJXIJQKOTTVTLW-QHCPKHFHSA-N 1 2 516.533 4.177 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495151 553461599 /nfs/dbraw/zinc/46/15/99/553461599.db2.gz ZDAIMPVIYDCBHF-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495151 553461597 /nfs/dbraw/zinc/46/15/97/553461597.db2.gz ZDAIMPVIYDCBHF-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495153 553461665 /nfs/dbraw/zinc/46/16/65/553461665.db2.gz ZDAIMPVIYDCBHF-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495153 553461664 /nfs/dbraw/zinc/46/16/64/553461664.db2.gz ZDAIMPVIYDCBHF-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495175 553461651 /nfs/dbraw/zinc/46/16/51/553461651.db2.gz ZVBJURYBRZRWKB-IZZNHLLZSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495175 553461650 /nfs/dbraw/zinc/46/16/50/553461650.db2.gz ZVBJURYBRZRWKB-IZZNHLLZSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495178 553461658 /nfs/dbraw/zinc/46/16/58/553461658.db2.gz ZVBJURYBRZRWKB-UIOOFZCWSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495178 553461656 /nfs/dbraw/zinc/46/16/56/553461656.db2.gz ZVBJURYBRZRWKB-UIOOFZCWSA-N 1 2 516.646 4.473 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495199 553461867 /nfs/dbraw/zinc/46/18/67/553461867.db2.gz FMNMCFUMNACQPQ-BDYUSTAISA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495199 553461864 /nfs/dbraw/zinc/46/18/64/553461864.db2.gz FMNMCFUMNACQPQ-BDYUSTAISA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495201 553461912 /nfs/dbraw/zinc/46/19/12/553461912.db2.gz FMNMCFUMNACQPQ-AHKZPQOWSA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495201 553461909 /nfs/dbraw/zinc/46/19/09/553461909.db2.gz FMNMCFUMNACQPQ-AHKZPQOWSA-N 1 2 532.645 4.254 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495255 553461985 /nfs/dbraw/zinc/46/19/85/553461985.db2.gz PVIDMIZDYIOWEC-BJKOFHAPSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495255 553461984 /nfs/dbraw/zinc/46/19/84/553461984.db2.gz PVIDMIZDYIOWEC-BJKOFHAPSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495257 553462095 /nfs/dbraw/zinc/46/20/95/553462095.db2.gz PVIDMIZDYIOWEC-ZEQRLZLVSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495257 553462092 /nfs/dbraw/zinc/46/20/92/553462092.db2.gz PVIDMIZDYIOWEC-ZEQRLZLVSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495472 553462335 /nfs/dbraw/zinc/46/23/35/553462335.db2.gz ORCCYNSYTWTSNL-AZGAKELHSA-N 1 2 502.619 4.012 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495472 553462334 /nfs/dbraw/zinc/46/23/34/553462334.db2.gz ORCCYNSYTWTSNL-AZGAKELHSA-N 1 2 502.619 4.012 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495474 553462325 /nfs/dbraw/zinc/46/23/25/553462325.db2.gz ORCCYNSYTWTSNL-AHWVRZQESA-N 1 2 502.619 4.012 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495474 553462324 /nfs/dbraw/zinc/46/23/24/553462324.db2.gz ORCCYNSYTWTSNL-AHWVRZQESA-N 1 2 502.619 4.012 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495501 553462321 /nfs/dbraw/zinc/46/23/21/553462321.db2.gz BJAVAVWVRKHJQL-LOSJGSFVSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495501 553462320 /nfs/dbraw/zinc/46/23/20/553462320.db2.gz BJAVAVWVRKHJQL-LOSJGSFVSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495503 553462338 /nfs/dbraw/zinc/46/23/38/553462338.db2.gz BJAVAVWVRKHJQL-DQEYMECFSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495503 553462337 /nfs/dbraw/zinc/46/23/37/553462337.db2.gz BJAVAVWVRKHJQL-DQEYMECFSA-N 1 2 504.610 4.451 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013495525 553462330 /nfs/dbraw/zinc/46/23/30/553462330.db2.gz XBQCJVPLHUPHDP-AHWVRZQESA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013495525 553462329 /nfs/dbraw/zinc/46/23/29/553462329.db2.gz XBQCJVPLHUPHDP-AHWVRZQESA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013495526 553462603 /nfs/dbraw/zinc/46/26/03/553462603.db2.gz XBQCJVPLHUPHDP-RSXGOPAZSA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000013495526 553462601 /nfs/dbraw/zinc/46/26/01/553462601.db2.gz XBQCJVPLHUPHDP-RSXGOPAZSA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495539 553462534 /nfs/dbraw/zinc/46/25/34/553462534.db2.gz DXFTYWBZYWTBCU-BDYUSTAISA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495539 553462532 /nfs/dbraw/zinc/46/25/32/553462532.db2.gz DXFTYWBZYWTBCU-BDYUSTAISA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495541 553462563 /nfs/dbraw/zinc/46/25/63/553462563.db2.gz DXFTYWBZYWTBCU-VPUSJEBWSA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013495541 553462561 /nfs/dbraw/zinc/46/25/61/553462561.db2.gz DXFTYWBZYWTBCU-VPUSJEBWSA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495786 553462574 /nfs/dbraw/zinc/46/25/74/553462574.db2.gz RBAJZHKVGNCCFM-URXFXBBRSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495786 553462572 /nfs/dbraw/zinc/46/25/72/553462572.db2.gz RBAJZHKVGNCCFM-URXFXBBRSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495787 553462590 /nfs/dbraw/zinc/46/25/90/553462590.db2.gz RBAJZHKVGNCCFM-XUZZJYLKSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495787 553462589 /nfs/dbraw/zinc/46/25/89/553462589.db2.gz RBAJZHKVGNCCFM-XUZZJYLKSA-N 1 2 508.648 4.307 40 0 KIABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 ZINC000013498532 553464749 /nfs/dbraw/zinc/46/47/49/553464749.db2.gz BGRGKEALAHTUKD-BDYUSTAISA-N 1 2 516.646 4.410 40 0 KIABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 ZINC000013498532 553464746 /nfs/dbraw/zinc/46/47/46/553464746.db2.gz BGRGKEALAHTUKD-BDYUSTAISA-N 1 2 516.646 4.410 40 0 KIABLO COc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 ZINC000013498533 553464822 /nfs/dbraw/zinc/46/48/22/553464822.db2.gz BGRGKEALAHTUKD-AHKZPQOWSA-N 1 2 516.646 4.410 40 0 KIABLO COc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 ZINC000013498533 553464820 /nfs/dbraw/zinc/46/48/20/553464820.db2.gz BGRGKEALAHTUKD-AHKZPQOWSA-N 1 2 516.646 4.410 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498601 553464664 /nfs/dbraw/zinc/46/46/64/553464664.db2.gz JNXJAHAUFQULTJ-VWLOTQADSA-N 1 2 518.618 4.406 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498601 553464661 /nfs/dbraw/zinc/46/46/61/553464661.db2.gz JNXJAHAUFQULTJ-VWLOTQADSA-N 1 2 518.618 4.406 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498602 553464859 /nfs/dbraw/zinc/46/48/59/553464859.db2.gz JNXJAHAUFQULTJ-RUZDIDTESA-N 1 2 518.618 4.406 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498602 553464857 /nfs/dbraw/zinc/46/48/57/553464857.db2.gz JNXJAHAUFQULTJ-RUZDIDTESA-N 1 2 518.618 4.406 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013498647 553464741 /nfs/dbraw/zinc/46/47/41/553464741.db2.gz HFLXZXPWMCQMDF-AHWVRZQESA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013498647 553464740 /nfs/dbraw/zinc/46/47/40/553464740.db2.gz HFLXZXPWMCQMDF-AHWVRZQESA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013498648 553464711 /nfs/dbraw/zinc/46/47/11/553464711.db2.gz HFLXZXPWMCQMDF-AZGAKELHSA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc2c1 ZINC000013498648 553464709 /nfs/dbraw/zinc/46/47/09/553464709.db2.gz HFLXZXPWMCQMDF-AZGAKELHSA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3OC)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498740 553464814 /nfs/dbraw/zinc/46/48/14/553464814.db2.gz PAIBGZNXDUCOAB-IGKIAQTJSA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@H+](Cc3ccccc3OC)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498740 553464811 /nfs/dbraw/zinc/46/48/11/553464811.db2.gz PAIBGZNXDUCOAB-IGKIAQTJSA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3OC)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498741 553464767 /nfs/dbraw/zinc/46/47/67/553464767.db2.gz PAIBGZNXDUCOAB-RPLLCQBOSA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@H+](Cc3ccccc3OC)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498741 553464764 /nfs/dbraw/zinc/46/47/64/553464764.db2.gz PAIBGZNXDUCOAB-RPLLCQBOSA-N 1 2 532.645 4.110 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498915 553464943 /nfs/dbraw/zinc/46/49/43/553464943.db2.gz BLDZKXCIDLIBMV-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498915 553464940 /nfs/dbraw/zinc/46/49/40/553464940.db2.gz BLDZKXCIDLIBMV-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1OC)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498988 553465031 /nfs/dbraw/zinc/46/50/31/553465031.db2.gz FBWSZDVBGBDWCM-AREMUKBSSA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1OC)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498988 553465028 /nfs/dbraw/zinc/46/50/28/553465028.db2.gz FBWSZDVBGBDWCM-AREMUKBSSA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1OC)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498989 553465045 /nfs/dbraw/zinc/46/50/45/553465045.db2.gz FBWSZDVBGBDWCM-SANMLTNESA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1OC)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498989 553465043 /nfs/dbraw/zinc/46/50/43/553465043.db2.gz FBWSZDVBGBDWCM-SANMLTNESA-N 1 2 504.635 4.186 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1OC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499065 553465349 /nfs/dbraw/zinc/46/53/49/553465349.db2.gz FFKCMQSTGBRYCQ-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1OC)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499065 553465348 /nfs/dbraw/zinc/46/53/48/553465348.db2.gz FFKCMQSTGBRYCQ-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499104 553465358 /nfs/dbraw/zinc/46/53/58/553465358.db2.gz YLICOYFWMCGQSE-AREMUKBSSA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499104 553465357 /nfs/dbraw/zinc/46/53/57/553465357.db2.gz YLICOYFWMCGQSE-AREMUKBSSA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499105 553465333 /nfs/dbraw/zinc/46/53/33/553465333.db2.gz YLICOYFWMCGQSE-SANMLTNESA-N 1 2 504.635 4.186 40 0 KIABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499105 553465332 /nfs/dbraw/zinc/46/53/32/553465332.db2.gz YLICOYFWMCGQSE-SANMLTNESA-N 1 2 504.635 4.186 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499185 553465336 /nfs/dbraw/zinc/46/53/36/553465336.db2.gz FHZCTKDRXASRJG-SANMLTNESA-N 1 2 502.619 4.094 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499185 553465335 /nfs/dbraw/zinc/46/53/35/553465335.db2.gz FHZCTKDRXASRJG-SANMLTNESA-N 1 2 502.619 4.094 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499192 553465318 /nfs/dbraw/zinc/46/53/18/553465318.db2.gz JVHFFLXCALBNSO-HHHXNRCGSA-N 1 2 532.645 4.103 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499192 553465317 /nfs/dbraw/zinc/46/53/17/553465317.db2.gz JVHFFLXCALBNSO-HHHXNRCGSA-N 1 2 532.645 4.103 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499193 553465300 /nfs/dbraw/zinc/46/53/00/553465300.db2.gz JVHFFLXCALBNSO-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1OC)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499193 553465298 /nfs/dbraw/zinc/46/52/98/553465298.db2.gz JVHFFLXCALBNSO-MHZLTWQESA-N 1 2 532.645 4.103 40 0 KIABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499319 553465327 /nfs/dbraw/zinc/46/53/27/553465327.db2.gz HJIVETRZCKRNQX-XMMPIXPASA-N 1 2 506.582 4.069 40 0 KIABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499319 553465326 /nfs/dbraw/zinc/46/53/26/553465326.db2.gz HJIVETRZCKRNQX-XMMPIXPASA-N 1 2 506.582 4.069 40 0 KIABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499320 553465280 /nfs/dbraw/zinc/46/52/80/553465280.db2.gz HJIVETRZCKRNQX-DEOSSOPVSA-N 1 2 506.582 4.069 40 0 KIABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499320 553465278 /nfs/dbraw/zinc/46/52/78/553465278.db2.gz HJIVETRZCKRNQX-DEOSSOPVSA-N 1 2 506.582 4.069 40 0 KIABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499351 553465314 /nfs/dbraw/zinc/46/53/14/553465314.db2.gz PWVBFMDASCZENJ-AZGAKELHSA-N 1 2 502.619 4.094 40 0 KIABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499351 553465312 /nfs/dbraw/zinc/46/53/12/553465312.db2.gz PWVBFMDASCZENJ-AZGAKELHSA-N 1 2 502.619 4.094 40 0 KIABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499352 553465247 /nfs/dbraw/zinc/46/52/47/553465247.db2.gz PWVBFMDASCZENJ-AHWVRZQESA-N 1 2 502.619 4.094 40 0 KIABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499352 553465245 /nfs/dbraw/zinc/46/52/45/553465245.db2.gz PWVBFMDASCZENJ-AHWVRZQESA-N 1 2 502.619 4.094 40 0 KIABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499409 553465510 /nfs/dbraw/zinc/46/55/10/553465510.db2.gz SGGAEOQLSSCRFE-RUZDIDTESA-N 1 2 526.597 4.471 40 0 KIABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499409 553465507 /nfs/dbraw/zinc/46/55/07/553465507.db2.gz SGGAEOQLSSCRFE-RUZDIDTESA-N 1 2 526.597 4.471 40 0 KIABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499410 553465532 /nfs/dbraw/zinc/46/55/32/553465532.db2.gz SGGAEOQLSSCRFE-VWLOTQADSA-N 1 2 526.597 4.471 40 0 KIABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499410 553465529 /nfs/dbraw/zinc/46/55/29/553465529.db2.gz SGGAEOQLSSCRFE-VWLOTQADSA-N 1 2 526.597 4.471 40 0 KIABLO Cc1cccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500386 553466032 /nfs/dbraw/zinc/46/60/32/553466032.db2.gz VCASLWMRSNYHAJ-AHKZPQOWSA-N 1 2 500.647 4.444 40 0 KIABLO Cc1cccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500386 553466030 /nfs/dbraw/zinc/46/60/30/553466030.db2.gz VCASLWMRSNYHAJ-AHKZPQOWSA-N 1 2 500.647 4.444 40 0 KIABLO Cc1cccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500387 553466006 /nfs/dbraw/zinc/46/60/06/553466006.db2.gz VCASLWMRSNYHAJ-BDYUSTAISA-N 1 2 500.647 4.444 40 0 KIABLO Cc1cccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500387 553466004 /nfs/dbraw/zinc/46/60/04/553466004.db2.gz VCASLWMRSNYHAJ-BDYUSTAISA-N 1 2 500.647 4.444 40 0 KIABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500842 553466169 /nfs/dbraw/zinc/46/61/69/553466169.db2.gz BZDWCNJKYDKNCF-BJKOFHAPSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500842 553466166 /nfs/dbraw/zinc/46/61/66/553466166.db2.gz BZDWCNJKYDKNCF-BJKOFHAPSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500843 553466236 /nfs/dbraw/zinc/46/62/36/553466236.db2.gz BZDWCNJKYDKNCF-ZEQRLZLVSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500843 553466234 /nfs/dbraw/zinc/46/62/34/553466234.db2.gz BZDWCNJKYDKNCF-ZEQRLZLVSA-N 1 2 530.629 4.274 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501184 553466467 /nfs/dbraw/zinc/46/64/67/553466467.db2.gz VQHJBUOMWQPHGO-AREMUKBSSA-N 1 2 507.683 4.004 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501184 553466465 /nfs/dbraw/zinc/46/64/65/553466465.db2.gz VQHJBUOMWQPHGO-AREMUKBSSA-N 1 2 507.683 4.004 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501185 553466512 /nfs/dbraw/zinc/46/65/12/553466512.db2.gz VQHJBUOMWQPHGO-SANMLTNESA-N 1 2 507.683 4.004 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501185 553466510 /nfs/dbraw/zinc/46/65/10/553466510.db2.gz VQHJBUOMWQPHGO-SANMLTNESA-N 1 2 507.683 4.004 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1ccco1)C1(c2nnnn2C2CCCC2)CCCC1)OCO3 ZINC000013501226 553466553 /nfs/dbraw/zinc/46/65/53/553466553.db2.gz TWRIVMZJSPVWCH-UHFFFAOYSA-N 1 2 502.575 4.423 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1ccco1)C1(c2nnnn2C2CCCC2)CCCC1)OCO3 ZINC000013501226 553466552 /nfs/dbraw/zinc/46/65/52/553466552.db2.gz TWRIVMZJSPVWCH-UHFFFAOYSA-N 1 2 502.575 4.423 40 0 KIABLO CCOC(=O)C1C(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013565846 553473499 /nfs/dbraw/zinc/47/34/99/553473499.db2.gz XCMGVMZZXNHNBO-JFLZEIQHSA-N 1 2 513.997 4.165 40 0 KIABLO CCOC(=O)C1C(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000013565846 553473497 /nfs/dbraw/zinc/47/34/97/553473497.db2.gz XCMGVMZZXNHNBO-JFLZEIQHSA-N 1 2 513.997 4.165 40 0 KIABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(=O)(=O)c1ccc(Br)cc1 ZINC000013584611 553476318 /nfs/dbraw/zinc/47/63/18/553476318.db2.gz MVMBTUQXBZVGAT-UHFFFAOYSA-N 1 2 522.490 4.267 40 0 KIABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000013635812 553478823 /nfs/dbraw/zinc/47/88/23/553478823.db2.gz VEJLNVSKTJQUJA-UHFFFAOYSA-N 1 2 505.420 4.129 40 0 KIABLO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000013683269 553484988 /nfs/dbraw/zinc/48/49/88/553484988.db2.gz QJSFUENSMULUEX-VMPITWQZSA-N 1 2 507.631 4.263 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)c(C)c1 ZINC000014155179 553505005 /nfs/dbraw/zinc/50/50/05/553505005.db2.gz FXHNXWFJDJCRCG-UHFFFAOYSA-N 1 2 521.639 4.099 40 0 KIABLO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(Cl)ccc1Cl ZINC000014399769 553515252 /nfs/dbraw/zinc/51/52/52/553515252.db2.gz LLNKUDZWDGZIQQ-WEVVVXLNSA-N 1 2 510.487 4.397 40 0 KIABLO COC(=O)c1c(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000016013003 553550991 /nfs/dbraw/zinc/55/09/91/553550991.db2.gz ZXNGDFHZTPSPQZ-ATVOGRQSSA-N 1 2 528.671 4.435 40 0 KIABLO COC(=O)c1c(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(O)c(OC)c2)sc2c1CCCC2 ZINC000016013003 553550989 /nfs/dbraw/zinc/55/09/89/553550989.db2.gz ZXNGDFHZTPSPQZ-ATVOGRQSSA-N 1 2 528.671 4.435 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000016293286 553559148 /nfs/dbraw/zinc/55/91/48/553559148.db2.gz XMVONEUOFRKVHQ-VMPITWQZSA-N 1 2 505.640 4.032 40 0 KIABLO O=C1S/C(=C2\c3cc(Br)ccc3N(CN3CCCCC3)C2=O)C(=O)N1C[NH+]1CCCCC1 ZINC000016941090 553584013 /nfs/dbraw/zinc/58/40/13/553584013.db2.gz DONGAJIVISDVIZ-FMQUCBEESA-N 1 2 519.465 4.089 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000018142169 553606028 /nfs/dbraw/zinc/60/60/28/553606028.db2.gz MXQBCQBEMDZGGP-ZUVQJFRASA-N 1 2 502.368 4.034 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000018142169 553606026 /nfs/dbraw/zinc/60/60/26/553606026.db2.gz MXQBCQBEMDZGGP-ZUVQJFRASA-N 1 2 502.368 4.034 40 0 KIABLO COc1ccc(C[NH+]2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OCc1ccccc1 ZINC000019723139 553615688 /nfs/dbraw/zinc/61/56/88/553615688.db2.gz OTCIJDCUSAQHMF-UHFFFAOYSA-N 1 2 506.599 4.258 40 0 KIABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000019823164 553620371 /nfs/dbraw/zinc/62/03/71/553620371.db2.gz JYBBOHYFQZMZAX-UHFFFAOYSA-N 1 2 527.643 4.214 40 0 KIABLO O=C(c1nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019893151 553631557 /nfs/dbraw/zinc/63/15/57/553631557.db2.gz WVHPLKVOJQJMTH-UHFFFAOYSA-N 1 2 500.912 4.422 40 0 KIABLO Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000019931434 553635162 /nfs/dbraw/zinc/63/51/62/553635162.db2.gz QFTAAXFYKWWHRA-UHFFFAOYSA-N 1 2 513.623 4.396 40 0 KIABLO Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCc5ccccc5C4)cc3)cc2)n1 ZINC000019931434 553635159 /nfs/dbraw/zinc/63/51/59/553635159.db2.gz QFTAAXFYKWWHRA-UHFFFAOYSA-N 1 2 513.623 4.396 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000019932572 553635487 /nfs/dbraw/zinc/63/54/87/553635487.db2.gz LNRYJWXRSHNHHK-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO COc1ccc([C@@H](CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936285 553637007 /nfs/dbraw/zinc/63/70/07/553637007.db2.gz CFNBXNMUYWXSJU-HZUPSRCKSA-N 1 2 533.694 4.305 40 0 KIABLO COc1ccc([C@H](CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936287 553636986 /nfs/dbraw/zinc/63/69/86/553636986.db2.gz CFNBXNMUYWXSJU-CQMIANAGSA-N 1 2 533.694 4.305 40 0 KIABLO CCN(c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000019937952 553637258 /nfs/dbraw/zinc/63/72/58/553637258.db2.gz RWGBXBPLKAHVRJ-FMIVXFBMSA-N 1 2 519.667 4.138 40 0 KIABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000019937998 553637221 /nfs/dbraw/zinc/63/72/21/553637221.db2.gz VADWHIWQUJCYJH-RMKNXTFCSA-N 1 2 519.667 4.057 40 0 KIABLO CCN(c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938062 553637575 /nfs/dbraw/zinc/63/75/75/553637575.db2.gz YFZZGLLSJJUHPR-JXMROGBWSA-N 1 2 533.694 4.447 40 0 KIABLO Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)NCCCn3cc[nH+]c3)cc2)cc1 ZINC000019938098 553637534 /nfs/dbraw/zinc/63/75/34/553637534.db2.gz PSXWFNNTGYLRNM-UHFFFAOYSA-N 1 2 518.639 4.172 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972889 553649990 /nfs/dbraw/zinc/64/99/90/553649990.db2.gz RAXMXZYKJKAXCR-SANMLTNESA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972889 553649987 /nfs/dbraw/zinc/64/99/87/553649987.db2.gz RAXMXZYKJKAXCR-SANMLTNESA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972890 553649979 /nfs/dbraw/zinc/64/99/79/553649979.db2.gz RAXMXZYKJKAXCR-AREMUKBSSA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000019972890 553649977 /nfs/dbraw/zinc/64/99/77/553649977.db2.gz RAXMXZYKJKAXCR-AREMUKBSSA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019972893 553650001 /nfs/dbraw/zinc/65/00/01/553650001.db2.gz RTHFFGOIWPNCGY-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019972893 553649999 /nfs/dbraw/zinc/64/99/99/553649999.db2.gz RTHFFGOIWPNCGY-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019972894 553649969 /nfs/dbraw/zinc/64/99/69/553649969.db2.gz RTHFFGOIWPNCGY-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019972894 553649965 /nfs/dbraw/zinc/64/99/65/553649965.db2.gz RTHFFGOIWPNCGY-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019973026 553650521 /nfs/dbraw/zinc/65/05/21/553650521.db2.gz HLAGGKRFSPOFCU-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019973026 553650519 /nfs/dbraw/zinc/65/05/19/553650519.db2.gz HLAGGKRFSPOFCU-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019973027 553650782 /nfs/dbraw/zinc/65/07/82/553650782.db2.gz HLAGGKRFSPOFCU-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000019973027 553650779 /nfs/dbraw/zinc/65/07/79/553650779.db2.gz HLAGGKRFSPOFCU-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020035087 553667334 /nfs/dbraw/zinc/66/73/34/553667334.db2.gz QGBIHTDOETZEQX-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)cc2)cc1 ZINC000020040473 553668890 /nfs/dbraw/zinc/66/88/90/553668890.db2.gz WLWPKCZIORHZGV-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020046661 553669961 /nfs/dbraw/zinc/66/99/61/553669961.db2.gz JRTKRWACMCHEII-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020046723 553670002 /nfs/dbraw/zinc/67/00/02/553670002.db2.gz HEUGNBUBHKWFBC-GOSISDBHSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020046727 553669954 /nfs/dbraw/zinc/66/99/54/553669954.db2.gz HEUGNBUBHKWFBC-SFHVURJKSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020047279 553670201 /nfs/dbraw/zinc/67/02/01/553670201.db2.gz MQFRHQPVXGCYHG-UHFFFAOYSA-N 1 2 514.529 4.403 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000020047500 553670284 /nfs/dbraw/zinc/67/02/84/553670284.db2.gz HUOYSEZAMBIRMT-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080615 553679070 /nfs/dbraw/zinc/67/90/70/553679070.db2.gz WUCWGLFPKZBLFD-HHHXNRCGSA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080615 553679067 /nfs/dbraw/zinc/67/90/67/553679067.db2.gz WUCWGLFPKZBLFD-HHHXNRCGSA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080619 553679186 /nfs/dbraw/zinc/67/91/86/553679186.db2.gz WUCWGLFPKZBLFD-MHZLTWQESA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080619 553679182 /nfs/dbraw/zinc/67/91/82/553679182.db2.gz WUCWGLFPKZBLFD-MHZLTWQESA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080628 553679105 /nfs/dbraw/zinc/67/91/05/553679105.db2.gz ZSZVZNNOHVKAAT-MHZLTWQESA-N 1 2 528.588 4.331 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080628 553679103 /nfs/dbraw/zinc/67/91/03/553679103.db2.gz ZSZVZNNOHVKAAT-MHZLTWQESA-N 1 2 528.588 4.331 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080631 553679136 /nfs/dbraw/zinc/67/91/36/553679136.db2.gz ZSZVZNNOHVKAAT-HHHXNRCGSA-N 1 2 528.588 4.331 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000020080631 553679135 /nfs/dbraw/zinc/67/91/35/553679135.db2.gz ZSZVZNNOHVKAAT-HHHXNRCGSA-N 1 2 528.588 4.331 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020080840 553679361 /nfs/dbraw/zinc/67/93/61/553679361.db2.gz JSYLOCVCWINMJT-SANMLTNESA-N 1 2 512.545 4.042 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020080840 553679357 /nfs/dbraw/zinc/67/93/57/553679357.db2.gz JSYLOCVCWINMJT-SANMLTNESA-N 1 2 512.545 4.042 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020080843 553679514 /nfs/dbraw/zinc/67/95/14/553679514.db2.gz JSYLOCVCWINMJT-AREMUKBSSA-N 1 2 512.545 4.042 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000020080843 553679512 /nfs/dbraw/zinc/67/95/12/553679512.db2.gz JSYLOCVCWINMJT-AREMUKBSSA-N 1 2 512.545 4.042 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000020081566 553680745 /nfs/dbraw/zinc/68/07/45/553680745.db2.gz QEDWZPZSUIODRH-UHFFFAOYSA-N 1 2 516.646 4.454 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3C3CCCC3)cc2c1 ZINC000020081566 553680743 /nfs/dbraw/zinc/68/07/43/553680743.db2.gz QEDWZPZSUIODRH-UHFFFAOYSA-N 1 2 516.646 4.454 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020082109 553680904 /nfs/dbraw/zinc/68/09/04/553680904.db2.gz ITPRDHBOJQPOIK-NDEPHWFRSA-N 1 2 508.626 4.304 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020082109 553680899 /nfs/dbraw/zinc/68/08/99/553680899.db2.gz ITPRDHBOJQPOIK-NDEPHWFRSA-N 1 2 508.626 4.304 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020082112 553680889 /nfs/dbraw/zinc/68/08/89/553680889.db2.gz ITPRDHBOJQPOIK-MUUNZHRXSA-N 1 2 508.626 4.304 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000020082112 553680886 /nfs/dbraw/zinc/68/08/86/553680886.db2.gz ITPRDHBOJQPOIK-MUUNZHRXSA-N 1 2 508.626 4.304 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4OC)CC3)cc2c1 ZINC000020082505 553681867 /nfs/dbraw/zinc/68/18/67/553681867.db2.gz BBOHNGYNDORZRX-MUUNZHRXSA-N 1 2 527.673 4.108 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccccc4OC)CC3)cc2c1 ZINC000020082508 553681918 /nfs/dbraw/zinc/68/19/18/553681918.db2.gz BBOHNGYNDORZRX-NDEPHWFRSA-N 1 2 527.673 4.108 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082937 553682958 /nfs/dbraw/zinc/68/29/58/553682958.db2.gz HXUZHGOBIXOVOY-SANMLTNESA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082937 553682955 /nfs/dbraw/zinc/68/29/55/553682955.db2.gz HXUZHGOBIXOVOY-SANMLTNESA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082940 553682941 /nfs/dbraw/zinc/68/29/41/553682941.db2.gz HXUZHGOBIXOVOY-AREMUKBSSA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000020082940 553682940 /nfs/dbraw/zinc/68/29/40/553682940.db2.gz HXUZHGOBIXOVOY-AREMUKBSSA-N 1 2 514.655 4.365 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000020082951 553682899 /nfs/dbraw/zinc/68/28/99/553682899.db2.gz HVGDGVWSRWRQHP-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000020082951 553682895 /nfs/dbraw/zinc/68/28/95/553682895.db2.gz HVGDGVWSRWRQHP-NDEPHWFRSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000020082954 553682966 /nfs/dbraw/zinc/68/29/66/553682966.db2.gz HVGDGVWSRWRQHP-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[N@H+](CCc1ccccc1)Cc1ccc(F)cc1 ZINC000020082954 553682964 /nfs/dbraw/zinc/68/29/64/553682964.db2.gz HVGDGVWSRWRQHP-MUUNZHRXSA-N 1 2 526.616 4.443 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020083229 553683668 /nfs/dbraw/zinc/68/36/68/553683668.db2.gz QJWGZICJWCXKMU-RUZDIDTESA-N 1 2 520.081 4.447 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000020083232 553683686 /nfs/dbraw/zinc/68/36/86/553683686.db2.gz QJWGZICJWCXKMU-VWLOTQADSA-N 1 2 520.081 4.447 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)cc12 ZINC000020083480 553684283 /nfs/dbraw/zinc/68/42/83/553684283.db2.gz XMMJGAVVTBYTNY-AREMUKBSSA-N 1 2 501.635 4.137 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)cc12 ZINC000020083483 553684261 /nfs/dbraw/zinc/68/42/61/553684261.db2.gz XMMJGAVVTBYTNY-SANMLTNESA-N 1 2 501.635 4.137 40 0 KIABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000020083587 553684466 /nfs/dbraw/zinc/68/44/66/553684466.db2.gz HLWKVLSKCPGCBL-MUUNZHRXSA-N 1 2 527.673 4.162 40 0 KIABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2cc3c(C)cc(C)cc3[nH]c2=O)CC1 ZINC000020083589 553684492 /nfs/dbraw/zinc/68/44/92/553684492.db2.gz HLWKVLSKCPGCBL-NDEPHWFRSA-N 1 2 527.673 4.162 40 0 KIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000020083753 553684842 /nfs/dbraw/zinc/68/48/42/553684842.db2.gz DMRGBRVQHBREJJ-AREMUKBSSA-N 1 2 501.635 4.137 40 0 KIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2cc1C ZINC000020083756 553684912 /nfs/dbraw/zinc/68/49/12/553684912.db2.gz DMRGBRVQHBREJJ-SANMLTNESA-N 1 2 501.635 4.137 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109432 553692974 /nfs/dbraw/zinc/69/29/74/553692974.db2.gz MIZARJBCFILPSQ-UHFFFAOYSA-N 1 2 512.589 4.346 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000020109432 553692972 /nfs/dbraw/zinc/69/29/72/553692972.db2.gz MIZARJBCFILPSQ-UHFFFAOYSA-N 1 2 512.589 4.346 40 0 KIABLO O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020244288 553628810 /nfs/dbraw/zinc/62/88/10/553628810.db2.gz ANNWNZUMABHMRN-PMERELPUSA-N 1 2 529.662 4.190 40 0 KIABLO O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020244290 553628859 /nfs/dbraw/zinc/62/88/59/553628859.db2.gz ANNWNZUMABHMRN-SSEXGKCCSA-N 1 2 529.662 4.190 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020452433 553651652 /nfs/dbraw/zinc/65/16/52/553651652.db2.gz BAFUMJLKNAYRHZ-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccc(Cl)c2)cc1 ZINC000020455783 553652903 /nfs/dbraw/zinc/65/29/03/553652903.db2.gz XLQKCYRVRVBGRN-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020458248 553654068 /nfs/dbraw/zinc/65/40/68/553654068.db2.gz ZLXFYTGFDXDOOO-UHFFFAOYSA-N 1 2 518.683 4.423 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020460968 553655558 /nfs/dbraw/zinc/65/55/58/553655558.db2.gz ICCOIJRQXFEOQX-GOSISDBHSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000020460969 553655555 /nfs/dbraw/zinc/65/55/55/553655555.db2.gz ICCOIJRQXFEOQX-SFHVURJKSA-N 1 2 507.443 4.037 40 0 KIABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020486902 553659175 /nfs/dbraw/zinc/65/91/75/553659175.db2.gz SNERDXABKLOYJZ-UHFFFAOYSA-N 1 2 525.030 4.436 40 0 KIABLO COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020489876 553659977 /nfs/dbraw/zinc/65/99/77/553659977.db2.gz JGFLTSPWGJGNOT-UHFFFAOYSA-N 1 2 504.612 4.009 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000020493130 553666040 /nfs/dbraw/zinc/66/60/40/553666040.db2.gz ADQZZKHXSCPPET-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cccc(Cl)c2)cc1 ZINC000020495080 553667369 /nfs/dbraw/zinc/66/73/69/553667369.db2.gz MWJJPNCVPVNGIM-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000020495622 553667561 /nfs/dbraw/zinc/66/75/61/553667561.db2.gz OWXULDSYUDSRSV-UHFFFAOYSA-N 1 2 525.030 4.436 40 0 KIABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(Br)cc1 ZINC000020672899 553686717 /nfs/dbraw/zinc/68/67/17/553686717.db2.gz IBQZWNWNGKOEOM-UHFFFAOYSA-N 1 2 519.447 4.383 40 0 KIABLO O=C(c1ccc(Cl)cc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000020766558 553697526 /nfs/dbraw/zinc/69/75/26/553697526.db2.gz NEHBUGJCZBVNHO-UHFFFAOYSA-N 1 2 510.059 4.440 40 0 KIABLO O=C(c1cccc(Cl)c1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000020767297 553697545 /nfs/dbraw/zinc/69/75/45/553697545.db2.gz CRNATJBWHGHPIM-UHFFFAOYSA-N 1 2 510.059 4.440 40 0 KIABLO COc1cc([C@@H]2CC(=O)c3c(C)nc(N4CC[NH+](Cc5ccccc5)CC4)nc3C2)cc(OC)c1OC ZINC000021122875 553707262 /nfs/dbraw/zinc/70/72/62/553707262.db2.gz ICKMPPXIUOBLQL-NRFANRHFSA-N 1 2 502.615 4.046 40 0 KIABLO COc1cc([C@H]2CC(=O)c3c(C)nc(N4CC[NH+](Cc5ccccc5)CC4)nc3C2)cc(OC)c1OC ZINC000021122879 553707304 /nfs/dbraw/zinc/70/73/04/553707304.db2.gz ICKMPPXIUOBLQL-OAQYLSRUSA-N 1 2 502.615 4.046 40 0 KIABLO Cc1ccc(CN(c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022231915 553728478 /nfs/dbraw/zinc/72/84/78/553728478.db2.gz CATQHXFCKXRAHU-RMKNXTFCSA-N 1 2 533.694 4.198 40 0 KIABLO Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000022246585 553729722 /nfs/dbraw/zinc/72/97/22/553729722.db2.gz ZBDIQIGVXLHQJO-MEQIQYKBSA-N 1 2 531.722 4.359 40 0 KIABLO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1 ZINC000022246588 553729776 /nfs/dbraw/zinc/72/97/76/553729776.db2.gz ZBDIQIGVXLHQJO-BVEXFFHSSA-N 1 2 531.722 4.359 40 0 KIABLO O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022428939 553739516 /nfs/dbraw/zinc/73/95/16/553739516.db2.gz LTBIESRLJWOKEO-UHFFFAOYSA-N 1 2 514.529 4.403 40 0 KIABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000022429173 553739390 /nfs/dbraw/zinc/73/93/90/553739390.db2.gz BUAIQCHMJLXKAC-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000022429179 553739498 /nfs/dbraw/zinc/73/94/98/553739498.db2.gz OUZSPSXETGCBFG-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429575 553739701 /nfs/dbraw/zinc/73/97/01/553739701.db2.gz MEIQIKKEGBCQAF-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022429578 553739883 /nfs/dbraw/zinc/73/98/83/553739883.db2.gz LCDULBLOPRFJOI-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431176 553741049 /nfs/dbraw/zinc/74/10/49/553741049.db2.gz DLJVVTVPDXNACO-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431179 553741065 /nfs/dbraw/zinc/74/10/65/553741065.db2.gz VASDEPXRNNIFMD-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431234 553741148 /nfs/dbraw/zinc/74/11/48/553741148.db2.gz BCMYVAPJTLOYKA-UHFFFAOYSA-N 1 2 504.612 4.091 40 0 KIABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431674 553741700 /nfs/dbraw/zinc/74/17/00/553741700.db2.gz BKWQYSBXPQVCAV-UHFFFAOYSA-N 1 2 525.030 4.354 40 0 KIABLO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431677 553741737 /nfs/dbraw/zinc/74/17/37/553741737.db2.gz PHSULDIXMSSVMV-UHFFFAOYSA-N 1 2 525.030 4.354 40 0 KIABLO COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022431719 553741706 /nfs/dbraw/zinc/74/17/06/553741706.db2.gz JOKIMQIUTACTJA-UHFFFAOYSA-N 1 2 504.612 4.009 40 0 KIABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022431974 553742429 /nfs/dbraw/zinc/74/24/29/553742429.db2.gz OWPKMCYPMRUZND-UHFFFAOYSA-N 1 2 525.030 4.354 40 0 KIABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000022431977 553742266 /nfs/dbraw/zinc/74/22/66/553742266.db2.gz LMQIMDPPAOVUHL-UHFFFAOYSA-N 1 2 525.030 4.354 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(Cl)cc2)cc1 ZINC000022519676 553743866 /nfs/dbraw/zinc/74/38/66/553743866.db2.gz IEUKNLAXGZSSMK-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000022533953 553745846 /nfs/dbraw/zinc/74/58/46/553745846.db2.gz AHVZKLVNAVRIMZ-UHFFFAOYSA-N 1 2 518.683 4.423 40 0 KIABLO O=C1C[C@@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000022824512 553752229 /nfs/dbraw/zinc/75/22/29/553752229.db2.gz MZAVXOIUIAFUDQ-HSZRJFAPSA-N 1 2 501.608 4.016 40 0 KIABLO COc1ccc(C)cc1N1C(=O)C[C@@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000022829604 553754526 /nfs/dbraw/zinc/75/45/26/553754526.db2.gz MOYHEEKAZPQVJZ-RUZDIDTESA-N 1 2 505.565 4.321 40 0 KIABLO O=C(c1cnn2c1nc(-c1ccc(F)cc1)cc2C(F)F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022833726 553756195 /nfs/dbraw/zinc/75/61/95/553756195.db2.gz QNCXNZBESQJYHV-UHFFFAOYSA-N 1 2 509.488 4.160 40 0 KIABLO CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000022843690 553759573 /nfs/dbraw/zinc/75/95/73/553759573.db2.gz ZRSOBQYDDHPPBB-UHFFFAOYSA-N 1 2 518.683 4.244 40 0 KIABLO CCOC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000022843690 553759572 /nfs/dbraw/zinc/75/95/72/553759572.db2.gz ZRSOBQYDDHPPBB-UHFFFAOYSA-N 1 2 518.683 4.244 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866415 553763782 /nfs/dbraw/zinc/76/37/82/553763782.db2.gz NHPUYGTWGXNLMY-LJAQVGFWSA-N 1 2 555.683 4.218 40 0 KIABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022866527 553764089 /nfs/dbraw/zinc/76/40/89/553764089.db2.gz NHPUYGTWGXNLMY-GDLZYMKVSA-N 1 2 555.683 4.218 40 0 KIABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000022869257 553764502 /nfs/dbraw/zinc/76/45/02/553764502.db2.gz LOYWNFOVAMBHCR-SANMLTNESA-N 1 2 534.064 4.199 40 0 KIABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc2c1 ZINC000022869305 553764415 /nfs/dbraw/zinc/76/44/15/553764415.db2.gz LOYWNFOVAMBHCR-AREMUKBSSA-N 1 2 534.064 4.199 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869606 553764712 /nfs/dbraw/zinc/76/47/12/553764712.db2.gz NCYABHRURQHUCW-LJAQVGFWSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000022869689 553764666 /nfs/dbraw/zinc/76/46/66/553764666.db2.gz NCYABHRURQHUCW-GDLZYMKVSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869756 553764661 /nfs/dbraw/zinc/76/46/61/553764661.db2.gz ZWRWFOHVHBMZEO-LJAQVGFWSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1 ZINC000022869834 553765012 /nfs/dbraw/zinc/76/50/12/553765012.db2.gz ZWRWFOHVHBMZEO-GDLZYMKVSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870137 553765046 /nfs/dbraw/zinc/76/50/46/553765046.db2.gz CYKFZDYWEBSIFV-LJAQVGFWSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2cc1C ZINC000022870239 553765302 /nfs/dbraw/zinc/76/53/02/553765302.db2.gz CYKFZDYWEBSIFV-GDLZYMKVSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022870342 553765335 /nfs/dbraw/zinc/76/53/35/553765335.db2.gz BSZGMLJMEWSWIT-LJAQVGFWSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc12 ZINC000022871613 553765548 /nfs/dbraw/zinc/76/55/48/553765548.db2.gz BSZGMLJMEWSWIT-GDLZYMKVSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872712 553765802 /nfs/dbraw/zinc/76/58/02/553765802.db2.gz SKMAVARBJRMNGR-LJAQVGFWSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)[nH]c2c1C ZINC000022872760 553765875 /nfs/dbraw/zinc/76/58/75/553765875.db2.gz SKMAVARBJRMNGR-GDLZYMKVSA-N 1 2 555.683 4.273 40 0 KIABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928376 553767375 /nfs/dbraw/zinc/76/73/75/553767375.db2.gz HMENQWQBVWGLNO-HHHXNRCGSA-N 1 2 521.710 4.168 40 0 KIABLO Cc1cc2cc(C[N@H+](CCN3CCOCC3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928376 553767374 /nfs/dbraw/zinc/76/73/74/553767374.db2.gz HMENQWQBVWGLNO-HHHXNRCGSA-N 1 2 521.710 4.168 40 0 KIABLO Cc1cc2cc(C[N@@H+](CCN3CCOCC3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928376 553767372 /nfs/dbraw/zinc/76/73/72/553767372.db2.gz HMENQWQBVWGLNO-HHHXNRCGSA-N 1 2 521.710 4.168 40 0 KIABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928380 553767412 /nfs/dbraw/zinc/76/74/12/553767412.db2.gz HMENQWQBVWGLNO-MHZLTWQESA-N 1 2 521.710 4.168 40 0 KIABLO Cc1cc2cc(C[N@H+](CCN3CCOCC3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928380 553767410 /nfs/dbraw/zinc/76/74/10/553767410.db2.gz HMENQWQBVWGLNO-MHZLTWQESA-N 1 2 521.710 4.168 40 0 KIABLO Cc1cc2cc(C[N@@H+](CCN3CCOCC3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000022928380 553767407 /nfs/dbraw/zinc/76/74/07/553767407.db2.gz HMENQWQBVWGLNO-MHZLTWQESA-N 1 2 521.710 4.168 40 0 KIABLO COc1ccccc1N1CCN(C(=O)[C@@H](C)[C@@H]2CCc3c(C)cc(OCC[NH+]4CCOCC4)c(C)c3C2)CC1 ZINC000025209100 553806102 /nfs/dbraw/zinc/80/61/02/553806102.db2.gz KYRYYWMAQDTZDN-AZGAKELHSA-N 1 2 535.729 4.113 40 0 biogenic,in-vitro KIABLO C[C@@H]1Cc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000025767357 553813536 /nfs/dbraw/zinc/81/35/36/553813536.db2.gz OHRISJUYNZAAEK-OXHGWOFKSA-N 1 2 501.652 4.298 40 0 KIABLO C[C@H]1Cc2cc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)ccc2N1S(=O)(=O)c1ccccc1 ZINC000025767361 553813477 /nfs/dbraw/zinc/81/34/77/553813477.db2.gz OHRISJUYNZAAEK-HDFUYHJRSA-N 1 2 501.652 4.298 40 0 KIABLO COc1cc(C(=O)O[C@@H](COCCC23CC4CC(CC(C4)C2)C3)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000026781898 553821181 /nfs/dbraw/zinc/82/11/81/553821181.db2.gz KJECUXAEKGJGDA-UBMWJQISSA-N 1 2 517.663 4.193 40 0 KIABLO COc1cc(C(=O)O[C@H](COCCC23CC4CC(CC(C4)C2)C3)C[NH+]2CCOCC2)cc(OC)c1OC ZINC000026781900 553821203 /nfs/dbraw/zinc/82/12/03/553821203.db2.gz KJECUXAEKGJGDA-IPGZOCRXSA-N 1 2 517.663 4.193 40 0 KIABLO Cc1csc2c1ncnc2N[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000029126798 553844272 /nfs/dbraw/zinc/84/42/72/553844272.db2.gz BPRNMVDTWIHULJ-AWEZNQCLSA-N 1 2 500.477 4.113 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000030755932 553856966 /nfs/dbraw/zinc/85/69/66/553856966.db2.gz RBGZZBZVDRFKJF-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000030849185 553857786 /nfs/dbraw/zinc/85/77/86/553857786.db2.gz WMPLRTYGGKEKLO-UHFFFAOYSA-N 1 2 507.443 4.037 40 0 KIABLO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030849377 553857728 /nfs/dbraw/zinc/85/77/28/553857728.db2.gz MIMGRVQDYIJQOU-UHFFFAOYSA-N 1 2 525.030 4.436 40 0 KIABLO CC1=C[C@@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881621 553860861 /nfs/dbraw/zinc/86/08/61/553860861.db2.gz YFIYYGYBHXOERW-QKDODKLFSA-N 1 2 524.731 4.095 40 0 biogenic,in-vitro KIABLO COc1ccccc1C(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C(C)C ZINC000030881728 553860787 /nfs/dbraw/zinc/86/07/87/553860787.db2.gz XQTSPMXBWZEVCV-GNKBHMEESA-N 1 2 504.675 4.414 40 0 biogenic,in-vitro KIABLO CC1=C[C@@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881742 553860851 /nfs/dbraw/zinc/86/08/51/553860851.db2.gz FXDBKVKPHLIGIC-KLJDGLGGSA-N 1 2 504.675 4.170 40 0 biogenic,in-vitro KIABLO O=C1S/C(=C2/c3cc(Br)ccc3N(CN3CCCCC3)C2=O)C(=O)N1C[NH+]1CCCCC1 ZINC000031771896 553861838 /nfs/dbraw/zinc/86/18/38/553861838.db2.gz DONGAJIVISDVIZ-VXPUYCOJSA-N 1 2 519.465 4.089 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000033936964 553977932 /nfs/dbraw/zinc/97/79/32/553977932.db2.gz XMVKKEHCCZTCAI-VPUSJEBWSA-N 1 2 516.646 4.266 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000033936964 553977930 /nfs/dbraw/zinc/97/79/30/553977930.db2.gz XMVKKEHCCZTCAI-VPUSJEBWSA-N 1 2 516.646 4.266 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033936967 553977888 /nfs/dbraw/zinc/97/78/88/553977888.db2.gz KAARMSVEVRDWSB-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033936967 553977885 /nfs/dbraw/zinc/97/78/85/553977885.db2.gz KAARMSVEVRDWSB-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033936968 553977864 /nfs/dbraw/zinc/97/78/64/553977864.db2.gz KAARMSVEVRDWSB-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000033936968 553977861 /nfs/dbraw/zinc/97/78/61/553977861.db2.gz KAARMSVEVRDWSB-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936999 553978123 /nfs/dbraw/zinc/97/81/23/553978123.db2.gz COBIATQNVGFOAT-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936999 553978119 /nfs/dbraw/zinc/97/81/19/553978119.db2.gz COBIATQNVGFOAT-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033937000 553978265 /nfs/dbraw/zinc/97/82/65/553978265.db2.gz COBIATQNVGFOAT-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033937000 553978263 /nfs/dbraw/zinc/97/82/63/553978263.db2.gz COBIATQNVGFOAT-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937015 553978109 /nfs/dbraw/zinc/97/81/09/553978109.db2.gz KBXHYLAGCOHMIP-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937015 553978105 /nfs/dbraw/zinc/97/81/05/553978105.db2.gz KBXHYLAGCOHMIP-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937016 553978329 /nfs/dbraw/zinc/97/83/29/553978329.db2.gz KBXHYLAGCOHMIP-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937016 553978326 /nfs/dbraw/zinc/97/83/26/553978326.db2.gz KBXHYLAGCOHMIP-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000033937025 553978213 /nfs/dbraw/zinc/97/82/13/553978213.db2.gz CVNIMFDTEPAKSY-NOZRDPDXSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000033937025 553978210 /nfs/dbraw/zinc/97/82/10/553978210.db2.gz CVNIMFDTEPAKSY-NOZRDPDXSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000033937026 553978173 /nfs/dbraw/zinc/97/81/73/553978173.db2.gz CVNIMFDTEPAKSY-ILBGXUMGSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000033937026 553978167 /nfs/dbraw/zinc/97/81/67/553978167.db2.gz CVNIMFDTEPAKSY-ILBGXUMGSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937029 553978097 /nfs/dbraw/zinc/97/80/97/553978097.db2.gz SDFNYTJPZCVGIN-VPUSJEBWSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937029 553978093 /nfs/dbraw/zinc/97/80/93/553978093.db2.gz SDFNYTJPZCVGIN-VPUSJEBWSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937030 553978287 /nfs/dbraw/zinc/97/82/87/553978287.db2.gz SDFNYTJPZCVGIN-XNMGPUDCSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937030 553978284 /nfs/dbraw/zinc/97/82/84/553978284.db2.gz SDFNYTJPZCVGIN-XNMGPUDCSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937067 553978653 /nfs/dbraw/zinc/97/86/53/553978653.db2.gz VLOWNMSNUNHINO-RSXGOPAZSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937067 553978651 /nfs/dbraw/zinc/97/86/51/553978651.db2.gz VLOWNMSNUNHINO-RSXGOPAZSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937068 553978572 /nfs/dbraw/zinc/97/85/72/553978572.db2.gz VLOWNMSNUNHINO-AOYPEHQESA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937068 553978569 /nfs/dbraw/zinc/97/85/69/553978569.db2.gz VLOWNMSNUNHINO-AOYPEHQESA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937069 553978528 /nfs/dbraw/zinc/97/85/28/553978528.db2.gz AMKFABBGCUZZSK-VWNXMTODSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937069 553978526 /nfs/dbraw/zinc/97/85/26/553978526.db2.gz AMKFABBGCUZZSK-VWNXMTODSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937070 553978509 /nfs/dbraw/zinc/97/85/09/553978509.db2.gz AMKFABBGCUZZSK-ISKFKSNPSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937070 553978506 /nfs/dbraw/zinc/97/85/06/553978506.db2.gz AMKFABBGCUZZSK-ISKFKSNPSA-N 1 2 530.629 4.193 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937085 553978677 /nfs/dbraw/zinc/97/86/77/553978677.db2.gz WQRFSOFLNVXFLH-RSXGOPAZSA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937085 553978674 /nfs/dbraw/zinc/97/86/74/553978674.db2.gz WQRFSOFLNVXFLH-RSXGOPAZSA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937086 553978685 /nfs/dbraw/zinc/97/86/85/553978685.db2.gz WQRFSOFLNVXFLH-AOYPEHQESA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937086 553978683 /nfs/dbraw/zinc/97/86/83/553978683.db2.gz WQRFSOFLNVXFLH-AOYPEHQESA-N 1 2 502.619 4.246 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937107 553978895 /nfs/dbraw/zinc/97/88/95/553978895.db2.gz YNDKFEZEYPUQMV-RSXGOPAZSA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937107 553978893 /nfs/dbraw/zinc/97/88/93/553978893.db2.gz YNDKFEZEYPUQMV-RSXGOPAZSA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937108 553978890 /nfs/dbraw/zinc/97/88/90/553978890.db2.gz YNDKFEZEYPUQMV-AOYPEHQESA-N 1 2 520.609 4.385 