smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)Nc2ccc(I)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216784572 571597853 /nfs/dbraw/zinc/59/78/53/571597853.db2.gz QJEVAYPIVJQOBI-UHFFFAOYSA-N 1 2 515.373 2.488 40 70 KEIBLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(I)cc1 ZINC000216787579 571597760 /nfs/dbraw/zinc/59/77/60/571597760.db2.gz MVBMCUGZERYBNA-UHFFFAOYSA-N 1 2 515.373 2.488 40 70 KEIBLO CNS(=O)(=O)c1cc(C(=O)Nc2ccc(I)cc2)ccc1N1CC[NH+](C)CC1 ZINC000216790766 571597739 /nfs/dbraw/zinc/59/77/39/571597739.db2.gz TVRQBSYOWJPXLL-UHFFFAOYSA-N 1 2 514.389 2.203 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216797101 571597845 /nfs/dbraw/zinc/59/78/45/571597845.db2.gz CQKIVXYIVFVQRG-UHFFFAOYSA-N 1 2 542.683 2.452 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(CCc3ccccc3)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216797287 571597735 /nfs/dbraw/zinc/59/77/35/571597735.db2.gz HQKRBULCAHVIOH-UHFFFAOYSA-N 1 2 556.710 2.495 40 70 KEIBLO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1 ZINC000216800293 571598028 /nfs/dbraw/zinc/59/80/28/571598028.db2.gz DEZVOOZQEGHCKO-UHFFFAOYSA-N 1 2 572.709 2.461 40 70 KEIBLO COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)Cc2ccccc2)cc1OC ZINC000216800650 571597905 /nfs/dbraw/zinc/59/79/05/571597905.db2.gz NJSRFROZCDBBMH-UHFFFAOYSA-N 1 2 602.735 2.470 40 70 KEIBLO COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000216801018 571598003 /nfs/dbraw/zinc/59/80/03/571598003.db2.gz CXUZXLFAWJMAMF-UHFFFAOYSA-N 1 2 618.734 2.483 40 70 KEIBLO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000216807125 571598523 /nfs/dbraw/zinc/59/85/23/571598523.db2.gz FJQRQBYCBWXNNW-UHFFFAOYSA-N 1 2 535.475 2.189 40 70 KEIBLO CN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000216809203 571598456 /nfs/dbraw/zinc/59/84/56/571598456.db2.gz HTSDHXCQLFYDPN-UHFFFAOYSA-N 1 2 516.645 2.035 40 70 KEIBLO CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000216812367 571598592 /nfs/dbraw/zinc/59/85/92/571598592.db2.gz IOERJFALQXZVPK-UHFFFAOYSA-N 1 2 559.508 2.035 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CN(Cc3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)CC1 ZINC000216814616 571598769 /nfs/dbraw/zinc/59/87/69/571598769.db2.gz WYPNTUPOBSXOMA-UHFFFAOYSA-N 1 2 549.502 2.330 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000216815643 571598718 /nfs/dbraw/zinc/59/87/18/571598718.db2.gz GOGOQTADKCUESV-UHFFFAOYSA-N 1 2 559.110 2.324 40 70 KEIBLO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216818782 571599067 /nfs/dbraw/zinc/59/90/67/571599067.db2.gz BQGFFCDPNPLVFR-SANMLTNESA-N 1 2 556.710 2.459 40 70 KEIBLO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216818821 571599098 /nfs/dbraw/zinc/59/90/98/571599098.db2.gz BQGFFCDPNPLVFR-AREMUKBSSA-N 1 2 556.710 2.459 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216819568 571599084 /nfs/dbraw/zinc/59/90/84/571599084.db2.gz KMHREFIUGPSWDS-RUZDIDTESA-N 1 2 542.683 2.151 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000216819601 