smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)ccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216932999 557162786 /nfs/dbraw/zinc/16/27/86/557162786.db2.gz ILSXTDUXOHHSTF-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO Cc1ccc(C)c(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000216934534 557163088 /nfs/dbraw/zinc/16/30/88/557163088.db2.gz WXOVIORWJDQWNX-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO Cc1ccc(Cl)cc1N(CCCC(=O)NCCC1CC[NH+](C)CC1)S(C)(=O)=O ZINC000216943523 557164606 /nfs/dbraw/zinc/16/46/06/557164606.db2.gz MFSRWEPSKPSPGQ-UHFFFAOYSA-N 1 0 430.014 3.043 40 70 IGIBRO Cc1ccc(C)c(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000216932343 557162764 /nfs/dbraw/zinc/16/27/64/557162764.db2.gz CGNPYRGSEUILMP-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO CC(C)c1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000216932534 557162819 /nfs/dbraw/zinc/16/28/19/557162819.db2.gz WURSRAHZGTXTDI-UHFFFAOYSA-N 1 0 429.586 3.216 40 70 IGIBRO Cc1cc(C)cc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000216934638 557163134 /nfs/dbraw/zinc/16/31/34/557163134.db2.gz ZHDVQPHITURSFP-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000216937884 557163892 /nfs/dbraw/zinc/16/38/92/557163892.db2.gz HANAOOCSZDFWEQ-UHFFFAOYSA-N 1 0 429.586 3.115 40 70 IGIBRO Cc1ccc(Cl)cc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216933040 557162749 /nfs/dbraw/zinc/16/27/49/557162749.db2.gz WXZGHECPTYVWMD-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1 ZINC000216933652 557163010 /nfs/dbraw/zinc/16/30/10/557163010.db2.gz DVWPLZWVYYSKBH-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2ccccc2F)cc1 ZINC000216933780 557163131 /nfs/dbraw/zinc/16/31/31/557163131.db2.gz TVYIPFNDYDURFX-UHFFFAOYSA-N 1 0 447.576 3.178 40 70 IGIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000216937116 557163634 /nfs/dbraw/zinc/16/36/34/557163634.db2.gz ZFBZXXGXFJEVQD-UHFFFAOYSA-N 1 0 447.576 3.178 40 70 IGIBRO Cc1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000216937719 557163813 /nfs/dbraw/zinc/16/38/13/557163813.db2.gz AHRRIZUESGLTNA-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1 ZINC000216938232 557163819 /nfs/dbraw/zinc/16/38/19/557163819.db2.gz XPFPPXLSZDKHOO-UHFFFAOYSA-N 1 0 429.586 3.282 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1 ZINC000217022632 557167229 /nfs/dbraw/zinc/16/72/29/557167229.db2.gz LJINVPQJCATVEC-UHFFFAOYSA-N 1 0 437.949 3.437 40 70 IGIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000216932437 557162757 /nfs/dbraw/zinc/16/27/57/557162757.db2.gz PTVAJJMLXXPQPO-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC3CC[NH+](C)CC3)c2)CC1 ZINC000216945194 557164938 /nfs/dbraw/zinc/16/49/38/557164938.db2.gz UBAGYIRGAZKTOM-UHFFFAOYSA-N 1 0 442.025 3.222 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)cc2)CC1 ZINC000217021588 557166734 /nfs/dbraw/zinc/16/67/34/557166734.db2.gz NXSWZWDLMRRSBY-UHFFFAOYSA-N 1 0 437.949 3.437 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)CC1 ZINC000217022183 557167276 /nfs/dbraw/zinc/16/72/76/557167276.db2.gz IDSDQUKLAXGCRD-UHFFFAOYSA-N 1 0 437.949 3.437 40 70 IGIBRO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2)cc1 ZINC000218646256 557212101 /nfs/dbraw/zinc/21/21/01/557212101.db2.gz XOIRPCORMIFIJQ-UHFFFAOYSA-N 1 0 433.599 3.058 40 70 IGIBRO Cc1cccc(N(Cc2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1 ZINC000216943836 557164603 /nfs/dbraw/zinc/16/46/03/557164603.db2.gz LXRJLOHEWSABQK-UHFFFAOYSA-N 1 0 443.613 3.423 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2ccccc2C)cc1 ZINC000216933309 557162815 /nfs/dbraw/zinc/16/28/15/557162815.db2.gz MMMHMEZGCNEBOO-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1ccc(N([C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216939354 557163847 /nfs/dbraw/zinc/16/38/47/557163847.db2.gz HBEIAKNVQBJWKY-GOSISDBHSA-N 1 0 445.585 3.261 40 70 IGIBRO CCN(c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000218646366 557212119 /nfs/dbraw/zinc/21/21/19/557212119.db2.gz FSOIDKLDJCDFDM-UHFFFAOYSA-N 1 0 447.626 3.448 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2cc(C)cc(C)c2)cc1 ZINC000216933507 557162692 /nfs/dbraw/zinc/16/26/92/557162692.db2.gz HFFFPJTZNSDGER-UHFFFAOYSA-N 1 0 429.586 3.018 40 70 IGIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000216933416 557162782 /nfs/dbraw/zinc/16/27/82/557162782.db2.gz YCVDYSRBFONENU-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1ccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c(C)c1 ZINC000216934426 557163114 /nfs/dbraw/zinc/16/31/14/557163114.db2.gz BJTQVFBAJVMLNG-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO CSc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1C(=O)N1CCCCC1 ZINC000217017041 557166946 /nfs/dbraw/zinc/16/69/46/557166946.db2.gz TWETVCZNWAZOHL-UHFFFAOYSA-N 1 0 439.647 3.045 40 70 IGIBRO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(C)c2)cc1C ZINC000216836999 557157334 /nfs/dbraw/zinc/15/73/34/557157334.db2.gz GJZLZLRQCIGAQK-UHFFFAOYSA-N 1 0 445.585 3.002 40 70 IGIBRO CCc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000216937308 557163532 /nfs/dbraw/zinc/16/35/32/557163532.db2.gz NWVXRBOOLBUYRI-UHFFFAOYSA-N 1 0 443.613 3.292 40 70 IGIBRO Cc1ccccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000216939759 557164341 /nfs/dbraw/zinc/16/43/41/557164341.db2.gz RFOLFDZBQSLVOH-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000216942239 557164556 /nfs/dbraw/zinc/16/45/56/557164556.db2.gz YTGUSIDXGRCCCL-UHFFFAOYSA-N 1 0 431.558 3.198 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2cc(C)ccc2C)cc1 ZINC000216933477 557162883 /nfs/dbraw/zinc/16/28/83/557162883.db2.gz CQQQEIDYEGMOQK-UHFFFAOYSA-N 1 0 429.586 3.018 40 70 IGIBRO CC[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000217015685 557166931 /nfs/dbraw/zinc/16/69/31/557166931.db2.gz MXFUMBWYDDNMEO-JOCHJYFZSA-N 1 0 445.585 3.343 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(NC(=O)CCCN(c3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000217035631 557167253 /nfs/dbraw/zinc/16/72/53/557167253.db2.gz OWBGNUFXQCYHMV-UHFFFAOYSA-N 1 0 445.585 3.345 40 70 IGIBRO COc1ccc(CCNC(=O)c2ccccc2NC(=O)CC2CC[NH+](C)CC2)cc1OC ZINC000216896569 557162402 /nfs/dbraw/zinc/16/24/02/557162402.db2.gz KODLVAQBYUTCSN-UHFFFAOYSA-N 1 0 439.556 3.347 40 70 IGIBRO CC[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000217015642 557166900 /nfs/dbraw/zinc/16/69/00/557166900.db2.gz MXFUMBWYDDNMEO-QFIPXVFZSA-N 1 0 445.585 3.343 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)s3)cc2)CC1 ZINC000216938305 557163911 /nfs/dbraw/zinc/16/39/11/557163911.db2.gz VBEQINSDOLZASS-UHFFFAOYSA-N 1 0 445.404 3.462 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000216933241 557162840 /nfs/dbraw/zinc/16/28/40/557162840.db2.gz DXXFIXROEVRVKQ-UHFFFAOYSA-N 1 0 429.586 3.038 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(C)cc2C)cc1 