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937108 553978888 /nfs/dbraw/zinc/97/88/88/553978888.db2.gz YNDKFEZEYPUQMV-AOYPEHQESA-N 1 2 520.609 4.385 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937111 553978936 /nfs/dbraw/zinc/97/89/36/553978936.db2.gz ZDAIMPVIYDCBHF-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937111 553978934 /nfs/dbraw/zinc/97/89/34/553978934.db2.gz ZDAIMPVIYDCBHF-RSXGOPAZSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937112 553978972 /nfs/dbraw/zinc/97/89/72/553978972.db2.gz ZDAIMPVIYDCBHF-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937112 553978970 /nfs/dbraw/zinc/97/89/70/553978970.db2.gz ZDAIMPVIYDCBHF-AOYPEHQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937113 553978884 /nfs/dbraw/zinc/97/88/84/553978884.db2.gz ZVBJURYBRZRWKB-FTJBHMTQSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937113 553978882 /nfs/dbraw/zinc/97/88/82/553978882.db2.gz ZVBJURYBRZRWKB-FTJBHMTQSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937114 553978959 /nfs/dbraw/zinc/97/89/59/553978959.db2.gz ZVBJURYBRZRWKB-CLJLJLNGSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937114 553978957 /nfs/dbraw/zinc/97/89/57/553978957.db2.gz ZVBJURYBRZRWKB-CLJLJLNGSA-N 1 2 516.646 4.473 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937115 553978920 /nfs/dbraw/zinc/97/89/20/553978920.db2.gz FMNMCFUMNACQPQ-VPUSJEBWSA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937115 553978918 /nfs/dbraw/zinc/97/89/18/553978918.db2.gz FMNMCFUMNACQPQ-VPUSJEBWSA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937116 553978900 /nfs/dbraw/zinc/97/89/00/553978900.db2.gz FMNMCFUMNACQPQ-XNMGPUDCSA-N 1 2 532.645 4.254 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(OC)cc3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937116 553978898 /nfs/dbraw/zinc/97/88/98/553978898.db2.gz FMNMCFUMNACQPQ-XNMGPUDCSA-N 1 2 532.645 4.254 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937119 553978925 /nfs/dbraw/zinc/97/89/25/553978925.db2.gz PVIDMIZDYIOWEC-RPWUZVMVSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937119 553978924 /nfs/dbraw/zinc/97/89/24/553978924.db2.gz PVIDMIZDYIOWEC-RPWUZVMVSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937120 553978948 /nfs/dbraw/zinc/97/89/48/553978948.db2.gz PVIDMIZDYIOWEC-DNQXCXABSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937120 553978943 /nfs/dbraw/zinc/97/89/43/553978943.db2.gz PVIDMIZDYIOWEC-DNQXCXABSA-N 1 2 530.629 4.193 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000033937142 553978834 /nfs/dbraw/zinc/97/88/34/553978834.db2.gz XBQCJVPLHUPHDP-AZGAKELHSA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000033937142 553978832 /nfs/dbraw/zinc/97/88/32/553978832.db2.gz XBQCJVPLHUPHDP-AZGAKELHSA-N 1 2 520.609 4.233 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000033937148 553978876 /nfs/dbraw/zinc/97/88/76/553978876.db2.gz DXFTYWBZYWTBCU-AHKZPQOWSA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000033937148 553978874 /nfs/dbraw/zinc/97/88/74/553978874.db2.gz DXFTYWBZYWTBCU-AHKZPQOWSA-N 1 2 516.646 4.288 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937165 553978905 /nfs/dbraw/zinc/97/89/05/553978905.db2.gz RBAJZHKVGNCCFM-QPPBQGQZSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937165 553978904 /nfs/dbraw/zinc/97/89/04/553978904.db2.gz RBAJZHKVGNCCFM-QPPBQGQZSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937166 553978911 /nfs/dbraw/zinc/97/89/11/553978911.db2.gz RBAJZHKVGNCCFM-ZJSXRUAMSA-N 1 2 508.648 4.307 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937166 553978909 /nfs/dbraw/zinc/97/89/09/553978909.db2.gz RBAJZHKVGNCCFM-ZJSXRUAMSA-N 1 2 508.648 4.307 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000033937228 553979355 /nfs/dbraw/zinc/97/93/55/553979355.db2.gz HFLXZXPWMCQMDF-RSXGOPAZSA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000033937228 553979352 /nfs/dbraw/zinc/97/93/52/553979352.db2.gz HFLXZXPWMCQMDF-RSXGOPAZSA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000033937229 553979315 /nfs/dbraw/zinc/97/93/15/553979315.db2.gz HFLXZXPWMCQMDF-AOYPEHQESA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000033937229 553979312 /nfs/dbraw/zinc/97/93/12/553979312.db2.gz HFLXZXPWMCQMDF-AOYPEHQESA-N 1 2 520.609 4.241 40 0 KIABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3OC)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000033937242 553979196 /nfs/dbraw/zinc/97/91/96/553979196.db2.gz PAIBGZNXDUCOAB-SQHAQQRYSA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@H+](Cc3ccccc3OC)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000033937242 553979193 /nfs/dbraw/zinc/97/91/93/553979193.db2.gz PAIBGZNXDUCOAB-SQHAQQRYSA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@@H+](Cc3ccccc3OC)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000033937243 553979156 /nfs/dbraw/zinc/97/91/56/553979156.db2.gz PAIBGZNXDUCOAB-SHQCIBLASA-N 1 2 532.645 4.110 40 0 KIABLO COc1ccc2cc(C[N@H+](Cc3ccccc3OC)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000033937243 553979153 /nfs/dbraw/zinc/97/91/53/553979153.db2.gz PAIBGZNXDUCOAB-SHQCIBLASA-N 1 2 532.645 4.110 40 0 KIABLO Cc1cccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000033937324 553979508 /nfs/dbraw/zinc/97/95/08/553979508.db2.gz VCASLWMRSNYHAJ-XNMGPUDCSA-N 1 2 500.647 4.444 40 0 KIABLO Cc1cccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000033937324 553979505 /nfs/dbraw/zinc/97/95/05/553979505.db2.gz VCASLWMRSNYHAJ-XNMGPUDCSA-N 1 2 500.647 4.444 40 0 KIABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937352 553979499 /nfs/dbraw/zinc/97/94/99/553979499.db2.gz BZDWCNJKYDKNCF-RPWUZVMVSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937352 553979498 /nfs/dbraw/zinc/97/94/98/553979498.db2.gz BZDWCNJKYDKNCF-RPWUZVMVSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937353 553979559 /nfs/dbraw/zinc/97/95/59/553979559.db2.gz BZDWCNJKYDKNCF-DNQXCXABSA-N 1 2 530.629 4.274 40 0 KIABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937353 553979557 /nfs/dbraw/zinc/97/95/57/553979557.db2.gz BZDWCNJKYDKNCF-DNQXCXABSA-N 1 2 530.629 4.274 40 0 KIABLO CCOC(=O)C1C(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000034087012 553980615 /nfs/dbraw/zinc/98/06/15/553980615.db2.gz XCMGVMZZXNHNBO-BTTMQRIASA-N 1 2 513.997 4.165 40 0 KIABLO CCOC(=O)C1C(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000034087012 553980612 /nfs/dbraw/zinc/98/06/12/553980612.db2.gz XCMGVMZZXNHNBO-BTTMQRIASA-N 1 2 513.997 4.165 40 0 KIABLO O=C(CN(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000038556546 554275201 /nfs/dbraw/zinc/27/52/01/554275201.db2.gz WTACDQJYCAZRAU-UHFFFAOYSA-N 1 2 515.850 4.241 40 0 KIABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000038771151 554277055 /nfs/dbraw/zinc/27/70/55/554277055.db2.gz XIODFFJVIGCSHP-UHFFFAOYSA-N 1 2 525.030 4.436 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000038772535 554277235 /nfs/dbraw/zinc/27/72/35/554277235.db2.gz LZTMLRDZENJFSN-GOSISDBHSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000038772539 554277223 /nfs/dbraw/zinc/27/72/23/554277223.db2.gz LZTMLRDZENJFSN-SFHVURJKSA-N 1 2 507.443 4.037 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc2)cc1 ZINC000044947010 554310398 /nfs/dbraw/zinc/31/03/98/554310398.db2.gz LRMTWLHYOAQVDU-UHFFFAOYSA-N 1 2 511.003 4.046 40 0 KIABLO COc1ccccc1N1CC[NH+](CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1 ZINC000053045016 554329762 /nfs/dbraw/zinc/32/97/62/554329762.db2.gz DHMLNZRDVQLQBB-UHFFFAOYSA-N 1 2 542.421 4.164 40 0 in-vitro KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589757 554357740 /nfs/dbraw/zinc/35/77/40/554357740.db2.gz MLMLUOMZYCBJNC-IGKIAQTJSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589757 554357738 /nfs/dbraw/zinc/35/77/38/554357738.db2.gz MLMLUOMZYCBJNC-IGKIAQTJSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589761 554357846 /nfs/dbraw/zinc/35/78/46/554357846.db2.gz MLMLUOMZYCBJNC-RPLLCQBOSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589761 554357841 /nfs/dbraw/zinc/35/78/41/554357841.db2.gz MLMLUOMZYCBJNC-RPLLCQBOSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589763 554357704 /nfs/dbraw/zinc/35/77/04/554357704.db2.gz MLMLUOMZYCBJNC-SQHAQQRYSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589763 554357701 /nfs/dbraw/zinc/35/77/01/554357701.db2.gz MLMLUOMZYCBJNC-SQHAQQRYSA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589765 554357784 /nfs/dbraw/zinc/35/77/84/554357784.db2.gz MLMLUOMZYCBJNC-SHQCIBLASA-N 1 2 514.605 4.328 40 0 KIABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc2c1 ZINC000057589765 554357781 /nfs/dbraw/zinc/35/77/81/554357781.db2.gz MLMLUOMZYCBJNC-SHQCIBLASA-N 1 2 514.605 4.328 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594646 554358086 /nfs/dbraw/zinc/35/80/86/554358086.db2.gz DJNRLYAGSVCSNC-MHZLTWQESA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594646 554358083 /nfs/dbraw/zinc/35/80/83/554358083.db2.gz DJNRLYAGSVCSNC-MHZLTWQESA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594651 554358130 /nfs/dbraw/zinc/35/81/30/554358130.db2.gz DJNRLYAGSVCSNC-HHHXNRCGSA-N 1 2 510.598 4.192 40 0 KIABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000057594651 554358127 /nfs/dbraw/zinc/35/81/27/554358127.db2.gz DJNRLYAGSVCSNC-HHHXNRCGSA-N 1 2 510.598 4.192 40 0 KIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057595051 554358613 /nfs/dbraw/zinc/35/86/13/554358613.db2.gz NGUGMMSDFPAJII-RUZDIDTESA-N 1 2 516.577 4.406 40 0 KIABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057595051 554358609 /nfs/dbraw/zinc/35/86/09/554358609.db2.gz NGUGMMSDFPAJII-RUZDIDTESA-N 1 2 516.577 4.406 40 0 KIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057595055 554358593 /nfs/dbraw/zinc/35/85/93/554358593.db2.gz NGUGMMSDFPAJII-VWLOTQADSA-N 1 2 516.577 4.406 40 0 KIABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057595055 554358587 /nfs/dbraw/zinc/35/85/87/554358587.db2.gz NGUGMMSDFPAJII-VWLOTQADSA-N 1 2 516.577 4.406 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595060 554358629 /nfs/dbraw/zinc/35/86/29/554358629.db2.gz IUZMRKSSSXXQAM-SANMLTNESA-N 1 2 514.561 4.376 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595060 554358625 /nfs/dbraw/zinc/35/86/25/554358625.db2.gz IUZMRKSSSXXQAM-SANMLTNESA-N 1 2 514.561 4.376 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[N@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595064 554358580 /nfs/dbraw/zinc/35/85/80/554358580.db2.gz IUZMRKSSSXXQAM-AREMUKBSSA-N 1 2 514.561 4.376 40 0 KIABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[N@@H+]1CC=C(c2ccc(F)cc2)CC1)OCO3 ZINC000057595064 554358573 /nfs/dbraw/zinc/35/85/73/554358573.db2.gz IUZMRKSSSXXQAM-AREMUKBSSA-N 1 2 514.561 4.376 40 0 KIABLO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608904 554360545 /nfs/dbraw/zinc/36/05/45/554360545.db2.gz DWCSHVJGNNBYOM-XMMPIXPASA-N 1 2 502.550 4.016 40 0 KIABLO CC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608904 554360543 /nfs/dbraw/zinc/36/05/43/554360543.db2.gz DWCSHVJGNNBYOM-XMMPIXPASA-N 1 2 502.550 4.016 40 0 KIABLO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608907 554360508 /nfs/dbraw/zinc/36/05/08/554360508.db2.gz DWCSHVJGNNBYOM-DEOSSOPVSA-N 1 2 502.550 4.016 40 0 KIABLO CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608907 554360506 /nfs/dbraw/zinc/36/05/06/554360506.db2.gz DWCSHVJGNNBYOM-DEOSSOPVSA-N 1 2 502.550 4.016 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640643 554360935 /nfs/dbraw/zinc/36/09/35/554360935.db2.gz XMVKKEHCCZTCAI-BDYUSTAISA-N 1 2 516.646 4.266 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000057640643 554360933 /nfs/dbraw/zinc/36/09/33/554360933.db2.gz XMVKKEHCCZTCAI-BDYUSTAISA-N 1 2 516.646 4.266 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640764 554361144 /nfs/dbraw/zinc/36/11/44/554361144.db2.gz KAARMSVEVRDWSB-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640764 554361140 /nfs/dbraw/zinc/36/11/40/554361140.db2.gz KAARMSVEVRDWSB-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640768 554361119 /nfs/dbraw/zinc/36/11/19/554361119.db2.gz KAARMSVEVRDWSB-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640768 554361116 /nfs/dbraw/zinc/36/11/16/554361116.db2.gz KAARMSVEVRDWSB-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641039 554361303 /nfs/dbraw/zinc/36/13/03/554361303.db2.gz COBIATQNVGFOAT-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641039 554361300 /nfs/dbraw/zinc/36/13/00/554361300.db2.gz COBIATQNVGFOAT-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641041 554361482 /nfs/dbraw/zinc/36/14/82/554361482.db2.gz COBIATQNVGFOAT-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641041 554361478 /nfs/dbraw/zinc/36/14/78/554361478.db2.gz COBIATQNVGFOAT-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641209 554361770 /nfs/dbraw/zinc/36/17/70/554361770.db2.gz KBXHYLAGCOHMIP-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641209 554361768 /nfs/dbraw/zinc/36/17/68/554361768.db2.gz KBXHYLAGCOHMIP-AHWVRZQESA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641211 554361915 /nfs/dbraw/zinc/36/19/15/554361915.db2.gz KBXHYLAGCOHMIP-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641211 554361911 /nfs/dbraw/zinc/36/19/11/554361911.db2.gz KBXHYLAGCOHMIP-AZGAKELHSA-N 1 2 502.619 4.164 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641380 554362118 /nfs/dbraw/zinc/36/21/18/554362118.db2.gz DLWSMLQDQQJQLJ-GMAHTHKFSA-N 1 2 510.639 4.169 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641380 554362114 /nfs/dbraw/zinc/36/21/14/554362114.db2.gz DLWSMLQDQQJQLJ-GMAHTHKFSA-N 1 2 510.639 4.169 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641383 554362350 /nfs/dbraw/zinc/36/23/50/554362350.db2.gz DLWSMLQDQQJQLJ-JTHBVZDNSA-N 1 2 510.639 4.169 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641383 554362348 /nfs/dbraw/zinc/36/23/48/554362348.db2.gz DLWSMLQDQQJQLJ-JTHBVZDNSA-N 1 2 510.639 4.169 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641401 554362288 /nfs/dbraw/zinc/36/22/88/554362288.db2.gz CVNIMFDTEPAKSY-ZCYQVOJMSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641401 554362283 /nfs/dbraw/zinc/36/22/83/554362283.db2.gz CVNIMFDTEPAKSY-ZCYQVOJMSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641405 554362386 /nfs/dbraw/zinc/36/23/86/554362386.db2.gz CVNIMFDTEPAKSY-UKILVPOCSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000057641405 554362384 /nfs/dbraw/zinc/36/23/84/554362384.db2.gz CVNIMFDTEPAKSY-UKILVPOCSA-N 1 2 532.645 4.173 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641506 554362263 /nfs/dbraw/zinc/36/22/63/554362263.db2.gz SDFNYTJPZCVGIN-BDYUSTAISA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641506 554362258 /nfs/dbraw/zinc/36/22/58/554362258.db2.gz SDFNYTJPZCVGIN-BDYUSTAISA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641510 554362225 /nfs/dbraw/zinc/36/22/25/554362225.db2.gz SDFNYTJPZCVGIN-AHKZPQOWSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641510 554362221 /nfs/dbraw/zinc/36/22/21/554362221.db2.gz SDFNYTJPZCVGIN-AHKZPQOWSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641928 554362965 /nfs/dbraw/zinc/36/29/65/554362965.db2.gz CUKRKTXNJUBVHU-OZXSUGGESA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641928 554362963 /nfs/dbraw/zinc/36/29/63/554362963.db2.gz CUKRKTXNJUBVHU-OZXSUGGESA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641933 554362959 /nfs/dbraw/zinc/36/29/59/554362959.db2.gz CUKRKTXNJUBVHU-JYFHCDHNSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641933 554362957 /nfs/dbraw/zinc/36/29/57/554362957.db2.gz CUKRKTXNJUBVHU-JYFHCDHNSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642272 554363396 /nfs/dbraw/zinc/36/33/96/554363396.db2.gz VLOWNMSNUNHINO-AHWVRZQESA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642272 554363393 /nfs/dbraw/zinc/36/33/93/554363393.db2.gz VLOWNMSNUNHINO-AHWVRZQESA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642278 554363465 /nfs/dbraw/zinc/36/34/65/554363465.db2.gz VLOWNMSNUNHINO-AZGAKELHSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642278 554363460 /nfs/dbraw/zinc/36/34/60/554363460.db2.gz VLOWNMSNUNHINO-AZGAKELHSA-N 1 2 516.646 4.473 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642281 554363536 /nfs/dbraw/zinc/36/35/36/554363536.db2.gz AMKFABBGCUZZSK-LADGPHEKSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642281 554363532 /nfs/dbraw/zinc/36/35/32/554363532.db2.gz AMKFABBGCUZZSK-LADGPHEKSA-N 1 2 530.629 4.193 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642412 554363918 /nfs/dbraw/zinc/36/39/18/554363918.db2.gz OUXVIZXLAORCHT-ZCYQVOJMSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642412 554363914 /nfs/dbraw/zinc/36/39/14/554363914.db2.gz OUXVIZXLAORCHT-ZCYQVOJMSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642415 554363804 /nfs/dbraw/zinc/36/38/04/554363804.db2.gz OUXVIZXLAORCHT-UKILVPOCSA-N 1 2 504.610 4.451 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057642415 554363800 /nfs/dbraw/zinc/36/38/00/554363800.db2.gz OUXVIZXLAORCHT-UKILVPOCSA-N 1 2 504.610 4.451 40 0 KIABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 ZINC000059331608 554389776 /nfs/dbraw/zinc/38/97/76/554389776.db2.gz SEDXMVIEFKBVCU-UHFFFAOYSA-N 1 2 516.627 4.473 40 0 KIABLO CCCCCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000059498115 554399308 /nfs/dbraw/zinc/39/93/08/554399308.db2.gz GOHBNNCNROLQCG-UHFFFAOYSA-N 1 2 521.489 4.435 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000059531320 554406880 /nfs/dbraw/zinc/40/68/80/554406880.db2.gz XMVKKEHCCZTCAI-AHKZPQOWSA-N 1 2 516.646 4.266 40 0 KIABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1 ZINC000059531320 554406878 /nfs/dbraw/zinc/40/68/78/554406878.db2.gz XMVKKEHCCZTCAI-AHKZPQOWSA-N 1 2 516.646 4.266 40 0 KIABLO CC(C)(NC(=O)N1CCN(c2ccccn2)CC1)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000059608831 554411614 /nfs/dbraw/zinc/41/16/14/554411614.db2.gz XKMGOSUKFYARGU-UHFFFAOYSA-N 1 2 570.742 4.010 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2)cc1 ZINC000059852551 554451871 /nfs/dbraw/zinc/45/18/71/554451871.db2.gz JLXRZDZKZNZHDB-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(Cl)c2)cc1 ZINC000059853126 554453844 /nfs/dbraw/zinc/45/38/44/554453844.db2.gz GPRJKZDHZGZPSU-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cc(Cl)ccc2OC)cc1OC ZINC000059923054 554472827 /nfs/dbraw/zinc/47/28/27/554472827.db2.gz RYHPQYYFKPVQCT-UHFFFAOYSA-N 1 2 571.055 4.063 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cccc(Br)c2)cc1 ZINC000059923783 554474042 /nfs/dbraw/zinc/47/40/42/554474042.db2.gz OFSWHVXPJSHCAF-UHFFFAOYSA-N 1 2 539.455 4.455 40 0 KIABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000059924021 554474806 /nfs/dbraw/zinc/47/48/06/554474806.db2.gz ZQRKMGURLPNKPJ-UHFFFAOYSA-N 1 2 530.444 4.334 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cccc(Br)c2)cc1 ZINC000059924059 554474676 /nfs/dbraw/zinc/47/46/76/554474676.db2.gz HUYITULAUYUFLN-UHFFFAOYSA-N 1 2 539.455 4.455 40 0 KIABLO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000059928771 554476851 /nfs/dbraw/zinc/47/68/51/554476851.db2.gz ZYWDROOMECTINN-VMPITWQZSA-N 1 2 537.657 4.028 40 0 KIABLO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000059929166 554477534 /nfs/dbraw/zinc/47/75/34/554477534.db2.gz KOWPDDXKEZAAES-JXMROGBWSA-N 1 2 537.657 4.028 40 0 KIABLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000059929605 554478390 /nfs/dbraw/zinc/47/83/90/554478390.db2.gz RNKKJXXUBJZKAJ-MJZVOSTQSA-N 1 2 554.112 4.096 40 0 KIABLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000059929611 554478403 /nfs/dbraw/zinc/47/84/03/554478403.db2.gz RNKKJXXUBJZKAJ-LNFHGXOESA-N 1 2 554.112 4.096 40 0 KIABLO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000059929908 554478799 /nfs/dbraw/zinc/47/87/99/554478799.db2.gz IPJVRQVNWPYKQT-MEQIQYKBSA-N 1 2 547.721 4.141 40 0 KIABLO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000059929911 554478868 /nfs/dbraw/zinc/47/88/68/554478868.db2.gz IPJVRQVNWPYKQT-BVEXFFHSSA-N 1 2 547.721 4.141 40 0 KIABLO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000059930238 554479651 /nfs/dbraw/zinc/47/96/51/554479651.db2.gz SPPUANXCFKZLJD-CWBDRXANSA-N 1 2 568.139 4.486 40 0 KIABLO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000059930239 554479749 /nfs/dbraw/zinc/47/97/49/554479749.db2.gz SPPUANXCFKZLJD-LZZUIANGSA-N 1 2 568.139 4.486 40 0 KIABLO COc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000059930574 554480228 /nfs/dbraw/zinc/48/02/28/554480228.db2.gz UKBXNAKIFVUULN-XNTDXEJSSA-N 1 2 549.693 4.141 40 0 KIABLO COc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930815 554480716 /nfs/dbraw/zinc/48/07/16/554480716.db2.gz ZJZAMSGTVSVMKJ-UHFFFAOYSA-N 1 2 558.100 4.281 40 0 KIABLO COc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1OC ZINC000059930863 554480756 /nfs/dbraw/zinc/48/07/56/554480756.db2.gz URHRYDPOAYRONL-UHFFFAOYSA-N 1 2 602.109 4.010 40 0 KIABLO COc1cc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC ZINC000059931290 554481686 /nfs/dbraw/zinc/48/16/86/554481686.db2.gz XNFDXKDMVSSKAG-FMIVXFBMSA-N 1 2 567.683 4.280 40 0 KIABLO O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000060015884 554485850 /nfs/dbraw/zinc/48/58/50/554485850.db2.gz AJEFNRQNIHYLDQ-UHFFFAOYSA-N 1 2 525.428 4.147 40 0 KIABLO O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000060015921 554485867 /nfs/dbraw/zinc/48/58/67/554485867.db2.gz OUVSZHXLOFNARM-UHFFFAOYSA-N 1 2 525.428 4.147 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(Br)cc2)cc1 ZINC000060016390 554487342 /nfs/dbraw/zinc/48/73/42/554487342.db2.gz RLATYUDREVROGA-UHFFFAOYSA-N 1 2 539.455 4.455 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Br)cc2)cc1 ZINC000060016391 554487399 /nfs/dbraw/zinc/48/73/99/554487399.db2.gz VRECDMHTTKHYBG-UHFFFAOYSA-N 1 2 539.455 4.455 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(Cl)cc2)cc1OC ZINC000060028264 554491799 /nfs/dbraw/zinc/49/17/99/554491799.db2.gz AFDCDPZZALGILN-UHFFFAOYSA-N 1 2 541.029 4.055 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)cc2)cc1Br ZINC000060028813 554495903 /nfs/dbraw/zinc/49/59/03/554495903.db2.gz WRBBKCYLASQVOR-UHFFFAOYSA-N 1 2 569.481 4.464 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2Cl)cc1 ZINC000060060457 554499247 /nfs/dbraw/zinc/49/92/47/554499247.db2.gz UFUFWAYYIXTIKQ-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000067889494 554534394 /nfs/dbraw/zinc/53/43/94/554534394.db2.gz ORYCGCPBDPKFJG-DEOSSOPVSA-N 1 2 539.057 4.093 40 0 biogenic,in-vitro KIABLO OC[C@@H]1O[C@H](CN(Cc2ccc(F)cc2)Cc2ccc(F)cc2)[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000067890382 554534995 /nfs/dbraw/zinc/53/49/95/554534995.db2.gz JDROVWUOIUFUBZ-IBHPWDLASA-N 1 2 591.621 4.297 40 0 biogenic,in-vitro KIABLO OC[C@@H]1O[C@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)[C@@H]1O ZINC000067890385 554534942 /nfs/dbraw/zinc/53/49/42/554534942.db2.gz NEBLOKNXXUWCGM-IBHPWDLASA-N 1 2 574.524 4.446 40 0 biogenic,in-vitro KIABLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070670067 