571599082 /nfs/dbraw/zinc/59/90/82/571599082.db2.gz KMHREFIUGPSWDS-VWLOTQADSA-N 1 2 542.683 2.151 40 70 KEIBLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1OC ZINC000216820092 571598940 /nfs/dbraw/zinc/59/89/40/571598940.db2.gz XDZWITRSRCNRNA-VWLOTQADSA-N 1 2 602.735 2.168 40 70 KEIBLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1OC ZINC000216820122 571598922 /nfs/dbraw/zinc/59/89/22/571598922.db2.gz XDZWITRSRCNRNA-RUZDIDTESA-N 1 2 602.735 2.168 40 70 KEIBLO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216820617 571598999 /nfs/dbraw/zinc/59/89/99/571598999.db2.gz ZSGFAKSUFASOBK-VWLOTQADSA-N 1 2 586.736 2.468 40 70 KEIBLO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216820653 571599088 /nfs/dbraw/zinc/59/90/88/571599088.db2.gz ZSGFAKSUFASOBK-RUZDIDTESA-N 1 2 586.736 2.468 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000216820864 571599055 /nfs/dbraw/zinc/59/90/55/571599055.db2.gz AUXVNKHMETXENO-RUZDIDTESA-N 1 2 560.673 2.290 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000216820901 571599096 /nfs/dbraw/zinc/59/90/96/571599096.db2.gz AUXVNKHMETXENO-VWLOTQADSA-N 1 2 560.673 2.290 40 70 KEIBLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216821124 571598966 /nfs/dbraw/zinc/59/89/66/571598966.db2.gz AFAXXWOFRXCHAX-SANMLTNESA-N 1 2 586.736 2.468 40 70 KEIBLO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C ZINC000216821165 571599078 /nfs/dbraw/zinc/59/90/78/571599078.db2.gz AFAXXWOFRXCHAX-AREMUKBSSA-N 1 2 586.736 2.468 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000216821724 571599069 /nfs/dbraw/zinc/59/90/69/571599069.db2.gz JELHVEAWNLWNNO-UHFFFAOYSA-N 1 2 541.095 2.316 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)cc2)CC1 ZINC000216821873 571599228 /nfs/dbraw/zinc/59/92/28/571599228.db2.gz YLMUGKFZDPRHHR-UHFFFAOYSA-N 1 2 585.546 2.425 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000216822790 571599250 /nfs/dbraw/zinc/59/92/50/571599250.db2.gz ORXVZNQXHQBJNQ-GOSISDBHSA-N 1 2 541.095 2.316 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)cc2)CC1 ZINC000216822826 571599264 /nfs/dbraw/zinc/59/92/64/571599264.db2.gz ORXVZNQXHQBJNQ-SFHVURJKSA-N 1 2 541.095 2.316 40 70 KEIBLO COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1Cl ZINC000216823143 571599248 /nfs/dbraw/zinc/59/92/48/571599248.db2.gz YAIROGAUSDRKJZ-UHFFFAOYSA-N 1 2 571.121 2.324 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC000216823831 571599238 /nfs/dbraw/zinc/59/92/38/571599238.db2.gz OFDDHNYEICCZCK-GOSISDBHSA-N 1 2 585.546 2.425 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Br)cc4)C3)cc2)CC1 ZINC000216823869 571599220 /nfs/dbraw/zinc/59/92/20/571599220.db2.gz OFDDHNYEICCZCK-SFHVURJKSA-N 1 2 585.546 2.425 40 70 KEIBLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1Cl ZINC000216824522 571599279 /nfs/dbraw/zinc/59/92/79/571599279.db2.gz RUGTVMAHXYJUSY-GOSISDBHSA-N 1 2 571.121 2.324 40 70 KEIBLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1Cl ZINC000216824556 571599260 /nfs/dbraw/zinc/59/92/60/571599260.db2.gz RUGTVMAHXYJUSY-SFHVURJKSA-N 