ZINC000216933447 557162796 /nfs/dbraw/zinc/16/27/96/557162796.db2.gz SLINKSFGKXYABU-UHFFFAOYSA-N 1 0 429.586 3.018 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000216943742 557164685 /nfs/dbraw/zinc/16/46/85/557164685.db2.gz DLSGELWHRBVOTG-UHFFFAOYSA-N 1 0 447.576 3.254 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000216938918 557163895 /nfs/dbraw/zinc/16/38/95/557163895.db2.gz LQEZHZXFOGQMJL-UHFFFAOYSA-N 1 0 429.586 3.282 40 70 IGIBRO CCN(c1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1)S(C)(=O)=O ZINC000216949498 557165006 /nfs/dbraw/zinc/16/50/06/557165006.db2.gz OPMPUWREGPWOQD-UHFFFAOYSA-N 1 0 431.558 3.198 40 70 IGIBRO Cc1cccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000216932250 557162861 /nfs/dbraw/zinc/16/28/61/557162861.db2.gz VFKSKVZUCIHQDL-UHFFFAOYSA-N 1 0 429.586 3.038 40 70 IGIBRO Cc1ccc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000216932311 557162876 /nfs/dbraw/zinc/16/28/76/557162876.db2.gz JOLNKGAXRIUOOM-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000216933819 557163064 /nfs/dbraw/zinc/16/30/64/557163064.db2.gz BAVNGXOMAHMFGV-UHFFFAOYSA-N 1 0 447.576 3.178 40 70 IGIBRO Cc1cccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000216939786 557164316 /nfs/dbraw/zinc/16/43/16/557164316.db2.gz XDZCOLPWSLRRKQ-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000216939805 557164376 /nfs/dbraw/zinc/16/43/76/557164376.db2.gz PWCTWESPZXHTOA-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO CN1c2ccc(Cl)cc2C(c2ccccc2)=C(C(=O)NC2CC[NH+](C)CC2)S1(=O)=O ZINC000217030881 557167237 /nfs/dbraw/zinc/16/72/37/557167237.db2.gz HEWLRCWXSPOZLQ-UHFFFAOYSA-N 1 0 445.972 3.089 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000216943782 557164674 /nfs/dbraw/zinc/16/46/74/557164674.db2.gz BKCSIUITHDMVGH-UHFFFAOYSA-N 1 0 447.576 3.254 40 70 IGIBRO CCc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216932500 557162811 /nfs/dbraw/zinc/16/28/11/557162811.db2.gz HUBHOXVJGZEOLL-UHFFFAOYSA-N 1 0 443.613 3.292 40 70 IGIBRO Cc1cccc(C)c1N(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216936373 557163461 /nfs/dbraw/zinc/16/34/61/557163461.db2.gz ZVRRECOAFPYZJK-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO CCc1ccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216937579 557163880 /nfs/dbraw/zinc/16/38/80/557163880.db2.gz HGLYNQUGKHIPDR-UHFFFAOYSA-N 1 0 445.585 3.127 40 70 IGIBRO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)C2CCCCC2)c(C)c1 ZINC000216808907 557156207 /nfs/dbraw/zinc/15/62/07/557156207.db2.gz RXDLKBBFYKVYRY-UHFFFAOYSA-N 1 0 435.634 3.146 40 70 IGIBRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H](O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC000217432221 557168883 /nfs/dbraw/zinc/16/88/83/557168883.db2.gz RVDSIYWSIMQRIE-ZRBLBEILSA-N 1 0 446.547 3.286 40 70 IGIBRO O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000217563670 557171439 /nfs/dbraw/zinc/17/14/39/557171439.db2.gz PJVKHLYIIQDCEK-SVMVAKDDSA-N 1 0 449.551 3.033 40 70 IGIBRO Cc1c(Cl)cccc1N(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216933068 557162865 /nfs/dbraw/zinc/16/28/65/557162865.db2.gz NTLFMXPZFAWDJM-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO C[C@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000216942415 557164638 /nfs/dbraw/zinc/16/46/38/557164638.db2.gz BLLJZXNYGHXEBT-MRXNPFEDSA-N 1 0 449.548 3.092 40 70 IGIBRO