553600135 /nfs/dbraw/zinc/60/01/35/553600135.db2.gz LZNWGVMBDSGXCJ-YYHMWZIHSA-N 1 2 566.702 4.465 40 0 KIABLO CCc1ccc(N2C(=O)NC(=O)[C@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070670067 553600134 /nfs/dbraw/zinc/60/01/34/553600134.db2.gz LZNWGVMBDSGXCJ-YYHMWZIHSA-N 1 2 566.702 4.465 40 0 KIABLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070670068 553600073 /nfs/dbraw/zinc/60/00/73/553600073.db2.gz LZNWGVMBDSGXCJ-JQMMWCHWSA-N 1 2 566.702 4.465 40 0 KIABLO CCc1ccc(N2C(=O)NC(=O)[C@@](Cc3ccc(C(C)C)cc3)(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc1 ZINC000070670068 553600070 /nfs/dbraw/zinc/60/00/70/553600070.db2.gz LZNWGVMBDSGXCJ-JQMMWCHWSA-N 1 2 566.702 4.465 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)cc1 ZINC000072216440 553646285 /nfs/dbraw/zinc/64/62/85/553646285.db2.gz KQLHKSLATVTAGK-HSZRJFAPSA-N 1 2 500.665 4.363 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)cc1 ZINC000072216441 553646307 /nfs/dbraw/zinc/64/63/07/553646307.db2.gz KQLHKSLATVTAGK-QHCPKHFHSA-N 1 2 500.665 4.363 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000072216500 553646260 /nfs/dbraw/zinc/64/62/60/553646260.db2.gz YKJXBKACQYECHJ-HSZRJFAPSA-N 1 2 500.665 4.363 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000072216501 553646347 /nfs/dbraw/zinc/64/63/47/553646347.db2.gz YKJXBKACQYECHJ-QHCPKHFHSA-N 1 2 500.665 4.363 40 0 KIABLO COC(=O)c1ccc(COc2ccccc2C[NH+]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000072316837 553647346 /nfs/dbraw/zinc/64/73/46/553647346.db2.gz KSISWIVDFITFKQ-UHFFFAOYSA-N 1 2 573.734 4.419 40 0 KIABLO COc1cc(/C=C2/c3ccc(Cl)cc3N(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc(OC)c1OC ZINC000072332944 553650310 /nfs/dbraw/zinc/65/03/10/553650310.db2.gz WYJGEOSVEHYQES-FDMOWXKMSA-N 1 2 548.039 4.492 40 0 KIABLO COc1cc(/C=C2/c3ccc(Cl)cc3N(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)cc(OC)c1OC ZINC000072332944 553650308 /nfs/dbraw/zinc/65/03/08/553650308.db2.gz WYJGEOSVEHYQES-FDMOWXKMSA-N 1 2 548.039 4.492 40 0 KIABLO COc1cc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(c5ccccc5)CC4)cc3)cc2c(OC)c1OC ZINC000072336297 553650947 /nfs/dbraw/zinc/65/09/47/553650947.db2.gz OOUYRQQCMGRPPG-UHFFFAOYSA-N 1 2 500.599 4.493 40 0 KIABLO CCOC(=O)c1ccc(N2C(=O)C=C(N3CC[NH+](C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000098006128 554060925 /nfs/dbraw/zinc/06/09/25/554060925.db2.gz BOMDLVJCAHLIAJ-UHFFFAOYSA-N 1 2 531.559 4.306 40 0 KIABLO COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000100319402 554304201 /nfs/dbraw/zinc/30/42/01/554304201.db2.gz JRSGPAYTTUPCIW-UHFFFAOYSA-N 1 2 543.281 4.179 40 0 KIABLO O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100339444 554324356 /nfs/dbraw/zinc/32/43/56/554324356.db2.gz WDOSJUAEFSHJQF-UHFFFAOYSA-N 1 2 553.750 4.394 40 0 KIABLO O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000100339658 554324566 /nfs/dbraw/zinc/32/45/66/554324566.db2.gz YPYHDHSPUUEFQR-UHFFFAOYSA-N 1 2 539.723 4.003 40 0 KIABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1C ZINC000100346486 554330218 /nfs/dbraw/zinc/33/02/18/554330218.db2.gz QUHLZSAOKCAKRO-UHFFFAOYSA-N 1 2 536.683 4.384 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000100368360 554354429 /nfs/dbraw/zinc/35/44/29/554354429.db2.gz JBSNIZSEJFRBOP-UHFFFAOYSA-N 1 2 554.651 4.028 40 0 KIABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000100368360 554354427 /nfs/dbraw/zinc/35/44/27/554354427.db2.gz JBSNIZSEJFRBOP-UHFFFAOYSA-N 1 2 554.651 4.028 40 0 KIABLO COc1ccc2cc(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1 ZINC000100368364 554354442 /nfs/dbraw/zinc/35/44/42/554354442.db2.gz LQRQCNHIUBWTLY-UHFFFAOYSA-N 1 2 554.651 4.028 40 0 KIABLO COc1ccc2cc(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)c(=O)[nH]c2c1 ZINC000100368364 554354440 /nfs/dbraw/zinc/35/44/40/554354440.db2.gz LQRQCNHIUBWTLY-UHFFFAOYSA-N 1 2 554.651 4.028 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368609 554354483 /nfs/dbraw/zinc/35/44/83/554354483.db2.gz STARHSUQDVGNIY-UHFFFAOYSA-N 1 2 562.671 4.299 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2C2CCCCC2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368609 554354481 /nfs/dbraw/zinc/35/44/81/554354481.db2.gz STARHSUQDVGNIY-UHFFFAOYSA-N 1 2 562.671 4.299 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368711 554354875 /nfs/dbraw/zinc/35/48/75/554354875.db2.gz CVFXTJDOHRKIMN-UHFFFAOYSA-N 1 2 584.677 4.037 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1OC ZINC000100368711 554354870 /nfs/dbraw/zinc/35/48/70/554354870.db2.gz CVFXTJDOHRKIMN-UHFFFAOYSA-N 1 2 584.677 4.037 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370866 554356577 /nfs/dbraw/zinc/35/65/77/554356577.db2.gz XMMKUQGRFJHIOX-SANMLTNESA-N 1 2 598.660 4.471 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370866 554356573 /nfs/dbraw/zinc/35/65/73/554356573.db2.gz XMMKUQGRFJHIOX-SANMLTNESA-N 1 2 598.660 4.471 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370869 554356545 /nfs/dbraw/zinc/35/65/45/554356545.db2.gz XMMKUQGRFJHIOX-AREMUKBSSA-N 1 2 598.660 4.471 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000100370869 554356542 /nfs/dbraw/zinc/35/65/42/554356542.db2.gz XMMKUQGRFJHIOX-AREMUKBSSA-N 1 2 598.660 4.471 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371467 554356908 /nfs/dbraw/zinc/35/69/08/554356908.db2.gz WUBRRUXFAICTQZ-LJAQVGFWSA-N 1 2 543.716 4.050 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371467 554356905 /nfs/dbraw/zinc/35/69/05/554356905.db2.gz WUBRRUXFAICTQZ-LJAQVGFWSA-N 1 2 543.716 4.050 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371471 554356897 /nfs/dbraw/zinc/35/68/97/554356897.db2.gz WUBRRUXFAICTQZ-GDLZYMKVSA-N 1 2 543.716 4.050 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371471 554356895 /nfs/dbraw/zinc/35/68/95/554356895.db2.gz WUBRRUXFAICTQZ-GDLZYMKVSA-N 1 2 543.716 4.050 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100373466 554358362 /nfs/dbraw/zinc/35/83/62/554358362.db2.gz GNKUXKHXLKZJNZ-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100373466 554358360 /nfs/dbraw/zinc/35/83/60/554358360.db2.gz GNKUXKHXLKZJNZ-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000100373472 554358350 /nfs/dbraw/zinc/35/83/50/554358350.db2.gz HIFPLXCFCZHFHV-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000100373472 554358348 /nfs/dbraw/zinc/35/83/48/554358348.db2.gz HIFPLXCFCZHFHV-UHFFFAOYSA-N 1 2 542.615 4.273 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100373478 554358276 /nfs/dbraw/zinc/35/82/76/554358276.db2.gz AHNWFJGCVVRXTE-UHFFFAOYSA-N 1 2 572.641 4.363 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000100373478 554358273 /nfs/dbraw/zinc/35/82/73/554358273.db2.gz AHNWFJGCVVRXTE-UHFFFAOYSA-N 1 2 572.641 4.363 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100373697 554358440 /nfs/dbraw/zinc/35/84/40/554358440.db2.gz KZZZZNZJUTUUGD-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1OC ZINC000100373697 554358436 /nfs/dbraw/zinc/35/84/36/554358436.db2.gz KZZZZNZJUTUUGD-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO COc1ccc(CC[N@@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000100373700 554358431 /nfs/dbraw/zinc/35/84/31/554358431.db2.gz ZRQNZZWSZKVSFQ-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO COc1ccc(CC[N@H+](Cc2nnnn2CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000100373700 554358427 /nfs/dbraw/zinc/35/84/27/554358427.db2.gz ZRQNZZWSZKVSFQ-UHFFFAOYSA-N 1 2 538.652 4.328 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000100373708 554358306 /nfs/dbraw/zinc/35/83/06/554358306.db2.gz LLPJMCWWMRRDTL-UHFFFAOYSA-N 1 2 568.678 4.418 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccc(OC)c(OC)c3)Cc3nnnn3CCc3ccccc3)cc2c1 ZINC000100373708 554358303 /nfs/dbraw/zinc/35/83/03/554358303.db2.gz LLPJMCWWMRRDTL-UHFFFAOYSA-N 1 2 568.678 4.418 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375157 554359137 /nfs/dbraw/zinc/35/91/37/554359137.db2.gz DBJRQLBURBIVDO-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375157 554359133 /nfs/dbraw/zinc/35/91/33/554359133.db2.gz DBJRQLBURBIVDO-SANMLTNESA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375160 554359461 /nfs/dbraw/zinc/35/94/61/554359461.db2.gz DBJRQLBURBIVDO-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375160 554359458 /nfs/dbraw/zinc/35/94/58/554359458.db2.gz DBJRQLBURBIVDO-AREMUKBSSA-N 1 2 538.608 4.454 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375167 554359530 /nfs/dbraw/zinc/35/95/30/554359530.db2.gz XRQKNGVSGVIHBI-DEOSSOPVSA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375167 554359528 /nfs/dbraw/zinc/35/95/28/554359528.db2.gz XRQKNGVSGVIHBI-DEOSSOPVSA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375172 554359584 /nfs/dbraw/zinc/35/95/84/554359584.db2.gz XRQKNGVSGVIHBI-XMMPIXPASA-N 1 2 528.569 4.047 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375172 554359580 /nfs/dbraw/zinc/35/95/80/554359580.db2.gz XRQKNGVSGVIHBI-XMMPIXPASA-N 1 2 528.569 4.047 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000100375361 554359518 /nfs/dbraw/zinc/35/95/18/554359518.db2.gz IIOYXSKAKCMWST-VWLOTQADSA-N 1 2 542.596 4.437 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000100375361 554359514 /nfs/dbraw/zinc/35/95/14/554359514.db2.gz IIOYXSKAKCMWST-VWLOTQADSA-N 1 2 542.596 4.437 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000100375367 554359550 /nfs/dbraw/zinc/35/95/50/554359550.db2.gz IIOYXSKAKCMWST-RUZDIDTESA-N 1 2 542.596 4.437 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc4c(c3)OCO4)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000100375367 554359546 /nfs/dbraw/zinc/35/95/46/554359546.db2.gz IIOYXSKAKCMWST-RUZDIDTESA-N 1 2 542.596 4.437 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375388 554359452 /nfs/dbraw/zinc/35/94/52/554359452.db2.gz BFFAAVCDPFCBDL-DEOSSOPVSA-N 1 2 552.591 4.174 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375388 554359451 /nfs/dbraw/zinc/35/94/51/554359451.db2.gz BFFAAVCDPFCBDL-DEOSSOPVSA-N 1 2 552.591 4.174 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375392 554359959 /nfs/dbraw/zinc/35/99/59/554359959.db2.gz BFFAAVCDPFCBDL-XMMPIXPASA-N 1 2 552.591 4.174 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100375392 554359954 /nfs/dbraw/zinc/35/99/54/554359954.db2.gz BFFAAVCDPFCBDL-XMMPIXPASA-N 1 2 552.591 4.174 40 0 KIABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@@H+](Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000100382983 554363737 /nfs/dbraw/zinc/36/37/37/554363737.db2.gz WTOUYZXGCQNMDO-HKBQPEDESA-N 1 2 610.671 4.471 40 0 KIABLO COc1ccc(Cn2nnnc2[C@H](C(C)C)[N@H+](Cc2ccc3c(c2)OCO3)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 ZINC000100382983 554363736 /nfs/dbraw/zinc/36/37/36/554363736.db2.gz WTOUYZXGCQNMDO-HKBQPEDESA-N 1 2 610.671 4.471 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383193 554364221 /nfs/dbraw/zinc/36/42/21/554364221.db2.gz BOXKJNNEDULJAW-HOFKKMOUSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383193 554364215 /nfs/dbraw/zinc/36/42/15/554364215.db2.gz BOXKJNNEDULJAW-HOFKKMOUSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383197 554364240 /nfs/dbraw/zinc/36/42/40/554364240.db2.gz BOXKJNNEDULJAW-WNCULLNHSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383197 554364236 /nfs/dbraw/zinc/36/42/36/554364236.db2.gz BOXKJNNEDULJAW-WNCULLNHSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383203 554364350 /nfs/dbraw/zinc/36/43/50/554364350.db2.gz BOXKJNNEDULJAW-KCWPFWIISA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383203 554364346 /nfs/dbraw/zinc/36/43/46/554364346.db2.gz BOXKJNNEDULJAW-KCWPFWIISA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383207 554364311 /nfs/dbraw/zinc/36/43/11/554364311.db2.gz BOXKJNNEDULJAW-YIXXDRMTSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383207 554364306 /nfs/dbraw/zinc/36/43/06/554364306.db2.gz BOXKJNNEDULJAW-YIXXDRMTSA-N 1 2 550.635 4.249 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383211 554364145 /nfs/dbraw/zinc/36/41/45/554364145.db2.gz PCNOOQHUCHDSCQ-CPJSRVTESA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383211 554364140 /nfs/dbraw/zinc/36/41/40/554364140.db2.gz PCNOOQHUCHDSCQ-CPJSRVTESA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383215 554364335 /nfs/dbraw/zinc/36/43/35/554364335.db2.gz PCNOOQHUCHDSCQ-NBGIEHNGSA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383215 554364331 /nfs/dbraw/zinc/36/43/31/554364331.db2.gz PCNOOQHUCHDSCQ-NBGIEHNGSA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383218 554364177 /nfs/dbraw/zinc/36/41/77/554364177.db2.gz PCNOOQHUCHDSCQ-NLFFAJNJSA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383218 554364172 /nfs/dbraw/zinc/36/41/72/554364172.db2.gz PCNOOQHUCHDSCQ-NLFFAJNJSA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383222 554364270 /nfs/dbraw/zinc/36/42/70/554364270.db2.gz PCNOOQHUCHDSCQ-CJFMBICVSA-N 1 2 538.674 4.172 40 0 KIABLO COc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1OC ZINC000100383222 554364266 /nfs/dbraw/zinc/36/42/66/554364266.db2.gz PCNOOQHUCHDSCQ-CJFMBICVSA-N 1 2 538.674 4.172 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000100390436 554366508 /nfs/dbraw/zinc/36/65/08/554366508.db2.gz DNOOAVSREKSEHM-UHFFFAOYSA-N 1 2 563.747 4.412 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCN3CCOCC3)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000100390436 554366505 /nfs/dbraw/zinc/36/65/05/554366505.db2.gz DNOOAVSREKSEHM-UHFFFAOYSA-N 1 2 563.747 4.412 40 0 KIABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCN3CCOCC3)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000100390436 554366502 /nfs/dbraw/zinc/36/65/02/554366502.db2.gz DNOOAVSREKSEHM-UHFFFAOYSA-N 1 2 563.747 4.412 40 0 KIABLO Cc1ccc(Cn2c3nnc(CCC(=O)N4CC[NH+](CCOc5ccc(Cl)cc5)CC4)n3c3ccccc3c2=O)cc1 ZINC000101036605 554565806 /nfs/dbraw/zinc/56/58/06/554565806.db2.gz NWHMAOCZXXDLIK-UHFFFAOYSA-N 1 2 585.108 4.210 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000101343029 554736253 /nfs/dbraw/zinc/73/62/53/554736253.db2.gz CDDVJIBMDFKLEM-ABXWHYIOSA-N 1 2 521.198 4.187 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000101343029 554736251 /nfs/dbraw/zinc/73/62/51/554736251.db2.gz CDDVJIBMDFKLEM-ABXWHYIOSA-N 1 2 521.198 4.187 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000101343030 554736217 /nfs/dbraw/zinc/73/62/17/554736217.db2.gz CDDVJIBMDFKLEM-YDGKCNFYSA-N 1 2 521.198 4.187 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000101343030 554736214 /nfs/dbraw/zinc/73/62/14/554736214.db2.gz CDDVJIBMDFKLEM-YDGKCNFYSA-N 1 2 521.198 4.187 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000101343031 554736244 /nfs/dbraw/zinc/73/62/44/554736244.db2.gz CDDVJIBMDFKLEM-VIRVFLBCSA-N 1 2 521.198 4.187 40 0 KIABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000101343031 554736240 /nfs/dbraw/zinc/73/62/40/554736240.db2.gz CDDVJIBMDFKLEM-VIRVFLBCSA-N 1 2 521.198 4.187 40 0 KIABLO O=C(CCc1nnc2n1c1ccccc1c(=O)n2CCc1ccccc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000101532831 554795026 /nfs/dbraw/zinc/79/50/26/554795026.db2.gz BHKFIHHTXHNCPU-UHFFFAOYSA-N 1 2 585.108 4.096 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000102757924 555050348 /nfs/dbraw/zinc/05/03/48/555050348.db2.gz UELADTJVDCZMTL-SGGJORCASA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1cc(OC)ccc1OC ZINC000102757924 555050347 /nfs/dbraw/zinc/05/03/47/555050347.db2.gz UELADTJVDCZMTL-SGGJORCASA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC ZINC000102776469 555062951 /nfs/dbraw/zinc/06/29/51/555062951.db2.gz LPCJPGGIKRJCRE-SGGJORCASA-N 1 2 516.660 4.476 40 0 KIABLO COC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc(OC)cc1OC ZINC000102776469 555062948 /nfs/dbraw/zinc/06/29/48/555062948.db2.gz LPCJPGGIKRJCRE-SGGJORCASA-N 1 2 516.660 4.476 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102886805 555117561 /nfs/dbraw/zinc/11/75/61/555117561.db2.gz YQMSYCAEIQLCJS-NFGXINMFSA-N 1 2 557.990 4.227 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102886805 555117558 /nfs/dbraw/zinc/11/75/58/555117558.db2.gz YQMSYCAEIQLCJS-NFGXINMFSA-N 1 2 557.990 4.227 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102886809 555117483 /nfs/dbraw/zinc/11/74/83/555117483.db2.gz YQMSYCAEIQLCJS-GWMMUDDPSA-N 1 2 557.990 4.227 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102886809 555117481 /nfs/dbraw/zinc/11/74/81/555117481.db2.gz YQMSYCAEIQLCJS-GWMMUDDPSA-N 1 2 557.990 4.227 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102886814 555117571 /nfs/dbraw/zinc/11/75/71/555117571.db2.gz YQMSYCAEIQLCJS-FICKONGGSA-N 1 2 557.990 4.227 40 0 KIABLO COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102886814 555117568 /nfs/dbraw/zinc/11/75/68/555117568.db2.gz YQMSYCAEIQLCJS-FICKONGGSA-N 1 2 557.990 4.227 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529912 555430384 /nfs/dbraw/zinc/43/03/84/555430384.db2.gz FBXPYRVZIYTUAF-UPGQVNTMSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529912 555430382 /nfs/dbraw/zinc/43/03/82/555430382.db2.gz FBXPYRVZIYTUAF-UPGQVNTMSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529917 555430288 /nfs/dbraw/zinc/43/02/88/555430288.db2.gz FBXPYRVZIYTUAF-WRRILDOPSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529917 555430286 /nfs/dbraw/zinc/43/02/86/555430286.db2.gz FBXPYRVZIYTUAF-WRRILDOPSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529920 555430343 /nfs/dbraw/zinc/43/03/43/555430343.db2.gz FBXPYRVZIYTUAF-DVAJCUPOSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cccc4Cl)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000103529920 555430341 /nfs/dbraw/zinc/43/03/41/555430341.db2.gz FBXPYRVZIYTUAF-DVAJCUPOSA-N 1 2 574.033 4.380 40 0 KIABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[N@H+](Cc1ccccc1)CC2 ZINC000104054668 571371925 /nfs/dbraw/zinc/37/19/25/571371925.db2.gz KWKOAZLSXFGDBZ-UHFFFAOYSA-N 1 2 534.667 4.190 40 0 KIABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nnnn1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC2 ZINC000104054668 571371923 /nfs/dbraw/zinc/37/19/23/571371923.db2.gz KWKOAZLSXFGDBZ-UHFFFAOYSA-N 1 2 534.667 4.190 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087471 571373474 /nfs/dbraw/zinc/37/34/74/571373474.db2.gz GNVOSTVXFDIHMN-GHNRXTDWSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087471 571373473 /nfs/dbraw/zinc/37/34/73/571373473.db2.gz GNVOSTVXFDIHMN-GHNRXTDWSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087474 571373471 /nfs/dbraw/zinc/37/34/71/571373471.db2.gz GNVOSTVXFDIHMN-MMKALQOZSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087474 571373470 /nfs/dbraw/zinc/37/34/70/571373470.db2.gz GNVOSTVXFDIHMN-MMKALQOZSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087476 571373385 /nfs/dbraw/zinc/37/33/85/571373385.db2.gz GNVOSTVXFDIHMN-AHOAORCWSA-N 1 2 574.033 4.380 40 0 KIABLO COc1cc(C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104087476 571373383 /nfs/dbraw/zinc/37/33/83/571373383.db2.gz GNVOSTVXFDIHMN-AHOAORCWSA-N 1 2 574.033 4.380 40 0 KIABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)n1S(=O)(=O)c1ccccc1 ZINC000104406287 571380901 /nfs/dbraw/zinc/38/09/01/571380901.db2.gz TWTJBHSDYKCVJZ-UHFFFAOYSA-N 1 2 549.718 4.438 40 0 KIABLO COc1ccc(C)cc1N1C(=O)C[C@H](N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)C1=O ZINC000105330973 571403363 /nfs/dbraw/zinc/40/33/63/571403363.db2.gz MOYHEEKAZPQVJZ-VWLOTQADSA-N 1 2 505.565 4.321 40 0 KIABLO O=C1C[C@H](N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000105331041 571403357 /nfs/dbraw/zinc/40/33/57/571403357.db2.gz MZAVXOIUIAFUDQ-QHCPKHFHSA-N 1 2 501.608 4.016 40 0 KIABLO COc1c(Br)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000106133904 571411339 /nfs/dbraw/zinc/41/13/39/571411339.db2.gz YCPWLKBNYNAODH-UHFFFAOYSA-N 1 2 542.297 4.099 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1 ZINC000107689049 571420765 /nfs/dbraw/zinc/42/07/65/571420765.db2.gz SMLQZZFYVCLJGF-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2Cl)c1 ZINC000109224126 571428780 /nfs/dbraw/zinc/42/87/80/571428780.db2.gz WLCDJLHDCMZMBG-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO CN(C)S(=O)(=O)N(Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)c1ccccc1F ZINC000113515976 571439685 /nfs/dbraw/zinc/43/96/85/571439685.db2.gz AOGFSTQINIDBLW-DHZHZOJOSA-N 1 2 536.673 4.110 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cc(Cl)ccc2OC)cc1OC ZINC000140094478 571455057 /nfs/dbraw/zinc/45/50/57/571455057.db2.gz JQUUWOSNXCXWBV-UHFFFAOYSA-N 1 2 571.055 4.063 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)cc2)cc1Br ZINC000140114790 571455127 /nfs/dbraw/zinc/45/51/27/571455127.db2.gz UESJJAJEXWMDRT-UHFFFAOYSA-N 1 2 569.481 4.464 40 0 KIABLO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000140372898 571455815 /nfs/dbraw/zinc/45/58/15/571455815.db2.gz MUBHPCCQRIWSFB-UHFFFAOYSA-N 1 2 562.475 4.262 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2cc(C)cc(C)c2)cc1OC ZINC000140375511 571455801 /nfs/dbraw/zinc/45/58/01/571455801.db2.gz KLXZLAAWBGGNOL-UHFFFAOYSA-N 1 2 534.638 4.018 40 0 KIABLO COc1ncc(-c2ccc3[nH+]c(N)n(-c4ccc(N5CCOCC5)cc4)c3c2)cc1S(=O)(=O)Nc1ccccc1F ZINC000144874408 571456528 /nfs/dbraw/zinc/45/65/28/571456528.db2.gz AJOGHKUZDLYXKS-UHFFFAOYSA-N 1 2 574.638 4.455 40 0 KIABLO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)C(F)(F)C(=O)N[C@H](COCc1cccnc1)C(C)C ZINC000150344557 571459345 /nfs/dbraw/zinc/45/93/45/571459345.db2.gz JUZBHZAPSATRCS-KUFDTJSHSA-N 1 2 781.898 4.333 40 0 KIABLO CC(C)[C@H](COCc1cccnc1)NC(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCC[NH+]2CCOCC2)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000150344559 571459414 /nfs/dbraw/zinc/45/94/14/571459414.db2.gz JUZBHZAPSATRCS-ZTJXOPACSA-N 1 2 781.898 4.333 40 0 KIABLO CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCC[NH+]2CCOCC2)cc1)C(=O)C(F)(F)C(=O)N[C@H](COCc1cccnc1)C(C)C ZINC000150344561 571459358 /nfs/dbraw/zinc/45/93/58/571459358.db2.gz JUZBHZAPSATRCS-LIVOIKKVSA-N 1 2 781.898 4.333 40 0 KIABLO CC(C)[C@H](COCc1cccnc1)NC(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCC[NH+]2CCOCC2)cc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C ZINC000150344563 571459384 /nfs/dbraw/zinc/45/93/84/571459384.db2.gz JUZBHZAPSATRCS-QGBCWPEESA-N 1 2 781.898 4.333 40 0 KIABLO O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000215933829 571588380 /nfs/dbraw/zinc/58/83/80/571588380.db2.gz DIBPQZZUXZQKKM-UHFFFAOYSA-N 1 2 525.428 4.147 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(Cl)cc2)cc1OC ZINC000215974428 571590271 /nfs/dbraw/zinc/59/02/71/571590271.db2.gz OBHYSSLEXWNPRD-UHFFFAOYSA-N 1 2 541.029 4.055 40 0 KIABLO O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000215992015 571591087 /nfs/dbraw/zinc/59/10/87/571591087.db2.gz DKJQNOZINDEQBK-UHFFFAOYSA-N 1 2 525.428 4.147 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2cc(C)cc(C)c2)cc1OC ZINC000216003285 571591496 /nfs/dbraw/zinc/59/14/96/571591496.db2.gz YBRXJBAWFGRUBR-UHFFFAOYSA-N 1 2 