1 2 571.121 2.324 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1 ZINC000216826591 571599558 /nfs/dbraw/zinc/59/95/58/571599558.db2.gz VMAJTMLYRDYLCW-UHFFFAOYSA-N 1 2 550.703 2.061 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)CC2)cc1C ZINC000216826750 571599470 /nfs/dbraw/zinc/59/94/70/571599470.db2.gz YDNDTWBPQFSYBQ-UHFFFAOYSA-N 1 2 564.730 2.369 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216827108 571599415 /nfs/dbraw/zinc/59/94/15/571599415.db2.gz DYAWBWPVGAEMSY-HXUWFJFHSA-N 1 2 550.703 2.061 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1 ZINC000216827139 571599581 /nfs/dbraw/zinc/59/95/81/571599581.db2.gz DYAWBWPVGAEMSY-FQEVSTJZSA-N 1 2 550.703 2.061 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1C ZINC000216827366 571599481 /nfs/dbraw/zinc/59/94/81/571599481.db2.gz NEZLGNDQBLSSRI-OAQYLSRUSA-N 1 2 564.730 2.369 40 70 KEIBLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)C2)cc1C ZINC000216827405 571599609 /nfs/dbraw/zinc/59/96/09/571599609.db2.gz NEZLGNDQBLSSRI-NRFANRHFSA-N 1 2 564.730 2.369 40 70 KEIBLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000216827561 571599513 /nfs/dbraw/zinc/59/95/13/571599513.db2.gz JDSFXHIBPMNITJ-UHFFFAOYSA-N 1 2 571.121 2.324 40 70 KEIBLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216827795 571599444 /nfs/dbraw/zinc/59/94/44/571599444.db2.gz UBAPPDDZVVIXMP-GOSISDBHSA-N 1 2 571.121 2.324 40 70 KEIBLO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000216827827 571599502 /nfs/dbraw/zinc/59/95/02/571599502.db2.gz UBAPPDDZVVIXMP-SFHVURJKSA-N 1 2 571.121 2.324 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCCC4)cc3)cc2)CC1 ZINC000216829398 571599753 /nfs/dbraw/zinc/59/97/53/571599753.db2.gz ADNZIEVOHFMQEH-UHFFFAOYSA-N 1 2 550.703 2.251 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)NCCc4ccccc4)cc3)cc2)CC1 ZINC000216829718 571599739 /nfs/dbraw/zinc/59/97/39/571599739.db2.gz OFUYHHSUBKHCOP-UHFFFAOYSA-N 1 2 572.709 2.161 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)NCc4ccccc4)cc3)cc2)CC1 ZINC000216830419 571599810 /nfs/dbraw/zinc/59/98/10/571599810.db2.gz FUVMEDFJTSLTPH-UHFFFAOYSA-N 1 2 558.682 2.119 40 70 KEIBLO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216831078 571599760 /nfs/dbraw/zinc/59/97/60/571599760.db2.gz IVZFBXAENWCJFQ-UHFFFAOYSA-N 1 2 572.709 2.461 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)Nc4ccccc4)cc3)cc2)CC1 ZINC000216831370 571599743 /nfs/dbraw/zinc/59/97/43/571599743.db2.gz GTQORGPBKRAYDZ-UHFFFAOYSA-N 1 2 544.655 2.441 40 70 KEIBLO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)cc1 ZINC000216832239 571599831 /nfs/dbraw/zinc/59/98/31/571599831.db2.gz WEEKOIAXWVTUFU-UHFFFAOYSA-N 1 2 574.681 2.450 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCc5ccccc54)cc3)cc2)CC1 ZINC000216833160 571599994 /nfs/dbraw/zinc/59/99/94/571599994.db2.gz QKBFDLVYBIFGCO-UHFFFAOYSA-N 1 2 570.693 2.392 40 70 KEIBLO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)c1 ZINC000216833920 571600148 /nfs/dbraw/zinc/60/01/48/571600148.db2.gz