C[C@@H](C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000216942397 557164724 /nfs/dbraw/zinc/16/47/24/557164724.db2.gz BLLJZXNYGHXEBT-INIZCTEOSA-N 1 0 449.548 3.092 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)CC1 ZINC000216945146 557165153 /nfs/dbraw/zinc/16/51/53/557165153.db2.gz GHODXAFTVNCKPK-UHFFFAOYSA-N 1 0 442.025 3.366 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)CC1 ZINC000216937238 557163622 /nfs/dbraw/zinc/16/36/22/557163622.db2.gz PFANFEBIYPRMPE-UHFFFAOYSA-N 1 0 429.586 3.115 40 70 IGIBRO Cc1ccccc1CN(c1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216938197 557163943 /nfs/dbraw/zinc/16/39/43/557163943.db2.gz FICMCGQOYVNGSR-UHFFFAOYSA-N 1 0 443.613 3.423 40 70 IGIBRO C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000216941242 557164279 /nfs/dbraw/zinc/16/42/79/557164279.db2.gz SBGRSKFYYUBNTF-UHFFFAOYSA-N 1 0 439.375 3.401 40 70 IGIBRO Cc1ccccc1N(CC(=O)NCCC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000216932207 557162463 /nfs/dbraw/zinc/16/24/63/557162463.db2.gz LUDOHLJYNZXEIB-UHFFFAOYSA-N 1 0 429.586 3.038 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)c2ccc(C)c(C)c2)cc1 ZINC000216933538 557162889 /nfs/dbraw/zinc/16/28/89/557162889.db2.gz RWNQOFKNYFXICM-UHFFFAOYSA-N 1 0 429.586 3.018 40 70 IGIBRO C[NH+]1CCC(CCNC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1 ZINC000216936467 557163407 /nfs/dbraw/zinc/16/34/07/557163407.db2.gz CSHMXOWAXZIWBC-UHFFFAOYSA-N 1 0 445.585 3.093 40 70 IGIBRO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2)c(C)c1 ZINC000216806233 557156203 /nfs/dbraw/zinc/15/62/03/557156203.db2.gz OVSVFAINZLYVHK-UHFFFAOYSA-N 1 0 443.613 3.013 40 70 IGIBRO CCc1ccccc1N(CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000216934863 557163097 /nfs/dbraw/zinc/16/30/97/557163097.db2.gz PPNCJVQHCZOPRT-UHFFFAOYSA-N 1 0 445.585 3.127 40 70 IGIBRO Cc1ccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1C ZINC000216934762 557163186 /nfs/dbraw/zinc/16/31/86/557163186.db2.gz ARWNHKHSCHLZJY-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO Cc1ccc(CN(c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216937924 557163920 /nfs/dbraw/zinc/16/39/20/557163920.db2.gz SAPVRIPOYVUDHI-UHFFFAOYSA-N 1 0 443.613 3.423 40 70 IGIBRO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@@H](O)COc2ccc(OCc3ccccc3)cc2)C1 ZINC000217432302 557169283 /nfs/dbraw/zinc/16/92/83/557169283.db2.gz RVDSIYWSIMQRIE-YTFSRNRJSA-N 1 0 446.547 3.286 40 70 IGIBRO Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000216939330 557163832 /nfs/dbraw/zinc/16/38/32/557163832.db2.gz HBEIAKNVQBJWKY-SFHVURJKSA-N 1 0 445.585 3.261 40 70 IGIBRO Cc1cc(C)cc(N(CC(=O)NCCC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000216932378 557162806 /nfs/dbraw/zinc/16/28/06/557162806.db2.gz DJDIPNQCWTZLNF-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1ccc(N(CC(=O)NC2CC[NH+](C)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000216933099 557162849 /nfs/dbraw/zinc/16/28/49/557162849.db2.gz MJHNHFKJRXLXDO-UHFFFAOYSA-N 1 0 435.977 3.054 40 70 IGIBRO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC2CC[NH+](C)CC2)c2cccc(C)c2)cc1 ZINC000216933374 557162872 /nfs/dbraw/zinc/16/28/72/557162872.db2.gz UDMBSTHMFPTOBM-UHFFFAOYSA-N 1 0 443.613 3.347 40 70 IGIBRO Cc1cccc(N(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)S(C)(=O)=O)c1C ZINC000216936717 557163492 /nfs/dbraw/zinc/16/34/92/557163492.db2.gz DMIKKPWWUDGOJG-UHFFFAOYSA-N 1 0 445.585 3.181 40 70 IGIBRO