534.638 4.018 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000216306464 571594628 /nfs/dbraw/zinc/59/46/28/571594628.db2.gz AZBKAIVCOKDFGB-GOSISDBHSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000216306512 571594623 /nfs/dbraw/zinc/59/46/23/571594623.db2.gz AZBKAIVCOKDFGB-SFHVURJKSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000216432598 571596144 /nfs/dbraw/zinc/59/61/44/571596144.db2.gz YGJRBKRFOMTSEQ-LJQANCHMSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000216432634 571596153 /nfs/dbraw/zinc/59/61/53/571596153.db2.gz YGJRBKRFOMTSEQ-IBGZPJMESA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000216468314 571596670 /nfs/dbraw/zinc/59/66/70/571596670.db2.gz KMPKVULGRWAWFT-LJQANCHMSA-N 1 2 507.443 4.037 40 0 KIABLO O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000216468358 571596656 /nfs/dbraw/zinc/59/66/56/571596656.db2.gz KMPKVULGRWAWFT-IBGZPJMESA-N 1 2 507.443 4.037 40 0 KIABLO CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)cc2)cc1 ZINC000216470492 571596666 /nfs/dbraw/zinc/59/66/66/571596666.db2.gz FWPBYIPCOWXNCS-UHFFFAOYSA-N 1 2 506.653 4.414 40 0 KIABLO CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000216488873 571596830 /nfs/dbraw/zinc/59/68/30/571596830.db2.gz CRVBSCIYYBTGJN-UHFFFAOYSA-N 1 2 506.653 4.414 40 0 KIABLO Cc1cccc(C)c1N(Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000222861783 571406905 /nfs/dbraw/zinc/40/69/05/571406905.db2.gz VLPWQNCYBJDBEH-UHFFFAOYSA-N 1 2 521.683 4.032 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223017448 571422134 /nfs/dbraw/zinc/42/21/34/571422134.db2.gz WBHKBAXOHHOMHM-UMSFTDKQSA-N 1 2 674.795 4.094 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223017508 571422161 /nfs/dbraw/zinc/42/21/61/571422161.db2.gz WBHKBAXOHHOMHM-UUWRZZSWSA-N 1 2 674.795 4.094 40 0 KIABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223099746 571430939 /nfs/dbraw/zinc/43/09/39/571430939.db2.gz AEFGIFANYWLNIR-XIFFEERXSA-N 1 2 667.272 4.146 40 0 KIABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223099812 571430947 /nfs/dbraw/zinc/43/09/47/571430947.db2.gz AEFGIFANYWLNIR-MGBGTMOVSA-N 1 2 667.272 4.146 40 0 KIABLO O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223103766 571431604 /nfs/dbraw/zinc/43/16/04/571431604.db2.gz OBEWAPQNROYSCY-MHZLTWQESA-N 1 2 570.517 4.461 40 0 KIABLO O=C(COc1ccccc1Cl)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223103832 571431585 /nfs/dbraw/zinc/43/15/85/571431585.db2.gz OBEWAPQNROYSCY-HHHXNRCGSA-N 1 2 570.517 4.461 40 0 KIABLO O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc21 ZINC000223128857 571434418 /nfs/dbraw/zinc/43/44/18/571434418.db2.gz VGBPWFROBZWUJM-UHFFFAOYSA-N 1 2 501.652 4.082 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CC[NH+]1CCOCC1 ZINC000223132638 571434674 /nfs/dbraw/zinc/43/46/74/571434674.db2.gz ZBEPEMRJSHNYNY-XZOQPEGZSA-N 1 2 502.471 4.484 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CC[NH+]1CCOCC1 ZINC000223132699 571434667 /nfs/dbraw/zinc/43/46/67/571434667.db2.gz ZBEPEMRJSHNYNY-DHIUTWEWSA-N 1 2 502.471 4.484 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CC[NH+]1CCOCC1 ZINC000223132768 571434698 /nfs/dbraw/zinc/43/46/98/571434698.db2.gz ZBEPEMRJSHNYNY-GOTSBHOMSA-N 1 2 502.471 4.484 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cc2Cl)N1CC[NH+]1CCOCC1 ZINC000223132835 571434648 /nfs/dbraw/zinc/43/46/48/571434648.db2.gz ZBEPEMRJSHNYNY-PKTZIBPZSA-N 1 2 502.471 4.484 40 0 KIABLO O=C(CCc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223141676 571435580 /nfs/dbraw/zinc/43/55/80/571435580.db2.gz HHESFFCSTOLCHL-LJAQVGFWSA-N 1 2 534.100 4.361 40 0 KIABLO O=C(CCc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223141733 571435513 /nfs/dbraw/zinc/43/55/13/571435513.db2.gz HHESFFCSTOLCHL-GDLZYMKVSA-N 1 2 534.100 4.361 40 0 KIABLO FC(F)(F)c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223151158 571436927 /nfs/dbraw/zinc/43/69/27/571436927.db2.gz FBWYUOZOGUQGPE-DHIUTWEWSA-N 1 2 501.578 4.196 40 0 KIABLO FC(F)(F)c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223151220 571436898 /nfs/dbraw/zinc/43/68/98/571436898.db2.gz FBWYUOZOGUQGPE-PKTZIBPZSA-N 1 2 501.578 4.196 40 0 KIABLO FC(F)(F)c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223151280 571436924 /nfs/dbraw/zinc/43/69/24/571436924.db2.gz FBWYUOZOGUQGPE-XZOQPEGZSA-N 1 2 501.578 4.196 40 0 KIABLO FC(F)(F)c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223151347 571436973 /nfs/dbraw/zinc/43/69/73/571436973.db2.gz FBWYUOZOGUQGPE-GOTSBHOMSA-N 1 2 501.578 4.196 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223157238 571437987 /nfs/dbraw/zinc/43/79/87/571437987.db2.gz JHGXVCKDIMAWLA-XZOQPEGZSA-N 1 2 513.461 4.409 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223157293 571437904 /nfs/dbraw/zinc/43/79/04/571437904.db2.gz JHGXVCKDIMAWLA-DHIUTWEWSA-N 1 2 513.461 4.409 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223157352 571437899 /nfs/dbraw/zinc/43/78/99/571437899.db2.gz JHGXVCKDIMAWLA-GOTSBHOMSA-N 1 2 513.461 4.409 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1CC[NH+]1CCOCC1 ZINC000223157413 571437997 /nfs/dbraw/zinc/43/79/97/571437997.db2.gz JHGXVCKDIMAWLA-PKTZIBPZSA-N 1 2 513.461 4.409 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223161861 571438907 /nfs/dbraw/zinc/43/89/07/571438907.db2.gz PWYPHKXPTBLJAJ-UMSFTDKQSA-N 1 2 692.785 4.233 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223161915 571438845 /nfs/dbraw/zinc/43/88/45/571438845.db2.gz PWYPHKXPTBLJAJ-UUWRZZSWSA-N 1 2 692.785 4.233 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1CCC[NH+]1CCOCC1 ZINC000223173244 571440539 /nfs/dbraw/zinc/44/05/39/571440539.db2.gz JIGOPDRSNQOABF-BJKOFHAPSA-N 1 2 504.685 4.177 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1CCC[NH+]1CCOCC1 ZINC000223173297 571440588 /nfs/dbraw/zinc/44/05/88/571440588.db2.gz JIGOPDRSNQOABF-DNQXCXABSA-N 1 2 504.685 4.177 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1CCC[NH+]1CCOCC1 ZINC000223173357 571440648 /nfs/dbraw/zinc/44/06/48/571440648.db2.gz JIGOPDRSNQOABF-ZEQRLZLVSA-N 1 2 504.685 4.177 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1CCC[NH+]1CCOCC1 ZINC000223173420 571440685 /nfs/dbraw/zinc/44/06/85/571440685.db2.gz JIGOPDRSNQOABF-RPWUZVMVSA-N 1 2 504.685 4.177 40 0 KIABLO Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1Cl ZINC000223174782 571440921 /nfs/dbraw/zinc/44/09/21/571440921.db2.gz VMTVGUYHPMMPMT-DNQXCXABSA-N 1 2 500.043 4.360 40 0 KIABLO Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1Cl ZINC000223174848 571440896 /nfs/dbraw/zinc/44/08/96/571440896.db2.gz VMTVGUYHPMMPMT-RPWUZVMVSA-N 1 2 500.043 4.360 40 0 KIABLO Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1Cl ZINC000223174917 571440949 /nfs/dbraw/zinc/44/09/49/571440949.db2.gz VMTVGUYHPMMPMT-BJKOFHAPSA-N 1 2 500.043 4.360 40 0 KIABLO Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1Cl ZINC000223174977 571440931 /nfs/dbraw/zinc/44/09/31/571440931.db2.gz VMTVGUYHPMMPMT-ZEQRLZLVSA-N 1 2 500.043 4.360 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000223195195 571443509 /nfs/dbraw/zinc/44/35/09/571443509.db2.gz DNFPAWUCHKEOOO-BJKOFHAPSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000223195252 571443476 /nfs/dbraw/zinc/44/34/76/571443476.db2.gz DNFPAWUCHKEOOO-DNQXCXABSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000223195308 571443518 /nfs/dbraw/zinc/44/35/18/571443518.db2.gz DNFPAWUCHKEOOO-ZEQRLZLVSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Br)c2)N1CCC[NH+]1CCOCC1 ZINC000223195356 571443446 /nfs/dbraw/zinc/44/34/46/571443446.db2.gz DNFPAWUCHKEOOO-RPWUZVMVSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1CCC[NH+]1CCOCC1 ZINC000223195425 571443513 /nfs/dbraw/zinc/44/35/13/571443513.db2.gz ODTLXLOAWOHQCF-BJKOFHAPSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Br)cc2)N1CCC[NH+]1CCOCC1 ZINC000223195492 571443452 /nfs/dbraw/zinc/44/34/52/571443452.db2.gz ODTLXLOAWOHQCF-DNQXCXABSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Br)cc2)N1CCC[NH+]1CCOCC1 ZINC000223195550 571443561 /nfs/dbraw/zinc/44/35/61/571443561.db2.gz ODTLXLOAWOHQCF-ZEQRLZLVSA-N 1 2 526.504 4.330 40 0 KIABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Br)cc2)N1CCC[NH+]1CCOCC1 ZINC000223195610 571443575 /nfs/dbraw/zinc/44/35/75/571443575.db2.gz ODTLXLOAWOHQCF-RPWUZVMVSA-N 1 2 526.504 4.330 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223216259 571446396 /nfs/dbraw/zinc/44/63/96/571446396.db2.gz WGLKABTWYVCHJO-NDEPHWFRSA-N 1 2 538.063 4.110 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223216325 571446437 /nfs/dbraw/zinc/44/64/37/571446437.db2.gz WGLKABTWYVCHJO-MUUNZHRXSA-N 1 2 538.063 4.110 40 0 KIABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223232275 571448294 /nfs/dbraw/zinc/44/82/94/571448294.db2.gz GLKWUFBWGQEZFG-DHUJRADRSA-N 1 2 704.821 4.102 40 0 KIABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](Cc2ccccc2)C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000223232332 571448328 /nfs/dbraw/zinc/44/83/28/571448328.db2.gz GLKWUFBWGQEZFG-PGUFJCEWSA-N 1 2 704.821 4.102 40 0 KIABLO CCC1(CC)C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c2ccccc2O1 ZINC000223267828 571452742 /nfs/dbraw/zinc/45/27/42/571452742.db2.gz IFPNLKRDEALRKX-JOCHJYFZSA-N 1 2 506.068 4.089 40 0 KIABLO CCC1(CC)C[C@H](NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)c2ccccc2O1 ZINC000223267881 571452748 /nfs/dbraw/zinc/45/27/48/571452748.db2.gz IFPNLKRDEALRKX-QFIPXVFZSA-N 1 2 506.068 4.089 40 0 KIABLO CCC1(CC)C[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c2ccccc2O1 ZINC000223304357 571458112 /nfs/dbraw/zinc/45/81/12/571458112.db2.gz QHPUDSHMKCOUSW-OAQYLSRUSA-N 1 2 506.068 4.089 40 0 KIABLO CCC1(CC)C[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c2ccccc2O1 ZINC000223304406 571458117 /nfs/dbraw/zinc/45/81/17/571458117.db2.gz QHPUDSHMKCOUSW-NRFANRHFSA-N 1 2 506.068 4.089 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223305526 571458289 /nfs/dbraw/zinc/45/82/89/571458289.db2.gz ARRUCZOPWBOTDV-UUWRZZSWSA-N 1 2 660.768 4.224 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223305586 571458327 /nfs/dbraw/zinc/45/83/27/571458327.db2.gz ARRUCZOPWBOTDV-UMSFTDKQSA-N 1 2 660.768 4.224 40 0 KIABLO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C(C)C ZINC000223357852 571465297 /nfs/dbraw/zinc/46/52/97/571465297.db2.gz QSHBFOKRMONXTB-GOSISDBHSA-N 1 2 508.084 4.208 40 0 KIABLO COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C(C)C ZINC000223357908 571465258 /nfs/dbraw/zinc/46/52/58/571465258.db2.gz QSHBFOKRMONXTB-SFHVURJKSA-N 1 2 508.084 4.208 40 0 KIABLO COc1cc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C(C)C ZINC000223358133 571465292 /nfs/dbraw/zinc/46/52/92/571465292.db2.gz VANLJSOCFPHRDM-GOSISDBHSA-N 1 2 508.084 4.208 40 0 KIABLO COc1cc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C(C)C ZINC000223358195 571465338 /nfs/dbraw/zinc/46/53/38/571465338.db2.gz VANLJSOCFPHRDM-SFHVURJKSA-N 1 2 508.084 4.208 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223364000 571465829 /nfs/dbraw/zinc/46/58/29/571465829.db2.gz IAHMRVABHXAYHJ-MUUNZHRXSA-N 1 2 506.046 4.101 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223364047 571465775 /nfs/dbraw/zinc/46/57/75/571465775.db2.gz IAHMRVABHXAYHJ-NDEPHWFRSA-N 1 2 506.046 4.101 40 0 KIABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223387990 571469752 /nfs/dbraw/zinc/46/97/52/571469752.db2.gz QLWQLDFJLWFYCU-MGBGTMOVSA-N 1 2 653.245 4.276 40 0 KIABLO O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223388038 571469782 /nfs/dbraw/zinc/46/97/82/571469782.db2.gz QLWQLDFJLWFYCU-XIFFEERXSA-N 1 2 653.245 4.276 40 0 KIABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1OC ZINC000223395482 571470925 /nfs/dbraw/zinc/47/09/25/571470925.db2.gz AGDSGNLKLQQYDV-SSEXGKCCSA-N 1 2 566.098 4.118 40 0 KIABLO COc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1OC ZINC000223395524 571471000 /nfs/dbraw/zinc/47/10/00/571471000.db2.gz AGDSGNLKLQQYDV-PMERELPUSA-N 1 2 566.098 4.118 40 0 KIABLO O=C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223424031 571474526 /nfs/dbraw/zinc/47/45/26/571474526.db2.gz OATLYHRLEYZHHW-MUUNZHRXSA-N 1 2 506.046 4.101 40 0 KIABLO O=C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223424079 571474582 /nfs/dbraw/zinc/47/45/82/571474582.db2.gz OATLYHRLEYZHHW-NDEPHWFRSA-N 1 2 506.046 4.101 40 0 KIABLO O=C(CCc1ccccc1)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223428485 571475125 /nfs/dbraw/zinc/47/51/25/571475125.db2.gz AGSPQRMVVODGQX-GDLZYMKVSA-N 1 2 520.073 4.491 40 0 KIABLO O=C(CCc1ccccc1)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223428543 571475128 /nfs/dbraw/zinc/47/51/28/571475128.db2.gz AGSPQRMVVODGQX-LJAQVGFWSA-N 1 2 520.073 4.491 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223448584 571478243 /nfs/dbraw/zinc/47/82/43/571478243.db2.gz RGUQKMLARWLTAK-UUWRZZSWSA-N 1 2 678.758 4.363 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223448626 571478252 /nfs/dbraw/zinc/47/82/52/571478252.db2.gz RGUQKMLARWLTAK-UMSFTDKQSA-N 1 2 678.758 4.363 40 0 KIABLO O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223459929 571479974 /nfs/dbraw/zinc/47/99/74/571479974.db2.gz CHZZZVOYOGKTDS-MUUNZHRXSA-N 1 2 540.035 4.076 40 0 KIABLO O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223459981 571479913 /nfs/dbraw/zinc/47/99/13/571479913.db2.gz CHZZZVOYOGKTDS-NDEPHWFRSA-N 1 2 540.035 4.076 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223502097 571488081 /nfs/dbraw/zinc/48/80/81/571488081.db2.gz LKYNMHZXFNDHBW-MUUNZHRXSA-N 1 2 524.036 4.240 40 0 KIABLO O=C(Cc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223502156 571488108 /nfs/dbraw/zinc/48/81/08/571488108.db2.gz LKYNMHZXFNDHBW-NDEPHWFRSA-N 1 2 524.036 4.240 40 0 KIABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223516562 571491852 /nfs/dbraw/zinc/49/18/52/571491852.db2.gz BXGARKLOLHQAMN-PGUFJCEWSA-N 1 2 690.794 4.232 40 0 KIABLO COc1ccc(CN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223516606 571491912 /nfs/dbraw/zinc/49/19/12/571491912.db2.gz BXGARKLOLHQAMN-DHUJRADRSA-N 1 2 690.794 4.232 40 0 KIABLO COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223570443 571504610 /nfs/dbraw/zinc/50/46/10/571504610.db2.gz RVGXHIYLIHWIPK-GDLZYMKVSA-N 1 2 536.072 4.110 40 0 KIABLO COc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C(=O)NCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000223570500 571504691 /nfs/dbraw/zinc/50/46/91/571504691.db2.gz RVGXHIYLIHWIPK-LJAQVGFWSA-N 1 2 536.072 4.110 40 0 KIABLO Cc1ccc(C)c(N(Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224492689 571559335 /nfs/dbraw/zinc/55/93/35/571559335.db2.gz MKITUMTYHWFWBL-UHFFFAOYSA-N 1 2 521.683 4.032 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)c1C ZINC000224557418 571573734 /nfs/dbraw/zinc/57/37/34/571573734.db2.gz IRJQWBSKPFBICR-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)cc1C ZINC000224557496 571573775 /nfs/dbraw/zinc/57/37/75/571573775.db2.gz MKOJWNBTTFNLFF-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)c1 ZINC000224557560 571573906 /nfs/dbraw/zinc/57/39/06/571573906.db2.gz GNUJATLMIGWGRU-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)c1 ZINC000224557626 571574021 /nfs/dbraw/zinc/57/40/21/571574021.db2.gz LPNZZIDVMZHNMJ-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1Cl ZINC000224557766 571573963 /nfs/dbraw/zinc/57/39/63/571573963.db2.gz DJEDQVJOUCBXNQ-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)c1 ZINC000224557830 571573938 /nfs/dbraw/zinc/57/39/38/571573938.db2.gz JCJDTPHFJBNGRN-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2Cl)cc1 ZINC000224557898 571573993 /nfs/dbraw/zinc/57/39/93/571573993.db2.gz SJQSJAAIHSHJLJ-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2)cc1 ZINC000224571079 571577302 /nfs/dbraw/zinc/57/73/02/571577302.db2.gz UBAQMDKEKOEVLK-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c(Cl)c2)cc1 ZINC000224571217 571577223 /nfs/dbraw/zinc/57/72/23/571577223.db2.gz LXHBGIFTOKHOSX-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1OC ZINC000224581033 571579794 /nfs/dbraw/zinc/57/97/94/571579794.db2.gz BXAMQYHWNXTDBO-UHFFFAOYSA-N 1 2 504.583 4.360 40 0 KIABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1cccc(OC)c1 ZINC000224592109 571582151 /nfs/dbraw/zinc/58/21/51/571582151.db2.gz DNBFAYUWZNQXGN-UHFFFAOYSA-N 1 2 504.583 4.360 40 0 KIABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccc(OC)cc1 ZINC000224602836 571584424 /nfs/dbraw/zinc/58/44/24/571584424.db2.gz IXDAALJHDKQPPX-UHFFFAOYSA-N 1 2 504.583 4.360 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)c1C ZINC000224723189 571610686 /nfs/dbraw/zinc/61/06/86/571610686.db2.gz RNSIYXVWQUZJDQ-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)cc1C ZINC000224723259 571610748 /nfs/dbraw/zinc/61/07/48/571610748.db2.gz FIKNFAHCGMUSQN-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)c1 ZINC000224723322 571610826 /nfs/dbraw/zinc/61/08/26/571610826.db2.gz DETIOOVZQKZWTG-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)c1 ZINC000224723394 571610803 /nfs/dbraw/zinc/61/08/03/571610803.db2.gz IARNXYHEKJMNCW-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1Cl ZINC000224723534 571610843 /nfs/dbraw/zinc/61/08/43/571610843.db2.gz VNFUIZZQPVTJFI-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)c1 ZINC000224723600 571610883 /nfs/dbraw/zinc/61/08/83/571610883.db2.gz UIUVXDYIOOHQEW-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2Cl)cc1 ZINC000224723663 571610835 /nfs/dbraw/zinc/61/08/35/571610835.db2.gz DPQDAEKMECUCSB-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)c(C)c1 ZINC000224723983 571610913 /nfs/dbraw/zinc/61/09/13/571610913.db2.gz VPOJDFGJRZSHAY-UHFFFAOYSA-N 1 2 507.656 4.175 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC000224738060 571612579 /nfs/dbraw/zinc/61/25/79/571612579.db2.gz SNFOWRYKSGDQLC-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c(Cl)c2)cc1 ZINC000224738203 571612589 /nfs/dbraw/zinc/61/25/89/571612589.db2.gz HBMJPJBISFOTCV-UHFFFAOYSA-N 1 2 514.047 4.211 40 0 KIABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224764560 571615060 /nfs/dbraw/zinc/61/50/60/571615060.db2.gz RXVIKSRYIDMRAN-RMKNXTFCSA-N 1 2 537.657 4.272 40 0 KIABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224786212 571617029 /nfs/dbraw/zinc/61/70/29/571617029.db2.gz LHPDRDBVSXHQOZ-JXMROGBWSA-N 1 2 533.694 4.296 40 0 KIABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224819036 571620084 /nfs/dbraw/zinc/62/00/84/571620084.db2.gz CRXQRRVEBVXGEY-JLHYYAGUSA-N 1 2 533.694 4.377 40 0 KIABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224838024 571622024 /nfs/dbraw/zinc/62/20/24/571622024.db2.gz KVXHDNDNPCCTJQ-UHFFFAOYSA-N 1 2 586.110 4.246 40 0 KIABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225402321 571771960 /nfs/dbraw/zinc/77/19/60/571771960.db2.gz FVCXTRSKCMNQMT-CLJLJLNGSA-N 1 2 532.695 4.487 40 0 KIABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225402784 571772157 /nfs/dbraw/zinc/77/21/57/571772157.db2.gz FVCXTRSKCMNQMT-FTJBHMTQSA-N 1 2 532.695 4.487 40 0 KIABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225402832 571772120 /nfs/dbraw/zinc/77/21/20/571772120.db2.gz FVCXTRSKCMNQMT-IZZNHLLZSA-N 1 2 532.695 4.487 40 0 KIABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000225402875 571772226 /nfs/dbraw/zinc/77/22/26/571772226.db2.gz FVCXTRSKCMNQMT-UIOOFZCWSA-N 1 2 532.695 4.487 40 0 KIABLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225433274 571800380 /nfs/dbraw/zinc/80/03/80/571800380.db2.gz JPGLHXPNWFLZNV-SVBPBHIXSA-N 1 2 562.721 4.496 40 0 KIABLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225433316 571800422 /nfs/dbraw/zinc/80/04/22/571800422.db2.gz JPGLHXPNWFLZNV-SXOMAYOGSA-N 1 2 562.721 4.496 40 0 KIABLO COc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225433357 571800169 /nfs/dbraw/zinc/80/01/69/571800169.db2.gz JPGLHXPNWFLZNV-RRPNLBNLSA-N 1 2 562.721 4.496 40 0 KIABLO COc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1NS(C)(=O)=O ZINC000225433398 571800215 /nfs/dbraw/zinc/80/02/15/571800215.db2.gz JPGLHXPNWFLZNV-KAYWLYCHSA-N 1 2 562.721 4.496 40 0 KIABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NS(C)(=O)=O ZINC000225486031 571856477 /nfs/dbraw/zinc/85/64/77/571856477.db2.gz XGTHSMNDUWNRMO-SVBPBHIXSA-N 1 2 562.721 4.496 40 0 KIABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NS(C)(=O)=O ZINC000225486063 571856428 /nfs/dbraw/zinc/85/64/28/571856428.db2.gz XGTHSMNDUWNRMO-SXOMAYOGSA-N 1 2 562.721 4.496 40 0 KIABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NS(C)(=O)=O ZINC000225486101 571856500 /nfs/dbraw/zinc/85/65/00/571856500.db2.gz XGTHSMNDUWNRMO-RRPNLBNLSA-N 1 2 562.721 4.496 40 0 KIABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1NS(C)(=O)=O ZINC000225486137 571856609 /nfs/dbraw/zinc/85/66/09/571856609.db2.gz XGTHSMNDUWNRMO-KAYWLYCHSA-N 1 2 562.721 4.496 40 0 KIABLO Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225780295 572066939 /nfs/dbraw/zinc/06/69/39/572066939.db2.gz IBXVWPPRBKVHQZ-UHFFFAOYSA-N 1 2 514.047 4.416 40 0 KIABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225785311 572067511 /nfs/dbraw/zinc/06/75/11/572067511.db2.gz XZAYAVSQYPGWKD-UHFFFAOYSA-N 1 2 514.072 4.271 40 0 KIABLO O=c1sc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225789280 572068660 /nfs/dbraw/zinc/06/86/60/572068660.db2.gz MRVFUAGCOYRNFM-UHFFFAOYSA-N 1 2 511.028 4.429 40 0 KIABLO O=c1sc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2n1Cc1ccc(Cl)cc1 ZINC000225794220 572070053 /nfs/dbraw/zinc/07/00/53/572070053.db2.gz QMDAAVYGPSSFMY-UHFFFAOYSA-N 1 2 544.098 4.075 40 0 KIABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1Cc1ccccc1Cl ZINC000225799244 572070606 /nfs/dbraw/zinc/07/06/06/572070606.db2.gz XRRQWFVQGCZLIG-UHFFFAOYSA-N 1 2 514.072 4.271 40 0 KIABLO O=c1sc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2n1Cc1ccccc1Cl ZINC000225802940 572071462 /nfs/dbraw/zinc/07/14/62/572071462.db2.gz QQHMCPYVGSIQKX-UHFFFAOYSA-N 1 2 511.028 4.429 40 0 KIABLO O=c1sc2cc(S(=O)(=O)NCc3ccccc3C[NH+]3CCOCC3)ccc2n1Cc1ccccc1Cl ZINC000225807439 572073174 /nfs/dbraw/zinc/07/31/74/572073174.db2.gz LMKGKJBJDKIPAF-UHFFFAOYSA-N 1 2 544.098 4.075 40 0 KIABLO O=C(CCc1nc(-c2ccc(I)cc2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225840465 572075163 /nfs/dbraw/zinc/07/51/63/572075163.db2.gz ZBLPLDUEOHIERX-QPJJXVBHSA-N 1 2 528.394 4.131 40 0 KIABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000253395693 572283878 /nfs/dbraw/zinc/28/38/78/572283878.db2.gz CDPVIYPACBSOIL-WFKKSYCUSA-N 1 2 639.671 4.386 40 0 KIABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]12 ZINC000253395693 572283877 /nfs/dbraw/zinc/28/38/77/572283877.db2.gz CDPVIYPACBSOIL-WFKKSYCUSA-N 1 2 639.671 4.386 40 0 KIABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253396629 572284170 /nfs/dbraw/zinc/28/41/70/572284170.db2.gz DYLLZVMDHYYOTI-DXLYGPJMSA-N 1 2 611.183 4.034 40 0 KIABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccc(Cl)c4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253396629 572284169 /nfs/dbraw/zinc/28/41/69/572284169.db2.gz DYLLZVMDHYYOTI-DXLYGPJMSA-N 1 2 611.183 4.034 40 0 KIABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399025 572284662 /nfs/dbraw/zinc/28/46/62/572284662.db2.gz HYSXRXPBDNEJPQ-USCUKXROSA-N 1 2 660.734 4.279 40 0 KIABLO CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253399025 572284660 /nfs/dbraw/zinc/28/46/60/572284660.db2.gz HYSXRXPBDNEJPQ-USCUKXROSA-N 1 2 660.734 4.279 40 0 KIABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2cccc(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253400786 572285177 /nfs/dbraw/zinc/28/51/77/572285177.db2.gz LWOJONKTDRJIOC-QNVWVOQGSA-N 1 2 641.108 4.062 40 0 KIABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2cccc(Cl)c2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253400786 572285176 /nfs/dbraw/zinc/28/51/76/572285176.db2.gz LWOJONKTDRJIOC-QNVWVOQGSA-N 1 2 641.108 4.062 40 0 KIABLO COc1ccc(C[N@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC(C)C)C(=O)C2)cc1 ZINC000253401616 572285299 /nfs/dbraw/zinc/28/52/99/572285299.db2.gz NJXVPLDYDUVNSH-MRYUYYKNSA-N 1 2 505.659 4.025 40 0 KIABLO COc1ccc(C[N@@H+]2Cc3ccccc3OC/C=C\[C@H]3CN(CC[C@H]3CC(=O)NC(C)C)C(=O)C2)cc1 ZINC000253401616 572285298 /nfs/dbraw/zinc/28/52/98/572285298.db2.gz NJXVPLDYDUVNSH-MRYUYYKNSA-N 1 2 505.659 4.025 40 0 KIABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253402615 572285583 /nfs/dbraw/zinc/28/55/83/572285583.db2.gz OMDBOGJJVCIBKY-YQOCYVMFSA-N 1 2 590.120 4.141 40 0 KIABLO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2cc(-c3ccccc3)ccc2C(=O)N2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]12 ZINC000253402615 572285582 /nfs/dbraw/zinc/28/55/82/572285582.db2.gz OMDBOGJJVCIBKY-YQOCYVMFSA-N 1 2 590.120 4.141 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)CC2=O ZINC000253404649 572286061 /nfs/dbraw/zinc/28/60/61/572286061.db2.gz RHJGYEFXYUCFGU-DBFYEMIUSA-N 1 2 507.650 4.500 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccc(F)cc1)CC2=O ZINC000253404649 572286060 /nfs/dbraw/zinc/28/60/60/572286060.db2.gz RHJGYEFXYUCFGU-DBFYEMIUSA-N 1 2 507.650 4.500 40 0 KIABLO O=S1(=O)NC[C@H](O)C[N@@H+](Cc2cc(-c3ccccc3)no2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253405187 572286074 /nfs/dbraw/zinc/28/60/74/572286074.db2.gz RZEJOXIDYLLWOH-QOGTZHJZSA-N 1 2 673.710 4.063 40 0 KIABLO O=S1(=O)NC[C@H](O)C[N@H+](Cc2cc(-c3ccccc3)no2)C[C@]2(C[C@@H](O)[C@@H](O)C2)COc2cc(-c3cccc(C(F)(F)F)c3)ccc21 ZINC000253405187 572286073 /nfs/dbraw/zinc/28/60/73/572286073.db2.gz RZEJOXIDYLLWOH-QOGTZHJZSA-N 1 2 673.710 4.063 40 0 KIABLO CC(C)(C)CC(=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 ZINC000253405453 572286196 /nfs/dbraw/zinc/28/61/96/572286196.db2.gz SKQSDJYRAWCWBR-DXLYGPJMSA-N 1 2 644.735 4.399 40 0 KIABLO CC(C)(C)CC(=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 ZINC000253405453 572286195 /nfs/dbraw/zinc/28/61/95/572286195.db2.gz SKQSDJYRAWCWBR-DXLYGPJMSA-N 1 2 644.735 4.399 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccc(OC)cc1)CC2=O ZINC000253407294 572286589 /nfs/dbraw/zinc/28/65/89/572286589.db2.gz VVBBLMHEVBMALY-NJLUEJFGSA-N 1 2 519.686 4.369 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccc(OC)cc1)CC2=O ZINC000253407294 572286587 /nfs/dbraw/zinc/28/65/87/572286587.db2.gz VVBBLMHEVBMALY-NJLUEJFGSA-N 1 2 519.686 4.369 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1cccc(OC)c1)CC2=O ZINC000253408968 572287028 /nfs/dbraw/zinc/28/70/28/572287028.db2.gz ZDVKXYHSBQHGFM-QZFNQKAQSA-N 1 2 519.686 4.369 40 0 KIABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1cccc(OC)c1)CC2=O ZINC000253408968 572287027 /nfs/dbraw/zinc/28/70/27/572287027.db2.gz ZDVKXYHSBQHGFM-QZFNQKAQSA-N 1 2 519.686 4.369 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500304 572294118 /nfs/dbraw/zinc/29/41/18/572294118.db2.gz BFNYWBXDDLRQNE-ILBGXUMGSA-N 1 2 506.582 4.255 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500304 572294116 /nfs/dbraw/zinc/29/41/16/572294116.db2.gz BFNYWBXDDLRQNE-ILBGXUMGSA-N 1 2 506.582 4.255 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500305 572294108 /nfs/dbraw/zinc/29/41/08/572294108.db2.gz BFNYWBXDDLRQNE-NOZRDPDXSA-N 1 2 506.582 4.255 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500305 572294106 /nfs/dbraw/zinc/29/41/06/572294106.db2.gz BFNYWBXDDLRQNE-NOZRDPDXSA-N 1 2 506.582 4.255 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500314 572294347 /nfs/dbraw/zinc/29/43/47/572294347.db2.gz BKQPQTZTWDVEEG-FYYLOGMGSA-N 1 2 508.623 4.336 40 0 KIABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500314 572294346 /nfs/dbraw/zinc/29/43/46/572294346.db2.gz BKQPQTZTWDVEEG-FYYLOGMGSA-N 1 2 508.623 4.336 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500315 572294374 /nfs/dbraw/zinc/29/43/74/572294374.db2.gz BKQPQTZTWDVEEG-GGAORHGYSA-N 1 2 508.623 4.336 40 0 KIABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500315 572294373 /nfs/dbraw/zinc/29/43/73/572294373.db2.gz BKQPQTZTWDVEEG-GGAORHGYSA-N 1 2 508.623 4.336 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500383 572294303 /nfs/dbraw/zinc/29/43/03/572294303.db2.gz JAFDDMIHNQKLLL-AOYPEHQESA-N 1 2 502.619 4.311 40 0 KIABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500383 572294301 /nfs/dbraw/zinc/29/43/01/572294301.db2.gz JAFDDMIHNQKLLL-AOYPEHQESA-N 1 2 502.619 4.311 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500386 572294203 /nfs/dbraw/zinc/29/42/03/572294203.db2.gz JAFDDMIHNQKLLL-RSXGOPAZSA-N 1 2 502.619 4.311 40 0 KIABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500386 572294201 /nfs/dbraw/zinc/29/42/01/572294201.db2.gz JAFDDMIHNQKLLL-RSXGOPAZSA-N 1 2 502.619 4.311 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500448 572294327 /nfs/dbraw/zinc/29/43/27/572294327.db2.gz ORCCYNSYTWTSNL-AOYPEHQESA-N 1 2 502.619 4.425 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500448 572294326 /nfs/dbraw/zinc/29/43/26/572294326.db2.gz ORCCYNSYTWTSNL-AOYPEHQESA-N 1 2 502.619 4.425 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500449 572294371 /nfs/dbraw/zinc/29/43/71/572294371.db2.gz ORCCYNSYTWTSNL-RSXGOPAZSA-N 1 2 502.619 4.425 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500449 572294370 /nfs/dbraw/zinc/29/43/70/572294370.db2.gz ORCCYNSYTWTSNL-RSXGOPAZSA-N 1 2 502.619 4.425 40 0 KIABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500485 572294365 /nfs/dbraw/zinc/29/43/65/572294365.db2.gz QIQXXHAQPHCYGR-KCWPFWIISA-N 1 2 530.629 4.125 40 0 KIABLO CC(C)[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500485 572294364 /nfs/dbraw/zinc/29/43/64/572294364.db2.gz QIQXXHAQPHCYGR-KCWPFWIISA-N 1 2 530.629 4.125 40 0 KIABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500486 572294309 /nfs/dbraw/zinc/29/43/09/572294309.db2.gz QIQXXHAQPHCYGR-YIXXDRMTSA-N 1 2 530.629 4.125 40 0 KIABLO CC(C)[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500486 572294307 /nfs/dbraw/zinc/29/43/07/572294307.db2.gz QIQXXHAQPHCYGR-YIXXDRMTSA-N 1 2 530.629 4.125 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500494 572294359 /nfs/dbraw/zinc/29/43/59/572294359.db2.gz RETGPZFQOQDLKM-ISKFKSNPSA-N 1 2 536.608 4.264 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500494 572294358 /nfs/dbraw/zinc/29/43/58/572294358.db2.gz RETGPZFQOQDLKM-ISKFKSNPSA-N 1 2 536.608 4.264 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500495 572294356 /nfs/dbraw/zinc/29/43/56/572294356.db2.gz RETGPZFQOQDLKM-VWNXMTODSA-N 1 2 536.608 4.264 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500495 572294355 /nfs/dbraw/zinc/29/43/55/572294355.db2.gz RETGPZFQOQDLKM-VWNXMTODSA-N 1 2 536.608 4.264 40 0 KIABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500499 572294267 /nfs/dbraw/zinc/29/42/67/572294267.db2.gz RVOUWKXISDSVDB-FYYLOGMGSA-N 1 2 508.623 4.336 40 0 KIABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500499 572294265 /nfs/dbraw/zinc/29/42/65/572294265.db2.gz RVOUWKXISDSVDB-FYYLOGMGSA-N 1 2 508.623 4.336 40 0 KIABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500500 572294245 /nfs/dbraw/zinc/29/42/45/572294245.db2.gz RVOUWKXISDSVDB-GGAORHGYSA-N 1 2 508.623 4.336 40 0 KIABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253500500 572294243 /nfs/dbraw/zinc/29/42/43/572294243.db2.gz RVOUWKXISDSVDB-GGAORHGYSA-N 1 2 508.623 4.336 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616901 572301442 /nfs/dbraw/zinc/30/14/42/572301442.db2.gz ARWGUFSXPXMPHG-ISKFKSNPSA-N 1 2 534.592 4.018 40 0 KIABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616901 572301441 /nfs/dbraw/zinc/30/14/41/572301441.db2.gz ARWGUFSXPXMPHG-ISKFKSNPSA-N 1 2 534.592 4.018 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616902 572301486 /nfs/dbraw/zinc/30/14/86/572301486.db2.gz ARWGUFSXPXMPHG-VWNXMTODSA-N 1 2 534.592 4.018 40 0 KIABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616902 572301484 /nfs/dbraw/zinc/30/14/84/572301484.db2.gz ARWGUFSXPXMPHG-VWNXMTODSA-N 1 2 534.592 4.018 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccccc1OC(F)F)CC2 ZINC000257202063 572306517 /nfs/dbraw/zinc/30/65/17/572306517.db2.gz AKHPYNMNJQVZNX-UHFFFAOYSA-N 1 2 521.630 4.323 40 0 KIABLO CCn1c(=O)oc2cc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)ccc21 ZINC000257202382 572306534 /nfs/dbraw/zinc/30/65/34/572306534.db2.gz ALMUXUUIRLUIHQ-UHFFFAOYSA-N 1 2 561.104 4.162 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4cccc(F)c4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257204214 572306704 /nfs/dbraw/zinc/30/67/04/572306704.db2.gz ATOJBDIJPTXTSV-FIPFOOKPSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4cccc(F)c4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257204214 572306703 /nfs/dbraw/zinc/30/67/03/572306703.db2.gz ATOJBDIJPTXTSV-FIPFOOKPSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4cccc(F)c4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257204215 572306730 /nfs/dbraw/zinc/30/67/30/572306730.db2.gz ATOJBDIJPTXTSV-NEKDWFFYSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4cccc(F)c4C)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257204215 572306729 /nfs/dbraw/zinc/30/67/29/572306729.db2.gz ATOJBDIJPTXTSV-NEKDWFFYSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257207143 572306988 /nfs/dbraw/zinc/30/69/88/572306988.db2.gz BGNDLAUDTWFQCD-HVNZXBJASA-N 1 2 577.772 4.211 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257207143 572306986 /nfs/dbraw/zinc/30/69/86/572306986.db2.gz BGNDLAUDTWFQCD-HVNZXBJASA-N 1 2 577.772 4.211 40 0 KIABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257209906 572307231 /nfs/dbraw/zinc/30/72/31/572307231.db2.gz BSJBGIANCYGGPR-UHFFFAOYSA-N 1 2 602.823 4.145 40 0 KIABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cc(C)c1Cl ZINC000257210959 572307361 /nfs/dbraw/zinc/30/73/61/572307361.db2.gz BWWRRVCELUFLIF-HKBQPEDESA-N 1 2 567.130 4.225 40 0 KIABLO Cc1cc(OC[C@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cc(C)c1Cl ZINC000257210959 572307360 /nfs/dbraw/zinc/30/73/60/572307360.db2.gz BWWRRVCELUFLIF-HKBQPEDESA-N 1 2 567.130 4.225 40 0 KIABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cc(C)c1Cl ZINC000257210960 572307335 /nfs/dbraw/zinc/30/73/35/572307335.db2.gz BWWRRVCELUFLIF-WJOKGBTCSA-N 1 2 567.130 4.225 40 0 KIABLO Cc1cc(OC[C@@]2(CC(=O)N3CCC(O)CC3)C[N@H+](Cc3cnn(Cc4ccccc4)c3)CCO2)cc(C)c1Cl ZINC000257210960 572307334 /nfs/dbraw/zinc/30/73/34/572307334.db2.gz BWWRRVCELUFLIF-WJOKGBTCSA-N 1 2 567.130 4.225 40 0 KIABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)nc1-c1ccc(F)cc1 ZINC000257213244 572307632 /nfs/dbraw/zinc/30/76/32/572307632.db2.gz CGTDTFHHULJYOL-UHFFFAOYSA-N 1 2 508.685 4.112 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216186 572307895 /nfs/dbraw/zinc/30/78/95/572307895.db2.gz CTMKQBHGTWEFKZ-CUBQBAPOSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216186 572307894 /nfs/dbraw/zinc/30/78/94/572307894.db2.gz CTMKQBHGTWEFKZ-CUBQBAPOSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216187 572307870 /nfs/dbraw/zinc/30/78/70/572307870.db2.gz CTMKQBHGTWEFKZ-RBJSKKJNSA-N 1 2 531.694 4.351 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc(C)c(F)c4)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257216187 572307869 /nfs/dbraw/zinc/30/78/69/572307869.db2.gz CTMKQBHGTWEFKZ-RBJSKKJNSA-N 1 2 531.694 4.351 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)CC2 ZINC000257222083 572308471 /nfs/dbraw/zinc/30/84/71/572308471.db2.gz DRVCUXSVHLRREK-UHFFFAOYSA-N 1 2 623.241 4.409 40 0 KIABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257225247 572308798 /nfs/dbraw/zinc/30/87/98/572308798.db2.gz FFLAUQYTHZFWQL-UHFFFAOYSA-N 1 2 602.823 4.145 40 0 KIABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)CCC1(C)C ZINC000257226959 572308893 /nfs/dbraw/zinc/30/88/93/572308893.db2.gz FMZJRMHCPCDRAI-UHFFFAOYSA-N 1 2 514.530 4.330 40 0 KIABLO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](Cc2ccccc2)CO3)cc1Cl ZINC000257229393 572309018 /nfs/dbraw/zinc/30/90/18/572309018.db2.gz FXXQWPICYVQOEN-QCDSWUKFSA-N 1 2 584.138 4.372 40 0 KIABLO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H](Cc2ccccc2)CO3)cc1Cl ZINC000257229393 572309017 /nfs/dbraw/zinc/30/90/17/572309017.db2.gz FXXQWPICYVQOEN-QCDSWUKFSA-N 1 2 584.138 4.372 40 0 KIABLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)CC(C)C)C3)cc1Cl ZINC000257230285 572309152 /nfs/dbraw/zinc/30/91/52/572309152.db2.gz GBOYMODSZXQRAJ-UHFFFAOYSA-N 1 2 500.105 4.230 40 0 KIABLO Cc1nc2cc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)ccc2n1C ZINC000257231748 572309304 /nfs/dbraw/zinc/30/93/04/572309304.db2.gz GIANINFQRBVKDL-MUUNZHRXSA-N 1 2 601.773 4.296 40 0 KIABLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1 ZINC000257235330 572309727 /nfs/dbraw/zinc/30/97/27/572309727.db2.gz GXIWIIBAQJMDPR-ABYGYWHVSA-N 1 2 527.731 4.466 40 0 KIABLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1 ZINC000257235330 572309725 /nfs/dbraw/zinc/30/97/25/572309725.db2.gz GXIWIIBAQJMDPR-ABYGYWHVSA-N 1 2 527.731 4.466 40 0 KIABLO CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1 ZINC000257235331 572309797 /nfs/dbraw/zinc/30/97/97/572309797.db2.gz GXIWIIBAQJMDPR-SVEHJYQDSA-N 1 2 527.731 4.466 40 0 KIABLO CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]2(CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO2)C1 ZINC000257235331 572309796 /nfs/dbraw/zinc/30/97/96/572309796.db2.gz GXIWIIBAQJMDPR-SVEHJYQDSA-N 1 2 527.731 4.466 40 0 KIABLO CC(=O)Nc1ccc2nc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)CC(C)C)C4)sc2c1 ZINC000257236209 572309836 /nfs/dbraw/zinc/30/98/36/572309836.db2.gz HBFASGANDWKATD-UHFFFAOYSA-N 1 2 549.763 4.136 40 0 KIABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ccccc3OC(F)F)CC2)C1 ZINC000257241215 572310269 /nfs/dbraw/zinc/31/02/69/572310269.db2.gz HXEFXJATKWWQSQ-UHFFFAOYSA-N 1 2 501.640 4.026 40 0 KIABLO COc1cc2c(cc1NC(=O)C[NH+]1CCC3(CC1)CCC(C)(C)N(S(C)(=O)=O)C3)oc1ccccc12 ZINC000257243631 572310478 /nfs/dbraw/zinc/31/04/78/572310478.db2.gz IHVSSLAZZGKQMM-UHFFFAOYSA-N 1 2 513.660 4.449 40 0 KIABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc4c(c3)OCCCO4)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257249373 572310916 /nfs/dbraw/zinc/31/09/16/572310916.db2.gz JHYYKBBHBKTNFS-UHFFFAOYSA-N 1 2 545.677 4.271 40 0 KIABLO Cc1nc2cc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)c5cccc(Cl)c5)C(C)(C)C4)CC3)ccc2n1C ZINC000257253970 572311460 /nfs/dbraw/zinc/31/14/60/572311460.db2.gz KBAXJOVYDSLPIJ-UHFFFAOYSA-N 1 2 544.121 4.429 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000257257689 572311824 /nfs/dbraw/zinc/31/18/24/572311824.db2.gz KQSJCCWHBKUCTJ-UHFFFAOYSA-N 1 2 534.520 4.484 40 0 KIABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)sc2c1 ZINC000257259624 572311909 /nfs/dbraw/zinc/31/19/09/572311909.db2.gz KZFDVLHNAOZICC-JYFHCDHNSA-N 1 2 514.623 4.263 40 0 KIABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)sc2c1 ZINC000257259624 572311908 /nfs/dbraw/zinc/31/19/08/572311908.db2.gz KZFDVLHNAOZICC-JYFHCDHNSA-N 1 2 514.623 4.263 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1cccc(S(=O)(=O)N3CCCCC3)c1)CC2 ZINC000257264325 572312467 /nfs/dbraw/zinc/31/24/67/572312467.db2.gz LTXLIBOPQHYGIU-UHFFFAOYSA-N 1 2 623.241 4.409 40 0 KIABLO CCn1c2ccc(NC(=O)C[NH+]3CCC4(CC3)CN(S(=O)(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)CO4)cc2oc1=O ZINC000257269710 572312854 /nfs/dbraw/zinc/31/28/54/572312854.db2.gz MRBAHPZEWBOOEG-HHHXNRCGSA-N 1 2 618.756 4.028 40 0 KIABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257273108 572313177 /nfs/dbraw/zinc/31/31/77/572313177.db2.gz NFHUNUXORKDGGE-UHFFFAOYSA-N 1 2 620.813 4.284 40 0 KIABLO C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)cc2)CC1 ZINC000257274252 572313244 /nfs/dbraw/zinc/31/32/44/572313244.db2.gz NKEXOPDMACFPGL-UHFFFAOYSA-N 1 2 510.019 4.072 40 0 KIABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CN1S(=O)(=O)c1cccc(F)c1 ZINC000257277898 572313692 /nfs/dbraw/zinc/31/36/92/572313692.db2.gz NZYRPSHRKHWCME-UHFFFAOYSA-N 1 2 620.813 4.284 40 0 KIABLO Cc1[nH+]c2cc(NC(=O)CN3CCC[C@]4(C3)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO4)ccc2n1C ZINC000257283667 572314196 /nfs/dbraw/zinc/31/41/96/572314196.db2.gz OZHIAFAXWIFTQL-QCDSWUKFSA-N 1 2 567.756 4.099 40 0 KIABLO Cc1[nH+]c2cc(NC(=O)CN3CCC[C@@]4(C3)CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](CC(C)C)CO4)ccc2n1C ZINC000257283668 572314240 /nfs/dbraw/zinc/31/42/40/572314240.db2.gz OZHIAFAXWIFTQL-SETSBSEESA-N 1 2 567.756 4.099 40 0 KIABLO CC(=O)Nc1ccc2nc(NC(=O)C[NH+]3CCC4(CN(S(=O)(=O)Cc5ccccc5)C(C)(C)C4)CC3)sc2c1 ZINC000257285557 572314461 /nfs/dbraw/zinc/31/44/61/572314461.db2.gz PHSHXQBYPJACNR-UHFFFAOYSA-N 1 2 569.753 4.290 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@@H+](CC(=O)Nc4ccc(OC(F)F)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257286773 572314669 /nfs/dbraw/zinc/31/46/69/572314669.db2.gz PMZRJUCVQPOJBF-QCDSWUKFSA-N 1 2 585.673 4.312 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CC[N@H+](CC(=O)Nc4ccc(OC(F)F)cc4)C3)OC[C@@H]2Cc2ccccc2)cc1 ZINC000257286773 572314668 /nfs/dbraw/zinc/31/46/68/572314668.db2.gz PMZRJUCVQPOJBF-QCDSWUKFSA-N 1 2 585.673 4.312 40 0 KIABLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257287702 572314657 /nfs/dbraw/zinc/31/46/57/572314657.db2.gz PRDGBCVFUISTSU-LBNVMWSVSA-N 1 2 513.704 4.212 40 0 KIABLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257287702 572314656 /nfs/dbraw/zinc/31/46/56/572314656.db2.gz PRDGBCVFUISTSU-LBNVMWSVSA-N 1 2 513.704 4.212 40 0 KIABLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257287703 572314562 /nfs/dbraw/zinc/31/45/62/572314562.db2.gz PRDGBCVFUISTSU-LSYYVWMOSA-N 1 2 513.704 4.212 40 0 KIABLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](CC(C)C)CO3)C2)cc1 ZINC000257287703 572314560 /nfs/dbraw/zinc/31/45/60/572314560.db2.gz PRDGBCVFUISTSU-LSYYVWMOSA-N 1 2 513.704 4.212 40 0 KIABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000257288290 572314756 /nfs/dbraw/zinc/31/47/56/572314756.db2.gz PTPUPDYXGMPKMW-UHFFFAOYSA-N 1 2 514.530 4.188 40 0 KIABLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](Cc4ccccc4)CO3)C2)cc1 ZINC000257290970 572315065 /nfs/dbraw/zinc/31/50/65/572315065.db2.gz QFBGWWMCSFYFSW-IZEXYCQBSA-N 1 2 547.721 4.409 40 0 KIABLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](Cc4ccccc4)CO3)C2)cc1 ZINC000257290970 572315063 /nfs/dbraw/zinc/31/50/63/572315063.db2.gz QFBGWWMCSFYFSW-IZEXYCQBSA-N 1 2 547.721 4.409 40 0 KIABLO Cc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](Cc4ccccc4)CO3)C2)cc1 ZINC000257290971 572314979 /nfs/dbraw/zinc/31/49/79/572314979.db2.gz QFBGWWMCSFYFSW-QCENPCRXSA-N 1 2 547.721 4.409 40 0 KIABLO Cc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](Cc4ccccc4)CO3)C2)cc1 ZINC000257290971 572314978 /nfs/dbraw/zinc/31/49/78/572314978.db2.gz QFBGWWMCSFYFSW-QCENPCRXSA-N 1 2 547.721 4.409 40 0 KIABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1Oc1ccccc1 ZINC000257293193 572315166 /nfs/dbraw/zinc/31/51/66/572315166.db2.gz QOMSLJHLHJTFLA-YTMVLYRLSA-N 1 2 543.730 4.264 40 0 KIABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)C[C@@H]1Oc1ccccc1 ZINC000257293193 572315164 /nfs/dbraw/zinc/31/51/64/572315164.db2.gz QOMSLJHLHJTFLA-YTMVLYRLSA-N 1 2 543.730 4.264 40 0 KIABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCO1)N1CCOCC1 ZINC000257293813 572315276 /nfs/dbraw/zinc/31/52/76/572315276.db2.gz QRHFVROSVRNJHH-DEOSSOPVSA-N 1 2 528.955 4.138 40 0 KIABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(OC(F)(F)F)c2)CCO1)N1CCOCC1 ZINC000257293813 572315275 /nfs/dbraw/zinc/31/52/75/572315275.db2.gz QRHFVROSVRNJHH-DEOSSOPVSA-N 1 2 528.955 4.138 40 0 KIABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CCO1)N1CCOCC1 ZINC000257293814 572315269 /nfs/dbraw/zinc/31/52/69/572315269.db2.gz QRHFVROSVRNJHH-XMMPIXPASA-N 1 2 528.955 4.138 40 0 KIABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(OC(F)(F)F)c2)CCO1)N1CCOCC1 ZINC000257293814 572315268 /nfs/dbraw/zinc/31/52/68/572315268.db2.gz QRHFVROSVRNJHH-XMMPIXPASA-N 1 2 528.955 4.138 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)c1cccc(Cl)c1)CC[NH+](CC(=O)Nc1ccc3c(c1)OCCCO3)CC2 ZINC000257296884 572315452 /nfs/dbraw/zinc/31/54/52/572315452.db2.gz REUWDNAUXCTLOB-UHFFFAOYSA-N 1 2 548.105 4.395 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257297658 572315604 /nfs/dbraw/zinc/31/56/04/572315604.db2.gz RIIPUBBAIMTVSI-OUTSHDOLSA-N 1 2 557.782 4.404 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257297658 572315603 /nfs/dbraw/zinc/31/56/03/572315603.db2.gz RIIPUBBAIMTVSI-OUTSHDOLSA-N 1 2 557.782 4.404 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257297659 572315640 /nfs/dbraw/zinc/31/56/40/572315640.db2.gz RIIPUBBAIMTVSI-PWUYWRBVSA-N 1 2 557.782 4.404 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)N4CCSc5ccccc54)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257297659 572315639 /nfs/dbraw/zinc/31/56/39/572315639.db2.gz RIIPUBBAIMTVSI-PWUYWRBVSA-N 1 2 557.782 4.404 40 0 KIABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@]4(CCCN4C(=O)OCc4ccccc4)[C@@H](O)C3)n2)cc1 ZINC000257305784 572316434 /nfs/dbraw/zinc/31/64/34/572316434.db2.gz SRMMXIGGCYUMEV-CUBQBAPOSA-N 1 2 520.655 4.295 40 0 KIABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@]4(CCCN4C(=O)OCc4ccccc4)[C@@H](O)C3)n2)cc1 ZINC000257305784 572316433 /nfs/dbraw/zinc/31/64/33/572316433.db2.gz SRMMXIGGCYUMEV-CUBQBAPOSA-N 1 2 520.655 4.295 40 0 KIABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257307482 572316656 /nfs/dbraw/zinc/31/66/56/572316656.db2.gz SYUYDWDYMGATBI-YTMVLYRLSA-N 1 2 543.730 4.264 40 0 KIABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257307482 572316655 /nfs/dbraw/zinc/31/66/55/572316655.db2.gz SYUYDWDYMGATBI-YTMVLYRLSA-N 1 2 543.730 4.264 40 0 KIABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257309014 572316759 /nfs/dbraw/zinc/31/67/59/572316759.db2.gz TZEPEOJFKUDRDN-OFVILXPXSA-N 1 2 515.035 4.390 40 0 KIABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257309014 572316758 /nfs/dbraw/zinc/31/67/58/572316758.db2.gz TZEPEOJFKUDRDN-OFVILXPXSA-N 1 2 515.035 4.390 40 