MUADJIQKKVWKQT-UHFFFAOYSA-N 1 2 574.681 2.450 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc2)CC1 ZINC000216834493 571600026 /nfs/dbraw/zinc/60/00/26/571600026.db2.gz QYTLNKKIMYYLNE-UHFFFAOYSA-N 1 2 550.703 2.205 40 70 KEIBLO CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(S(=O)(=O)N4CC[NH+](C)CC4)cc3)cc2)CC1 ZINC000216834634 571599962 /nfs/dbraw/zinc/59/99/62/571599962.db2.gz SABGBCHFWPZKBU-UHFFFAOYSA-N 1 2 550.703 2.061 40 70 KEIBLO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835631 571600051 /nfs/dbraw/zinc/60/00/51/571600051.db2.gz BBAJXWHHLQUZBK-UHFFFAOYSA-N 1 2 572.709 2.427 40 70 KEIBLO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000216835931 571599938 /nfs/dbraw/zinc/59/99/38/571599938.db2.gz QJGBEEGIFOANNL-UHFFFAOYSA-N 1 2 550.703 2.123 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)COc3ccc(S(=O)(=O)N4CCCCC4)cc3Cl)cc2)CC1 ZINC000216837660 571600275 /nfs/dbraw/zinc/60/02/75/571600275.db2.gz SYTQIVOHUALTOE-UHFFFAOYSA-N 1 2 571.121 2.468 40 70 KEIBLO CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)c(Cl)c1 ZINC000216838774 571600239 /nfs/dbraw/zinc/60/02/39/571600239.db2.gz AOOHXZGUGMVXJR-UHFFFAOYSA-N 1 2 559.110 2.372 40 70 KEIBLO CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216839050 571600403 /nfs/dbraw/zinc/60/04/03/571600403.db2.gz APVOETTXHPPZHJ-UHFFFAOYSA-N 1 2 522.693 2.128 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC(C)(C)C)cc3)cc2)CC1 ZINC000216839959 571600253 /nfs/dbraw/zinc/60/02/53/571600253.db2.gz NYBQQYDGQZIAPH-UHFFFAOYSA-N 1 2 522.693 2.271 40 70 KEIBLO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000216840600 571600308 /nfs/dbraw/zinc/60/03/08/571600308.db2.gz UVVKHGCOLKNHDL-UHFFFAOYSA-N 1 2 522.693 2.225 40 70 KEIBLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)CCc3ccc(S(=O)(=O)N4CCCCC4)cc3)cc2)CC1 ZINC000216840798 571600334 /nfs/dbraw/zinc/60/03/34/571600334.db2.gz RFUIIWOBCHEIQX-UHFFFAOYSA-N 1 2 534.704 2.369 40 70 KEIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCc1ccccc1 ZINC000216841642 571600583 /nfs/dbraw/zinc/60/05/83/571600583.db2.gz FYGOHXBJQQUWHM-UHFFFAOYSA-N 1 2 558.682 2.362 40 70 KEIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCCC1 ZINC000216841963 571600538 /nfs/dbraw/zinc/60/05/38/571600538.db2.gz WTZDYHRENGLUSQ-UHFFFAOYSA-N 1 2 536.676 2.058 40 70 KEIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000216842349 571600600 /nfs/dbraw/zinc/60/06/00/571600600.db2.gz WDJSGGJNPARHED-UHFFFAOYSA-N 1 2 550.703 2.448 40 70 KEIBLO COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000216842480 571600554 /nfs/dbraw/zinc/60/05/54/571600554.db2.gz ZCCFJMSUVKNNPL-UHFFFAOYSA-N 1 2 572.709 2.405 40 70 KEIBLO COc1cc(C[C@]2(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000217438880 571601531 /nfs/dbraw/zinc/60/15/31/571601531.db2.gz JSEBBAKNTGQLMM-NOUQMAPCSA-N 1 2 542.592 2.494 40 70 KEIBLO COc1cc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1O ZINC000217438880 571601529 /nfs/dbraw/zinc/60/15/29/571601529.db2.gz JSEBBAKNTGQLMM-NOUQMAPCSA-N 1 2 542.592 2.494 40 70 KEIBLO