0 KIABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3nc4ccc(F)cc4s3)CC2)C1 ZINC000257309170 572316723 /nfs/dbraw/zinc/31/67/23/572316723.db2.gz TZVKEAAOQAFPDE-UHFFFAOYSA-N 1 2 510.701 4.174 40 0 KIABLO CC(C)CS(=O)(=O)N1CC2(CC[NH+](CC(=O)Nc3ccccc3OC(F)F)CC2)CCC1(C)C ZINC000257310624 572316849 /nfs/dbraw/zinc/31/68/49/572316849.db2.gz UFXNNPWNAQGCRN-UHFFFAOYSA-N 1 2 501.640 4.169 40 0 KIABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)C1 ZINC000257315715 572317324 /nfs/dbraw/zinc/31/73/24/572317324.db2.gz VCMZCLSJPBHZSM-UHFFFAOYSA-N 1 2 503.631 4.444 40 0 KIABLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(=O)(=O)c2cccc(F)c2)C3)cc1 ZINC000257319867 572317858 /nfs/dbraw/zinc/31/78/58/572317858.db2.gz VUJHMVXEMMBOQN-UHFFFAOYSA-N 1 2 530.666 4.068 40 0 KIABLO COc1cc2c(cc1NC(=O)C[N@H+]1C[C@H](O)[C@]3(CCCN3C(=O)OCc3ccccc3)C1)oc1ccccc12 ZINC000257328366 572318604 /nfs/dbraw/zinc/31/86/04/572318604.db2.gz XFHVALFWTXBIDF-FIBWVYCGSA-N 1 2 529.593 4.381 40 0 KIABLO COc1cc2c(cc1NC(=O)C[N@@H+]1C[C@H](O)[C@]3(CCCN3C(=O)OCc3ccccc3)C1)oc1ccccc12 ZINC000257328366 572318602 /nfs/dbraw/zinc/31/86/02/572318602.db2.gz XFHVALFWTXBIDF-FIBWVYCGSA-N 1 2 529.593 4.381 40 0 KIABLO CC(C)CS(=O)(=O)N1CC(C)(C)CC2(CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)C1 ZINC000257334843 572319278 /nfs/dbraw/zinc/31/92/78/572319278.db2.gz YHOMWNAJJALZKU-UHFFFAOYSA-N 1 2 503.631 4.444 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1nc3ccc(F)cc3s1)CC2 ZINC000257335154 572319367 /nfs/dbraw/zinc/31/93/67/572319367.db2.gz YIXJQKFWYUWDNY-UHFFFAOYSA-N 1 2 530.691 4.470 40 0 KIABLO CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)c2ccc(C)cc2)[C@H](Cc2ccccc2)CO3)cc1 ZINC000257336180 572319414 /nfs/dbraw/zinc/31/94/14/572319414.db2.gz YNMDLSCKPVJGAT-GDLZYMKVSA-N 1 2 590.746 4.059 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257339345 572319737 /nfs/dbraw/zinc/31/97/37/572319737.db2.gz ZBIHDKNQDUEQOF-QCDSWUKFSA-N 1 2 571.740 4.065 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@@]3(CCC[N@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257339345 572319735 /nfs/dbraw/zinc/31/97/35/572319735.db2.gz ZBIHDKNQDUEQOF-QCDSWUKFSA-N 1 2 571.740 4.065 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257339346 572319721 /nfs/dbraw/zinc/31/97/21/572319721.db2.gz ZBIHDKNQDUEQOF-SETSBSEESA-N 1 2 571.740 4.065 40 0 KIABLO Cc1ccc(S(=O)(=O)N2C[C@]3(CCC[N@H+](CC(=O)Nc4ccc5c(c4)OCCCO5)C3)OC[C@@H]2CC(C)C)cc1 ZINC000257339346 572319719 /nfs/dbraw/zinc/31/97/19/572319719.db2.gz ZBIHDKNQDUEQOF-SETSBSEESA-N 1 2 571.740 4.065 40 0 KIABLO Cc1nc2cc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)c3cccc(F)c3)C4)ccc2n1C ZINC000257340322 572319893 /nfs/dbraw/zinc/31/98/93/572319893.db2.gz ZFNBFGUOYNOVOR-UHFFFAOYSA-N 1 2 541.693 4.305 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CC3(CC[NH+](CC(=O)Nc4ccc5c(c4)OCCCO5)CC3)OC[C@H]2Cc2ccccc2)cc1 ZINC000257341744 572320052 /nfs/dbraw/zinc/32/00/52/572320052.db2.gz ZLUBFUHXDRTFRZ-MUUNZHRXSA-N 1 2 605.757 4.262 40 0 KIABLO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc(OC(F)F)cc1)CC2 ZINC000257343348 572320206 /nfs/dbraw/zinc/32/02/06/572320206.db2.gz ZSNRXZKOLRYJBN-UHFFFAOYSA-N 1 2 521.630 4.323 40 0 KIABLO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Oc1cccc(Br)c1 ZINC000257344250 572320197 /nfs/dbraw/zinc/32/01/97/572320197.db2.gz ZWGWWEFCVXXDKW-DHLKQENFSA-N 1 2 539.474 4.381 40 0 KIABLO CCOc1cc(Br)cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)c1OC(C)=O ZINC000261361614 572103886 /nfs/dbraw/zinc/10/38/86/572103886.db2.gz AKGHBCZDXBZMMK-HSZRJFAPSA-O 1 2 560.450 4.249 40 0 KIABLO CCOc1cc(Br)cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)c1OC(C)=O ZINC000261361618 572103571 /nfs/dbraw/zinc/10/35/71/572103571.db2.gz AKGHBCZDXBZMMK-QHCPKHFHSA-O 1 2 560.450 4.249 40 0 KIABLO COc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OCc1ccccc1 ZINC000261361830 572103616 /nfs/dbraw/zinc/10/36/16/572103616.db2.gz BENMNSWBBJITAD-AREMUKBSSA-O 1 2 501.588 4.360 40 0 KIABLO COc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OCc1ccccc1 ZINC000261361833 572103650 /nfs/dbraw/zinc/10/36/50/572103650.db2.gz BENMNSWBBJITAD-SANMLTNESA-O 1 2 501.588 4.360 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362122 572103579 /nfs/dbraw/zinc/10/35/79/572103579.db2.gz CFMGHHVKCWNCKQ-KRWDZBQOSA-O 1 2 588.245 4.302 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(I)c(O)c(OC)c1 ZINC000261362128 572103601 /nfs/dbraw/zinc/10/36/01/572103601.db2.gz CFMGHHVKCWNCKQ-QGZVFWFLSA-O 1 2 588.245 4.302 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(O)ccc1Br ZINC000261362296 572104151 /nfs/dbraw/zinc/10/41/51/572104151.db2.gz CRMCGDJPVSSTPZ-INIZCTEOSA-O 1 2 511.219 4.452 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(O)ccc1Br ZINC000261362297 572104224 /nfs/dbraw/zinc/10/42/24/572104224.db2.gz CRMCGDJPVSSTPZ-MRXNPFEDSA-O 1 2 511.219 4.452 40 0 KIABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)c(OC)c1 ZINC000261362440 572104101 /nfs/dbraw/zinc/10/41/01/572104101.db2.gz CZPHDPMHRDJNMC-RUZDIDTESA-O 1 2 509.608 4.266 40 0 KIABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)c(OC)c1 ZINC000261362441 572104296 /nfs/dbraw/zinc/10/42/96/572104296.db2.gz CZPHDPMHRDJNMC-VWLOTQADSA-O 1 2 509.608 4.266 40 0 KIABLO COc1cc(Cl)cc([C@H]2N(C(C)=O)c3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(C)=O ZINC000261362750 572104853 /nfs/dbraw/zinc/10/48/53/572104853.db2.gz DYLVXGBLJUMKAU-NRFANRHFSA-O 1 2 566.841 4.122 40 0 KIABLO COc1cc(Cl)cc([C@@H]2N(C(C)=O)c3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(C)=O ZINC000261362753 572104823 /nfs/dbraw/zinc/10/48/23/572104823.db2.gz DYLVXGBLJUMKAU-OAQYLSRUSA-O 1 2 566.841 4.122 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(I)cc(I)c1OC ZINC000261363016 572104733 /nfs/dbraw/zinc/10/47/33/572104733.db2.gz ORQQMKAHLLKUKB-FQEVSTJZSA-O 1 2 661.283 4.380 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(I)cc(I)c1OC ZINC000261363018 572104864 /nfs/dbraw/zinc/10/48/64/572104864.db2.gz ORQQMKAHLLKUKB-HXUWFJFHSA-O 1 2 661.283 4.380 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000261363029 572104840 /nfs/dbraw/zinc/10/48/40/572104840.db2.gz FQZHWHGACPXWLN-NRFANRHFSA-O 1 2 516.397 4.043 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000261363031 572104796 /nfs/dbraw/zinc/10/47/96/572104796.db2.gz FQZHWHGACPXWLN-OAQYLSRUSA-O 1 2 516.397 4.043 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261363167 572105252 /nfs/dbraw/zinc/10/52/52/572105252.db2.gz PPYSISRLKBHJJZ-INIZCTEOSA-O 1 2 511.219 4.452 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(Br)c1 ZINC000261363169 572105348 /nfs/dbraw/zinc/10/53/48/572105348.db2.gz PPYSISRLKBHJJZ-MRXNPFEDSA-O 1 2 511.219 4.452 40 0 KIABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(Br)c(Br)c1O ZINC000261363274 572105374 /nfs/dbraw/zinc/10/53/74/572105374.db2.gz QPABKKMELCRIDF-INIZCTEOSA-O 1 2 527.218 4.070 40 0 KIABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(Br)c(Br)c1O ZINC000261363275 572105394 /nfs/dbraw/zinc/10/53/94/572105394.db2.gz QPABKKMELCRIDF-MRXNPFEDSA-O 1 2 527.218 4.070 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)cc(Br)c1OC(C)=O ZINC000261363444 572105112 /nfs/dbraw/zinc/10/51/12/572105112.db2.gz SBZJPNVQWCDBBW-FQEVSTJZSA-O 1 2 581.266 4.222 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)cc(Br)c1OC(C)=O ZINC000261363445 572104979 /nfs/dbraw/zinc/10/49/79/572104979.db2.gz SBZJPNVQWCDBBW-HXUWFJFHSA-O 1 2 581.266 4.222 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)c(Br)c1 ZINC000261363557 572105005 /nfs/dbraw/zinc/10/50/05/572105005.db2.gz HMVFFJNPBQJRCD-FQEVSTJZSA-O 1 2 581.266 4.222 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)c(Br)c1 ZINC000261363558 572105167 /nfs/dbraw/zinc/10/51/67/572105167.db2.gz HMVFFJNPBQJRCD-HXUWFJFHSA-O 1 2 581.266 4.222 40 0 KIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)nc1-c1ccccc1 ZINC000261363761 572105754 /nfs/dbraw/zinc/10/57/54/572105754.db2.gz ICFBVSOJFVPGCY-RUZDIDTESA-O 1 2 501.592 4.076 40 0 KIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C(C)=O)nc1-c1ccccc1 ZINC000261363762 572105787 /nfs/dbraw/zinc/10/57/87/572105787.db2.gz ICFBVSOJFVPGCY-VWLOTQADSA-O 1 2 501.592 4.076 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261363845 572105706 /nfs/dbraw/zinc/10/57/06/572105706.db2.gz XEWQDMPUYAQNNC-FQEVSTJZSA-O 1 2 536.815 4.113 40 0 KIABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)cc(Br)c1OC(C)=O ZINC000261363846 572105951 /nfs/dbraw/zinc/10/59/51/572105951.db2.gz XEWQDMPUYAQNNC-HXUWFJFHSA-O 1 2 536.815 4.113 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261364183 572106583 /nfs/dbraw/zinc/10/65/83/572106583.db2.gz JTHXWUOZEFBKMN-KRWDZBQOSA-O 1 2 541.245 4.460 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261364184 572106489 /nfs/dbraw/zinc/10/64/89/572106489.db2.gz JTHXWUOZEFBKMN-QGZVFWFLSA-O 1 2 541.245 4.460 40 0 KIABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(Br)cc1OC ZINC000261364393 572106501 /nfs/dbraw/zinc/10/65/01/572106501.db2.gz LFUXELGXJPJDSU-JOCHJYFZSA-O 1 2 532.440 4.332 40 0 KIABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c(Br)cc1OC ZINC000261364394 572106508 /nfs/dbraw/zinc/10/65/08/572106508.db2.gz LFUXELGXJPJDSU-QFIPXVFZSA-O 1 2 532.440 4.332 40 0 KIABLO COc1cc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc2c1OCO2 ZINC000261364531 572106908 /nfs/dbraw/zinc/10/69/08/572106908.db2.gz LZEKJQZKRVPAMA-AREMUKBSSA-O 1 2 515.571 4.080 40 0 KIABLO COc1cc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCc4ccccc4)n[n+]32)cc2c1OCO2 ZINC000261364532 572106891 /nfs/dbraw/zinc/10/68/91/572106891.db2.gz LZEKJQZKRVPAMA-SANMLTNESA-O 1 2 515.571 4.080 40 0 KIABLO CCC(=O)Oc1ccc(Br)c([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261364857 572107376 /nfs/dbraw/zinc/10/73/76/572107376.db2.gz OFFSVGGMNMFVAY-JOCHJYFZSA-O 1 2 530.424 4.240 40 0 KIABLO CCC(=O)Oc1ccc(Br)c([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261364858 572107398 /nfs/dbraw/zinc/10/73/98/572107398.db2.gz OFFSVGGMNMFVAY-QFIPXVFZSA-O 1 2 530.424 4.240 40 0 KIABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1OC ZINC000261365070 572107244 /nfs/dbraw/zinc/10/72/44/572107244.db2.gz PTJJFHKKYHFYFX-JOCHJYFZSA-O 1 2 532.440 4.332 40 0 KIABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1OC ZINC000261365071 572107422 /nfs/dbraw/zinc/10/74/22/572107422.db2.gz PTJJFHKKYHFYFX-QFIPXVFZSA-O 1 2 532.440 4.332 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)c(Br)c1 ZINC000261365254 572107840 /nfs/dbraw/zinc/10/78/40/572107840.db2.gz QYJMWAFAMLUQDM-INIZCTEOSA-O 1 2 511.219 4.452 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)c(Br)c1 ZINC000261365255 572107917 /nfs/dbraw/zinc/10/79/17/572107917.db2.gz QYJMWAFAMLUQDM-MRXNPFEDSA-O 1 2 511.219 4.452 40 0 KIABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1 ZINC000261365393 572107960 /nfs/dbraw/zinc/10/79/60/572107960.db2.gz RXUWBRBWYRCUJH-NRFANRHFSA-O 1 2 502.414 4.323 40 0 KIABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccc(Br)cc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1 ZINC000261365394 572107835 /nfs/dbraw/zinc/10/78/35/572107835.db2.gz RXUWBRBWYRCUJH-OAQYLSRUSA-O 1 2 502.414 4.323 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1cc(Br)ccc1OC ZINC000261365715 572108580 /nfs/dbraw/zinc/10/85/80/572108580.db2.gz UVKNZIRXECQPOT-NRFANRHFSA-O 1 2 502.414 4.323 40 0 KIABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1cc(Br)ccc1OC ZINC000261365716 572108446 /nfs/dbraw/zinc/10/84/46/572108446.db2.gz UVKNZIRXECQPOT-OAQYLSRUSA-O 1 2 502.414 4.323 40 0 KIABLO CCOc1ccc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)c1 ZINC000261365717 572108436 /nfs/dbraw/zinc/10/84/36/572108436.db2.gz UVMWLLUOTRLHRA-NRFANRHFSA-O 1 2 502.414 4.323 40 0 KIABLO CCOc1ccc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)c1 ZINC000261365718 572108419 /nfs/dbraw/zinc/10/84/19/572108419.db2.gz UVMWLLUOTRLHRA-OAQYLSRUSA-O 1 2 502.414 4.323 40 0 KIABLO CCOc1ccc(Br)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365842 572108510 /nfs/dbraw/zinc/10/85/10/572108510.db2.gz VRNJIDGMCJOMKC-NRFANRHFSA-O 1 2 502.414 4.323 40 0 KIABLO CCOc1ccc(Br)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365843 572108324 /nfs/dbraw/zinc/10/83/24/572108324.db2.gz VRNJIDGMCJOMKC-OAQYLSRUSA-O 1 2 502.414 4.323 40 0 KIABLO CCC(=O)Oc1c(OC)cc(Br)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366120 572109027 /nfs/dbraw/zinc/10/90/27/572109027.db2.gz XLVNQGHJQZJMKP-HSZRJFAPSA-O 1 2 560.450 4.249 40 0 KIABLO CCC(=O)Oc1c(OC)cc(Br)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261366121 572109146 /nfs/dbraw/zinc/10/91/46/572109146.db2.gz XLVNQGHJQZJMKP-QHCPKHFHSA-O 1 2 560.450 4.249 40 0 KIABLO CCC(=O)Oc1c(Br)cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261366170 572109062 /nfs/dbraw/zinc/10/90/62/572109062.db2.gz XSDMIQXGDQDVID-HSZRJFAPSA-O 1 2 560.450 4.249 40 0 KIABLO CCC(=O)Oc1c(Br)cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261366171 572109019 /nfs/dbraw/zinc/10/90/19/572109019.db2.gz XSDMIQXGDQDVID-QHCPKHFHSA-O 1 2 560.450 4.249 40 0 KIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Br)OCO2 ZINC000261366249 572109160 /nfs/dbraw/zinc/10/91/60/572109160.db2.gz YHXOHAKYNFCBHZ-NRFANRHFSA-O 1 2 516.397 4.043 40 0 KIABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Br)OCO2 ZINC000261366250 572109055 /nfs/dbraw/zinc/10/90/55/572109055.db2.gz YHXOHAKYNFCBHZ-OAQYLSRUSA-O 1 2 516.397 4.043 40 0 KIABLO COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1C(F)(F)F ZINC000328984878 572148323 /nfs/dbraw/zinc/14/83/23/572148323.db2.gz HPVDLHLGLOVGMW-UHFFFAOYSA-N 1 2 502.415 4.451 40 0 KIABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000408543023 572211740 /nfs/dbraw/zinc/21/17/40/572211740.db2.gz BXQKVSXKQYHAIU-UHFFFAOYSA-N 1 2 528.030 4.136 40 0 KIABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2Cl)c1 ZINC000408543332 572212121 /nfs/dbraw/zinc/21/21/21/572212121.db2.gz CWIHLLRLRVOOBP-UHFFFAOYSA-N 1 2 542.057 4.444 40 0 KIABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1 ZINC000408546114 572222149 /nfs/dbraw/zinc/22/21/49/572222149.db2.gz QTVNQFJYAAFLOX-UHFFFAOYSA-N 1 2 521.639 4.099 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2Cl)cc1C ZINC000408546424 572222727 /nfs/dbraw/zinc/22/27/27/572222727.db2.gz SIIMRVIOVRWSKR-UHFFFAOYSA-N 1 2 542.057 4.444 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)cc1C ZINC000408546450 572223314 /nfs/dbraw/zinc/22/33/14/572223314.db2.gz SRTCSQMHIRQYIX-UHFFFAOYSA-N 1 2 521.639 4.099 40 0 KIABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2C)c1 ZINC000408547223 572224749 /nfs/dbraw/zinc/22/47/49/572224749.db2.gz XCEDVWAEZHWAJJ-UHFFFAOYSA-N 1 2 521.639 4.099 40 0 KIABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2Cl)c1 ZINC000408547690 572226609 /nfs/dbraw/zinc/22/66/09/572226609.db2.gz LJMKAJHXPRZCDO-UHFFFAOYSA-N 1 2 542.057 4.444 40 0 KIABLO COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1I ZINC000408548212 572228249 /nfs/dbraw/zinc/22/82/49/572228249.db2.gz QNLXVWKUAVILDI-UHFFFAOYSA-N 1 2 548.446 4.396 40 0 KIABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408553929 572241192 /nfs/dbraw/zinc/24/11/92/572241192.db2.gz ADVGWWXPFZLWSR-UHFFFAOYSA-N 1 2 500.020 4.107 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408554416 572241879 /nfs/dbraw/zinc/24/18/79/572241879.db2.gz CQSPLGBWPAOJFA-UHFFFAOYSA-N 1 2 578.474 4.246 40 0 KIABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408557184 572244648 /nfs/dbraw/zinc/24/46/48/572244648.db2.gz LWOWIOGHHXRGRD-UHFFFAOYSA-N 1 2 500.020 4.107 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408558578 572245888 /nfs/dbraw/zinc/24/58/88/572245888.db2.gz JTHAVWJQKNPIDJ-UHFFFAOYSA-N 1 2 578.474 4.246 40 0 KIABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408558835 572245994 /nfs/dbraw/zinc/24/59/94/572245994.db2.gz KHGDIRHMNUXFLA-UHFFFAOYSA-N 1 2 514.047 4.498 40 0 KIABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408559861 572246972 /nfs/dbraw/zinc/24/69/72/572246972.db2.gz NCONWFHOSBTDSQ-UHFFFAOYSA-N 1 2 514.047 4.498 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408561469 572248211 /nfs/dbraw/zinc/24/82/11/572248211.db2.gz SVMQVCLADFSEER-UHFFFAOYSA-N 1 2 533.572 4.229 40 0 KIABLO CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CC[N@H+](C)C2)S(=O)(=O)c1ccc(C)cc1 ZINC000408563392 572249209 /nfs/dbraw/zinc/24/92/09/572249209.db2.gz MIIPFZPKMVTZIH-UHFFFAOYSA-N 1 2 541.695 4.227 40 0 KIABLO CCc1ccccc1N(CC(=O)Nc1sc2c(c1C(=O)OC)CC[N@@H+](C)C2)S(=O)(=O)c1ccc(C)cc1 ZINC000408563392 572249208 /nfs/dbraw/zinc/24/92/08/572249208.db2.gz MIIPFZPKMVTZIH-UHFFFAOYSA-N 1 2 541.695 4.227 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000408564267 572250372 /nfs/dbraw/zinc/25/03/72/572250372.db2.gz UPZBUGUJIHPGMP-UHFFFAOYSA-N 1 2 504.612 4.386 40 0 KIABLO CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408579767 572263948 /nfs/dbraw/zinc/26/39/48/572263948.db2.gz OVUPJBFLKQCPRK-NRFANRHFSA-N 1 2 582.499 4.093 40 0 KIABLO CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(N2C[C@H](C(=O)NCCCn3cc[nH+]c3)CC2=O)cc1 ZINC000408579768 572263923 /nfs/dbraw/zinc/26/39/23/572263923.db2.gz OVUPJBFLKQCPRK-OAQYLSRUSA-N 1 2 582.499 4.093 40 0 KIABLO CCOC(=O)Nc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000408585955 572266065 /nfs/dbraw/zinc/26/60/65/572266065.db2.gz LSHQOUXNDXNRLK-UHFFFAOYSA-N 1 2 509.628 4.360 40 0 KIABLO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)c1 ZINC000408586970 572266375 /nfs/dbraw/zinc/26/63/75/572266375.db2.gz AOZMLTBOXOLALG-RMKNXTFCSA-N 1 2 519.667 4.341 40 0 KIABLO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)c1 ZINC000408587023 572266387 /nfs/dbraw/zinc/26/63/87/572266387.db2.gz AWLRXSKTMXGKNQ-RMKNXTFCSA-N 1 2 519.667 4.341 40 0 KIABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408587565 572266647 /nfs/dbraw/zinc/26/66/47/572266647.db2.gz BOLSXWVERNTMRX-LDOPOZNOSA-N 1 2 524.086 4.087 40 0 KIABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408587567 572266635 /nfs/dbraw/zinc/26/66/35/572266635.db2.gz BOLSXWVERNTMRX-VYTBZZOSSA-N 1 2 524.086 4.087 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408587611 572266610 /nfs/dbraw/zinc/26/66/10/572266610.db2.gz BRAJEYYYYKJPIA-RMKNXTFCSA-N 1 2 552.096 4.328 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408590067 572267552 /nfs/dbraw/zinc/26/75/52/572267552.db2.gz GVTHHIPABDZNAB-UHFFFAOYSA-N 1 2 514.047 4.172 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408590072 572267582 /nfs/dbraw/zinc/26/75/82/572267582.db2.gz GWKNJFPTMSGLFT-KPKJPENVSA-N 1 2 540.085 4.055 40 0 KIABLO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408590401 572267738 /nfs/dbraw/zinc/26/77/38/572267738.db2.gz GPABRTDGSDVQBW-LDOPOZNOSA-N 1 2 568.537 4.196 40 0 KIABLO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408590404 572267726 /nfs/dbraw/zinc/26/77/26/572267726.db2.gz GPABRTDGSDVQBW-VYTBZZOSSA-N 1 2 568.537 4.196 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408591058 572267992 /nfs/dbraw/zinc/26/79/92/572267992.db2.gz IPRUQRQXFNLREE-UXBLZVDNSA-N 1 2 531.678 4.065 40 0 KIABLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1 ZINC000408591059 572268056 /nfs/dbraw/zinc/26/80/56/572268056.db2.gz IQEJZPPCJNCDGS-RMKNXTFCSA-N 1 2 535.666 4.123 40 0 KIABLO Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408591534 572268237 /nfs/dbraw/zinc/26/82/37/572268237.db2.gz JMKBOUVQNHTQIK-YRNVUSSQSA-N 1 2 505.640 4.032 40 0 KIABLO O=C([C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408591608 572268252 /nfs/dbraw/zinc/26/82/52/572268252.db2.gz JRVWVVZTIQDDHL-FJEQHEBYSA-N 1 2 503.668 4.098 40 0 KIABLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408591611 572268273 /nfs/dbraw/zinc/26/82/73/572268273.db2.gz JRVWVVZTIQDDHL-VVBGSLPDSA-N 1 2 503.668 4.098 40 0 KIABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCCC1 ZINC000408591985 572268440 /nfs/dbraw/zinc/26/84/40/572268440.db2.gz MVLZESDREQRTAW-UHFFFAOYSA-N 1 2 504.656 4.410 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1C ZINC000408592198 572268510 /nfs/dbraw/zinc/26/85/10/572268510.db2.gz KOARPHLNMPACJL-RMKNXTFCSA-N 1 2 519.667 4.341 40 0 KIABLO Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)c1 ZINC000408592765 572268812 /nfs/dbraw/zinc/26/88/12/572268812.db2.gz LQGKXDUISVFQOD-UXBLZVDNSA-N 1 2 505.640 4.032 40 0 KIABLO O=C([C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408592871 572268775 /nfs/dbraw/zinc/26/87/75/572268775.db2.gz MEPOKMHBNIBQCK-FAZYEBOESA-N 1 2 522.498 4.252 40 0 KIABLO O=C([C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408592875 572268818 /nfs/dbraw/zinc/26/88/18/572268818.db2.gz MEPOKMHBNIBQCK-VPVJOJIASA-N 1 2 522.498 4.252 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1)c1cccc(C(F)(F)F)c1 ZINC000408592888 572268804 /nfs/dbraw/zinc/26/88/04/572268804.db2.gz MEZVZGLPXSXVOH-UHFFFAOYSA-N 1 2 605.635 4.291 40 0 KIABLO O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408593185 572269073 /nfs/dbraw/zinc/26/90/73/572269073.db2.gz MWNJXZFNBUIXCP-QPJJXVBHSA-N 1 2 522.498 4.252 40 0 KIABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1Cl ZINC000408593852 572269375 /nfs/dbraw/zinc/26/93/75/572269375.db2.gz OOLXAJOSEKAATI-VMPITWQZSA-N 1 2 556.084 4.386 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)NCC(C)C ZINC000408594279 572269639 /nfs/dbraw/zinc/26/96/39/572269639.db2.gz PMLDEJSUDLDURH-UHFFFAOYSA-N 1 2 505.684 4.477 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408594336 572269567 /nfs/dbraw/zinc/26/95/67/572269567.db2.gz PWIWBBZWIKBGAZ-JXMROGBWSA-N 1 2 532.106 4.187 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408594503 572269782 /nfs/dbraw/zinc/26/97/82/572269782.db2.gz SMPXFFNRXKVWFO-UHFFFAOYSA-N 1 2 518.010 4.003 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408596410 572270824 /nfs/dbraw/zinc/27/08/24/572270824.db2.gz UUSDEGMPKZOHRO-QPJJXVBHSA-N 1 2 570.509 4.486 40 0 KIABLO O=C(C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408596939 572271280 /nfs/dbraw/zinc/27/12/80/572271280.db2.gz VFHUUPNUHPPUHD-RMKNXTFCSA-N 1 2 503.668 4.098 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408597451 572271545 /nfs/dbraw/zinc/27/15/45/572271545.db2.gz WKBOBACEVQFTRM-QPJJXVBHSA-N 1 2 526.058 4.377 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)c2)cc1 ZINC000408598022 572271943 /nfs/dbraw/zinc/27/19/43/572271943.db2.gz YWDVOVAZZBKAFE-RMKNXTFCSA-N 1 2 519.667 4.341 40 0 KIABLO Cc1ccc(C)c(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000408601682 572272942 /nfs/dbraw/zinc/27/29/42/572272942.db2.gz BFWUMIHYYIGUCW-FMIVXFBMSA-N 1 2 503.668 4.356 40 0 KIABLO CC(C)CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408601732 572273030 /nfs/dbraw/zinc/27/30/30/572273030.db2.gz GVTPGDYSQJLAHM-DEOSSOPVSA-N 1 2 535.710 4.322 40 0 KIABLO CC(C)CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408601733 572273001 /nfs/dbraw/zinc/27/30/01/572273001.db2.gz GVTPGDYSQJLAHM-XMMPIXPASA-N 1 2 535.710 4.322 40 0 KIABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(=O)N1CCCC1 ZINC000408602081 572273108 /nfs/dbraw/zinc/27/31/08/572273108.db2.gz HQRJPDDIKZNVEH-UHFFFAOYSA-N 1 2 503.668 4.327 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1OC ZINC000408602200 572273251 /nfs/dbraw/zinc/27/32/51/572273251.db2.gz COFNIVAPPDDNLA-RMKNXTFCSA-N 1 2 570.111 4.410 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(Cl)cc2)cc1 ZINC000408602237 572273304 /nfs/dbraw/zinc/27/33/04/572273304.db2.gz CVDGNQPDJHPHQL-VMPITWQZSA-N 1 2 540.085 4.402 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408603979 572273801 /nfs/dbraw/zinc/27/38/01/572273801.db2.gz GNZGZZRXYVWMCV-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408603979 572273799 /nfs/dbraw/zinc/27/37/99/572273799.db2.gz GNZGZZRXYVWMCV-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000408604005 572273835 /nfs/dbraw/zinc/27/38/35/572273835.db2.gz GRJFNRDITYLXEX-UHFFFAOYSA-N 1 2 594.111 4.027 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000408604005 572273834 /nfs/dbraw/zinc/27/38/34/572273834.db2.gz GRJFNRDITYLXEX-UHFFFAOYSA-N 1 2 594.111 4.027 40 0 KIABLO COc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408604047 572273845 /nfs/dbraw/zinc/27/38/45/572273845.db2.gz GXUMBISWSDXCFX-DHZHZOJOSA-N 1 2 519.667 4.057 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408604773 572274126 /nfs/dbraw/zinc/27/41/26/572274126.db2.gz IEBFYKQXRDEJFD-UHFFFAOYSA-N 1 2 541.695 4.480 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408604773 572274125 /nfs/dbraw/zinc/27/41/25/572274125.db2.gz IEBFYKQXRDEJFD-UHFFFAOYSA-N 1 2 541.695 4.480 40 0 KIABLO COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408604807 572274122 /nfs/dbraw/zinc/27/41/22/572274122.db2.gz IJBYJMGFRWAXGY-UHFFFAOYSA-N 1 2 504.612 4.107 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408605620 572274511 /nfs/dbraw/zinc/27/45/11/572274511.db2.gz JRLAPIBRPMMQIF-UHFFFAOYSA-N 1 2 592.537 4.428 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408605620 572274509 /nfs/dbraw/zinc/27/45/09/572274509.db2.gz JRLAPIBRPMMQIF-UHFFFAOYSA-N 1 2 592.537 4.428 40 0 KIABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000408605852 572274587 /nfs/dbraw/zinc/27/45/87/572274587.db2.gz KEVVLRCCMFDFNH-DHZHZOJOSA-N 1 2 505.640 4.103 40 0 KIABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000408606409 572274849 /nfs/dbraw/zinc/27/48/49/572274849.db2.gz KFUZVJZJLCMZAH-FMIVXFBMSA-N 1 2 503.668 4.356 40 0 KIABLO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1Cl ZINC000408608717 572275606 /nfs/dbraw/zinc/27/56/06/572275606.db2.gz RYSFIYHJPAMCPZ-UHFFFAOYSA-N 1 2 514.047 4.172 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408609501 572275835 /nfs/dbraw/zinc/27/58/35/572275835.db2.gz OUISUJUZWIRIRO-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[N@H+](C)C2 ZINC000408609501 572275834 /nfs/dbraw/zinc/27/58/34/572275834.db2.gz OUISUJUZWIRIRO-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO CC(C)NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408610015 572275944 /nfs/dbraw/zinc/27/59/44/572275944.db2.gz UGCWMZORVHFIPJ-HSZRJFAPSA-N 1 2 521.683 4.074 40 0 KIABLO CC(C)NC(=O)[C@H](C)Oc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408610016 572275978 /nfs/dbraw/zinc/27/59/78/572275978.db2.gz UGCWMZORVHFIPJ-QHCPKHFHSA-N 1 2 521.683 4.074 40 0 KIABLO Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000408610387 572276070 /nfs/dbraw/zinc/27/60/70/572276070.db2.gz QLBVQHOOQARJLP-UHFFFAOYSA-N 1 2 528.074 4.106 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408610491 572276187 /nfs/dbraw/zinc/27/61/87/572276187.db2.gz RIIZSSMMVQBBNG-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408610491 572276186 /nfs/dbraw/zinc/27/61/86/572276186.db2.gz RIIZSSMMVQBBNG-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408610735 572276299 /nfs/dbraw/zinc/27/62/99/572276299.db2.gz VMBMKDOSOUCWTB-JXMROGBWSA-N 1 2 526.058 4.377 40 0 KIABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408611147 572276459 /nfs/dbraw/zinc/27/64/59/572276459.db2.gz SDLUDWVPXSLBLY-FMIVXFBMSA-N 1 2 519.667 4.138 40 0 KIABLO Cc1cc(C)cc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000408611165 572276429 /nfs/dbraw/zinc/27/64/29/572276429.db2.gz SIPRUIFDIOUOAG-FMIVXFBMSA-N 1 2 503.668 4.356 40 0 KIABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000408611366 572276572 /nfs/dbraw/zinc/27/65/72/572276572.db2.gz UCUGUDOGEYLJLE-DHZHZOJOSA-N 1 2 540.085 4.402 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000408612082 572276772 /nfs/dbraw/zinc/27/67/72/572276772.db2.gz UEIOOKCZBQNBEP-UHFFFAOYSA-N 1 2 514.957 4.266 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000408612153 572276789 /nfs/dbraw/zinc/27/67/89/572276789.db2.gz ULLJCBUGBYFHHL-RMKNXTFCSA-N 1 2 537.657 4.277 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408612402 572276929 /nfs/dbraw/zinc/27/69/29/572276929.db2.gz VEANUPHLGMANKH-UHFFFAOYSA-N 1 2 578.112 4.327 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408612402 572276927 /nfs/dbraw/zinc/27/69/27/572276927.db2.gz VEANUPHLGMANKH-UHFFFAOYSA-N 1 2 578.112 4.327 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cccc(Cl)c2)cc1 ZINC000408613897 572277547 /nfs/dbraw/zinc/27/75/47/572277547.db2.gz YKJNRAXRYNDQLC-RMKNXTFCSA-N 1 2 540.085 4.402 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408614000 572277643 /nfs/dbraw/zinc/27/76/43/572277643.db2.gz ZOVIEJOECHGCLX-UHFFFAOYSA-N 1 2 564.085 4.019 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)sc2c1CC[N@H+](C)C2 ZINC000408614000 572277642 /nfs/dbraw/zinc/27/76/42/572277642.db2.gz ZOVIEJOECHGCLX-UHFFFAOYSA-N 1 2 564.085 4.019 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408614017 572277656 /nfs/dbraw/zinc/27/76/56/572277656.db2.gz ZRVGJZGUIJRDAX-UHFFFAOYSA-N 1 2 534.059 4.010 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408614017 572277655 /nfs/dbraw/zinc/27/76/55/572277655.db2.gz ZRVGJZGUIJRDAX-UHFFFAOYSA-N 1 2 534.059 4.010 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 ZINC000408614382 572277861 /nfs/dbraw/zinc/27/78/61/572277861.db2.gz BPYWCRXTXRATPN-FMIVXFBMSA-N 1 2 519.667 4.138 40 0 KIABLO Cc1cccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000408614586 572277978 /nfs/dbraw/zinc/27/79/78/572277978.db2.gz DXZVYZBXNDXIDA-GXDHUFHOSA-N 1 2 503.668 4.356 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408614612 572277986 /nfs/dbraw/zinc/27/79/86/572277986.db2.gz FGTQZECIHMQDNV-UHFFFAOYSA-N 1 2 541.695 4.282 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408614612 572277985 /nfs/dbraw/zinc/27/79/85/572277985.db2.gz FGTQZECIHMQDNV-UHFFFAOYSA-N 1 2 541.695 4.282 40 0 KIABLO CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C)C3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408614984 572278082 /nfs/dbraw/zinc/27/80/82/572278082.db2.gz KLKRKAXIBQANES-UHFFFAOYSA-N 1 2 578.112 4.409 40 0 KIABLO CCOc1ccc(N(CC(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C)C3)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000408614984 572278080 /nfs/dbraw/zinc/27/80/80/572278080.db2.gz KLKRKAXIBQANES-UHFFFAOYSA-N 1 2 578.112 4.409 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408615468 572278218 /nfs/dbraw/zinc/27/82/18/572278218.db2.gz AORLSGNEOHTRHF-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408615468 572278217 /nfs/dbraw/zinc/27/82/17/572278217.db2.gz AORLSGNEOHTRHF-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408615623 572278350 /nfs/dbraw/zinc/27/83/50/572278350.db2.gz RHJWDEOTPBJGEF-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408615623 572278349 /nfs/dbraw/zinc/27/83/49/572278349.db2.gz RHJWDEOTPBJGEF-UHFFFAOYSA-N 1 2 548.086 4.318 40 0 KIABLO CCOc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408615752 572278442 /nfs/dbraw/zinc/27/84/42/572278442.db2.gz RSILXNFNSPTFOY-SDNWHVSQSA-N 1 2 519.667 4.138 40 0 KIABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408615828 572278423 /nfs/dbraw/zinc/27/84/23/572278423.db2.gz SRVYRRGNBUVBPQ-JXMROGBWSA-N 1 2 510.059 4.393 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408615861 572278464 /nfs/dbraw/zinc/27/84/64/572278464.db2.gz TXNQTWNZVLZDIC-UHFFFAOYSA-N 1 2 564.085 4.019 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(OC)c(Cl)c2)S(=O)(=O)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408615861 572278463 /nfs/dbraw/zinc/27/84/63/572278463.db2.gz TXNQTWNZVLZDIC-UHFFFAOYSA-N 1 2 564.085 4.019 40 0 KIABLO COc1cccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408616007 572278500 /nfs/dbraw/zinc/27/85/00/572278500.db2.gz DWLQHODQECFRHV-JXMROGBWSA-N 1 2 519.667 4.057 40 0 KIABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000408616847 572279070 /nfs/dbraw/zinc/27/90/70/572279070.db2.gz CIALKPSJBMPAKH-JXMROGBWSA-N 1 2 549.693 4.065 40 0 KIABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000408616918 572279131 /nfs/dbraw/zinc/27/91/31/572279131.db2.gz BOWVIDCUBXZSEY-DHZHZOJOSA-N 1 2 579.719 4.155 40 0 KIABLO Cc1ccc(CN(c2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)S(C)(=O)=O)cc1 ZINC000408617145 572279292 /nfs/dbraw/zinc/27/92/92/572279292.db2.gz HWCGKGUGMANZDO-RMKNXTFCSA-N 1 2 503.668 4.432 40 0 KIABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408617165 572279357 /nfs/dbraw/zinc/27/93/57/572279357.db2.gz IEZPRNSZSHUTSZ-JXMROGBWSA-N 1 2 549.693 4.065 40 0 KIABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408617436 572279579 /nfs/dbraw/zinc/27/95/79/572279579.db2.gz CGTSPDXEGZMVDQ-RMKNXTFCSA-N 1 2 517.695 4.352 40 0 KIABLO Cc1ccc(CN(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408617462 572279495 /nfs/dbraw/zinc/27/94/95/572279495.db2.gz CHLVOTKTNHXDAQ-DHZHZOJOSA-N 1 2 503.668 4.044 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2cccc(C)c2)cc1 ZINC000408617592 572279536 /nfs/dbraw/zinc/27/95/36/572279536.db2.gz BVRDVSDICLAIGR-KPKJPENVSA-N 1 2 517.695 4.352 40 0 KIABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408617645 572279676 /nfs/dbraw/zinc/27/96/76/572279676.db2.gz CDOIBINTYPQTQH-JXMROGBWSA-N 1 2 549.693 4.065 40 0 KIABLO COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408617766 572279717 /nfs/dbraw/zinc/27/97/17/572279717.db2.gz JKVZAZNDUWKQCM-UHFFFAOYSA-N 1 2 527.668 4.050 40 0 KIABLO COC(=O)c1c(NC(=O)c2ccc(N(Cc3ccc(C)cc3)S(C)(=O)=O)cc2)sc2c1CC[N@H+](C)C2 ZINC000408617766 572279715 /nfs/dbraw/zinc/27/97/15/572279715.db2.gz JKVZAZNDUWKQCM-UHFFFAOYSA-N 1 2 527.668 4.050 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000408617973 572279873 /nfs/dbraw/zinc/27/98/73/572279873.db2.gz IGFAAWCCCJOSOZ-JXMROGBWSA-N 1 2 600.137 4.419 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(C)cc1 ZINC000408618105 572279934 /nfs/dbraw/zinc/27/99/34/572279934.db2.gz CSMUCKYGSKZKHL-JXMROGBWSA-N 1 2 533.694 4.365 40 0 KIABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000408618585 572280147 /nfs/dbraw/zinc/28/01/47/572280147.db2.gz LBZANNPGCWWFMB-FMIVXFBMSA-N 1 2 503.668 4.356 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2cc(C)cc(C)c2)cc1OC ZINC000408618647 572280300 /nfs/dbraw/zinc/28/03/00/572280300.db2.gz KXIBRFOLVWDGTM-DHZHZOJOSA-N 1 2 563.720 4.374 40 0 KIABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000408618704 572280245 /nfs/dbraw/zinc/28/02/45/572280245.db2.gz FDYSKPFOFMNMOT-UHFFFAOYSA-N 1 2 560.301 4.350 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408618778 572280285 /nfs/dbraw/zinc/28/02/85/572280285.db2.gz GMURJXMYIGIKBZ-MDWZMJQESA-N 1 2 517.695 4.086 40 0 KIABLO COc1cccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000408619254 572280463 /nfs/dbraw/zinc/28/04/63/572280463.db2.gz GWMPJSHKNZROKW-DHZHZOJOSA-N 1 2 549.693 4.065 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)sc2c1CC[N@@H+](C)C2 ZINC000408619296 572280564 /nfs/dbraw/zinc/28/05/64/572280564.db2.gz LNQHXKADLQDRKP-UHFFFAOYSA-N 1 2 622.563 4.436 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(OC)c(Br)c2)sc2c1CC[N@H+](C)C2 ZINC000408619296 572280563 /nfs/dbraw/zinc/28/05/63/572280563.db2.gz LNQHXKADLQDRKP-UHFFFAOYSA-N 1 2 622.563 4.436 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408619388 572280574 /nfs/dbraw/zinc/28/05/74/572280574.db2.gz LZZVEBMGZOSYTE-UHFFFAOYSA-N 1 2 578.112 4.327 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)cc2)sc2c1CC[N@H+](C)C2 ZINC000408619388 572280573 /nfs/dbraw/zinc/28/05/73/572280573.db2.gz LZZVEBMGZOSYTE-UHFFFAOYSA-N 1 2 578.112 4.327 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1 ZINC000408619598 572280674 /nfs/dbraw/zinc/28/06/74/572280674.db2.gz JUYAITIZBDGWAD-MDWZMJQESA-N 1 2 503.668 4.044 40 0 KIABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408620045 572280888 /nfs/dbraw/zinc/28/08/88/572280888.db2.gz JIZALRLPDXUGDN-DHZHZOJOSA-N 1 2 563.720 4.455 40 0 KIABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620268 572280995 /nfs/dbraw/zinc/28/09/95/572280995.db2.gz LLQSUVPXAGEPMG-JXMROGBWSA-N 1 2 524.086 4.389 40 0 KIABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cc(Cl)c(Cl)cc1Cl ZINC000408620657 572281244 /nfs/dbraw/zinc/28/12/44/572281244.db2.gz QCAHVSVSHMLXPN-VMPITWQZSA-N 1 2 516.878 4.270 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccc(F)cc2)cc1 ZINC000408620802 572281310 /nfs/dbraw/zinc/28/13/10/572281310.db2.gz MDQPSQBNOGGMQZ-VMPITWQZSA-N 1 2 521.658 4.183 40 0 KIABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408620829 572281360 /nfs/dbraw/zinc/28/13/60/572281360.db2.gz MIRRNIYKDJMFRG-UHFFFAOYSA-N 1 2 515.850 4.241 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2F)cc1 ZINC000408620837 572281301 /nfs/dbraw/zinc/28/13/01/572281301.db2.gz MKWWESWTVQGLEB-JXMROGBWSA-N 1 2 521.658 4.183 40 0 KIABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620936 572281354 /nfs/dbraw/zinc/28/13/54/572281354.db2.gz MXVSNTXUUBIZEO-KPKJPENVSA-N 1 2 568.537 4.498 40 0 KIABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408620958 572281332 /nfs/dbraw/zinc/28/13/32/572281332.db2.gz NDEPLXCPXIXSML-KPKJPENVSA-N 1 2 524.086 4.389 40 0 KIABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)cc2)cc1OC ZINC000408621258 572281582 /nfs/dbraw/zinc/28/15/82/572281582.db2.gz OXGWBYILJZUIMF-JXMROGBWSA-N 1 2 535.666 4.000 40 0 KIABLO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1Cl ZINC000408621646 572281746 /nfs/dbraw/zinc/28/17/46/572281746.db2.gz NONUKRYLXMTIJC-MDWZMJQESA-N 1 2 568.139 4.440 40 0 KIABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1)NCCCn1cc[nH+]c1 ZINC000408621712 572281703 /nfs/dbraw/zinc/28/17/03/572281703.db2.gz NVDFUESHFUFFEN-UHFFFAOYSA-N 1 2 560.301 4.350 40 0 KIABLO CCOc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408622027 572281817 /nfs/dbraw/zinc/28/18/17/572281817.db2.gz ADSYBFREXIQOGM-JXMROGBWSA-N 1 2 533.694 4.447 40 0 KIABLO COc1ccc(C)cc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408622299 572282006 /nfs/dbraw/zinc/28/20/06/572282006.db2.gz BUYLIXQZQJKMKD-JXMROGBWSA-N 1 2 533.694 4.365 40 0 KIABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408622402 572282046 /nfs/dbraw/zinc/28/20/46/572282046.db2.gz PZPAYLDDSZHCIV-KPKJPENVSA-N 1 2 538.113 4.431 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccccc1 ZINC000408622475 572282156 /nfs/dbraw/zinc/28/21/56/572282156.db2.gz OTCMMZKUMJARNA-FMIVXFBMSA-N 1 2 519.667 4.057 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(F)cc1 ZINC000408622561 572282153 /nfs/dbraw/zinc/28/21/53/572282153.db2.gz PETNDGIFSFUHBR-RMKNXTFCSA-N 1 2 537.657 4.196 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000408622568 572282143 /nfs/dbraw/zinc/28/21/43/572282143.db2.gz PFHUKFWBYQMJSZ-NTEUORMPSA-N 1 2 533.694 4.052 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1C ZINC000408622578 572282123 /nfs/dbraw/zinc/28/21/23/572282123.db2.gz PFZCPNWTQVIFFO-NTEUORMPSA-N 1 2 533.694 4.052 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1C ZINC000408622600 572282111 /nfs/dbraw/zinc/28/21/11/572282111.db2.gz PMOGVLANEDHKOC-XNTDXEJSSA-N 1 2 547.721 4.442 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)cc2)cc1 ZINC000408622689 572282253 /nfs/dbraw/zinc/28/22/53/572282253.db2.gz QMQKXGGERCFRTJ-JXMROGBWSA-N 1 2 533.694 4.447 40 0 KIABLO Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000408622749 572282273 /nfs/dbraw/zinc/28/22/73/572282273.db2.gz QXNAQDVSELCVGW-UHFFFAOYSA-N 1 2 528.074 4.106 40 0 KIABLO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408622757 572282276 /nfs/dbraw/zinc/28/22/76/572282276.db2.gz RAGVPFOAXCJIJF-DHZHZOJOSA-N 1 2 540.085 4.402 40 0 KIABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408623200 572282627 /nfs/dbraw/zinc/28/26/27/572282627.db2.gz RMUAPNOHVWQLMR-UHFFFAOYSA-N 1 2 515.850 4.241 40 0 KIABLO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408623660 572282847 /nfs/dbraw/zinc/28/28/47/572282847.db2.gz SKUXWPNPXMWDJH-JXMROGBWSA-N 1 2 510.059 4.393 40 0 KIABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408624472 572283033 /nfs/dbraw/zinc/28/30/33/572283033.db2.gz QJEGUUPEXMYXFW-DHZHZOJOSA-N 1 2 510.059 4.393 40 0 KIABLO Cc1ccccc1CN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000408624787 572283243 /nfs/dbraw/zinc/28/32/43/572283243.db2.gz UMIROEJPXWCUSF-XYOKQWHBSA-N 1 2 503.668 4.432 40 0 KIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)C[N@H+](C)CC2 ZINC000408624788 572283200 /nfs/dbraw/zinc/28/32/00/572283200.db2.gz UMXSVJVQFJPJFG-UHFFFAOYSA-N 1 2 513.641 4.193 40 0 KIABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c1)C[N@@H+](C)CC2 ZINC000408624788 572283198 /nfs/dbraw/zinc/28/31/98/572283198.db2.gz UMXSVJVQFJPJFG-UHFFFAOYSA-N 1 2 513.641 4.193 40 0 KIABLO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1C ZINC000408625073 572283338 /nfs/dbraw/zinc/28/33/38/572283338.db2.gz VJGVRLAAQSFTOD-NTEUORMPSA-N 1 2 547.721 4.095 40 0 KIABLO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408625307 572283377 /nfs/dbraw/zinc/28/33/77/572283377.db2.gz JLHMMAQSEBEVID-JXMROGBWSA-N 1 2 549.693 4.065 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1Cl ZINC000408625719 572283611 /nfs/dbraw/zinc/28/36/11/572283611.db2.gz WVVCHUARPPUUHK-MDWZMJQESA-N 1 2 554.112 4.397 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1cccc(C)c1 ZINC000408626000 572283682 /nfs/dbraw/zinc/28/36/82/572283682.db2.gz XVHFKFZCDFIKLW-XYOKQWHBSA-N 1 2 533.694 4.365 40 0 KIABLO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408626033 572283648 /nfs/dbraw/zinc/28/36/48/572283648.db2.gz ZCTHDUCPJGYVSP-JXMROGBWSA-N 1 2 568.537 4.498 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000408626433 572283969 /nfs/dbraw/zinc/28/39/69/572283969.db2.gz XDYWRCNVZOEIQE-UHFFFAOYSA-N 1 2 624.137 4.036 40 0 KIABLO COC(=O)c1c(NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000408626433 572283967 /nfs/dbraw/zinc/28/39/67/572283967.db2.gz XDYWRCNVZOEIQE-UHFFFAOYSA-N 1 2 624.137 4.036 40 0 KIABLO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000408627297 572284404 /nfs/dbraw/zinc/28/44/04/572284404.db2.gz ZAXARHPLEMDCPJ-VMPITWQZSA-N 1 2 507.631 4.187 40 0 KIABLO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccc(C)cc2)cc1OC ZINC000408627345 572284371 /nfs/dbraw/zinc/28/43/71/572284371.db2.gz ZKOHSWNRCSNVPZ-JXMROGBWSA-N 1 2 549.693 4.065 40 0 KIABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408627372 572284411 /nfs/dbraw/zinc/28/44/11/572284411.db2.gz ZTCOMCWNVDNGRC-VMPITWQZSA-N 1 2 507.631 4.187 40 0 KIABLO Cc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408627665 572284479 /nfs/dbraw/zinc/28/44/79/572284479.db2.gz OLHPCKBWGBRXBV-RMKNXTFCSA-N 1 2 503.668 4.356 40 0 KIABLO O=C(CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408627792 572284697 /nfs/dbraw/zinc/28/46/97/572284697.db2.gz PVDVVUXMNYSERF-JXMROGBWSA-N 1 2 601.510 4.344 40 0 KIABLO CCOc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408629400 572284929 /nfs/dbraw/zinc/28/49/29/572284929.db2.gz ALUOIWILMMZHNE-FMIVXFBMSA-N 1 2 533.694 4.447 40 0 KIABLO COc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408629442 572284962 /nfs/dbraw/zinc/28/49/62/572284962.db2.gz BGVJYOTWRLBRTM-RMKNXTFCSA-N 1 2 519.667 4.057 40 0 KIABLO CCc1ccccc1N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408629803 572285331 /nfs/dbraw/zinc/28/53/31/572285331.db2.gz IEIRPFUMABARFQ-SDNWHVSQSA-N 1 2 503.668 4.302 40 0 KIABLO CCc1ccc(N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000408630433 572286178 /nfs/dbraw/zinc/28/61/78/572286178.db2.gz UODLSJVOEXGUEM-FMIVXFBMSA-N 1 2 503.668 4.302 40 0 KIABLO O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408630644 572286331 /nfs/dbraw/zinc/28/63/31/572286331.db2.gz WGCDXJZVBWFBBO-FMIVXFBMSA-N 1 2 510.059 4.393 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)C1CCCCC1 ZINC000408635726 572292732 /nfs/dbraw/zinc/29/27/32/572292732.db2.gz HUHGOLFLHBNYJQ-FMIVXFBMSA-N 1 2 525.715 4.185 40 0 KIABLO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000408635735 572292762 /nfs/dbraw/zinc/29/27/62/572292762.db2.gz IAGHTPJOJSIQIO-MDWZMJQESA-N 1 2 554.112 4.397 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408635855 572292820 /nfs/dbraw/zinc/29/28/20/572292820.db2.gz JXMZIBLNZCIYGZ-RMKNXTFCSA-N 1 2 566.123 4.323 40 0 KIABLO COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408635932 195487038 /nfs/dbraw/zinc/48/70/38/195487038.db2.gz JVGFBXPEWDUIBI-NTEUORMPSA-N 1 2 547.721 4.095 40 0 KIABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(Cl)c2)cc1 ZINC000408636133 572293078 /nfs/dbraw/zinc/29/30/78/572293078.db2.gz LMXPFUMHDGPJEI-VMPITWQZSA-N 1 2 556.084 4.386 40 0 KIABLO Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408636176 572293036 /nfs/dbraw/zinc/29/30/36/572293036.db2.gz WIAJFTYYGKAIJH-YRNVUSSQSA-N 1 2 545.705 4.373 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1 ZINC000408636272 572293131 /nfs/dbraw/zinc/29/31/31/572293131.db2.gz NFKCKPYIPWWLOD-NTEUORMPSA-N 1 2 533.694 4.134 40 0 KIABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408636530 572293388 /nfs/dbraw/zinc/29/33/88/572293388.db2.gz RSDBELJNXWNJPI-UHFFFAOYSA-N 1 2 578.474 4.246 40 0 KIABLO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C2CCCCC2)cc1 ZINC000408636673 572293539 /nfs/dbraw/zinc/29/35/39/572293539.db2.gz SNBFZQBNWZVYRA-FMIVXFBMSA-N 1 2 525.715 4.266 40 0 KIABLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)c2)cc1 ZINC000408674717 572317461 /nfs/dbraw/zinc/31/74/61/572317461.db2.gz GHPQXUJDRZNOGX-RMKNXTFCSA-N 1 2 535.666 4.041 40 0 KIABLO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)c(C)c2)cc1 ZINC000408675016 572317533 /nfs/dbraw/zinc/31/75/33/572317533.db2.gz OYSMPPCWOINEGV-JXMROGBWSA-N 1 2 549.693 4.431 40 0 KIABLO Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408675433 572318041 /nfs/dbraw/zinc/31/80/41/572318041.db2.gz IPCFVWBRBQSDOG-VMPITWQZSA-N 1 2 523.630 4.171 40 0 KIABLO Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408675991 572318396 /nfs/dbraw/zinc/31/83/96/572318396.db2.gz MMNRQOHLDMDLRK-DHZHZOJOSA-N 1 2 505.640 4.032 40 0 KIABLO Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408679183 572320380 /nfs/dbraw/zinc/32/03/80/572320380.db2.gz VGKVPIQHQQYCNL-UHFFFAOYSA-N 1 2 514.047 4.172 40 0 KIABLO