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CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c1nc(C#Cc1ccccc1)nc3NCCc1ccc(S(=O)(=O)[O-])cc1)[C@H](O)[C@@H]2O ZINC000096273098 562794400 /nfs/dbraw/zinc/79/44/00/562794400.db2.gz CWXDUDVELGRJRG-YUBGWGQWSA-N -1 0 588.646 1.156 1 30 KDEFRM CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc1ccn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)n1 ZINC000096903774 562798052 /nfs/dbraw/zinc/79/80/52/562798052.db2.gz ZCPGQVCRMHASEK-PGJDGTSESA-N -1 0 582.695 1.844 1 30 KDEFRM CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NS(=O)(=O)c3ccc(/N=C4/SC(=O)CN4Cc4ccccc4)cc3)[C@H]2SC1 ZINC000096935494 562804133 /nfs/dbraw/zinc/80/41/33/562804133.db2.gz PRFRKMJQOATLMY-UCSVRSBZSA-N -1 0 616.699 1.914 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccccc4)[C@H]3[C@H](O)[C@@H]12 ZINC000100753995 562807396 /nfs/dbraw/zinc/80/73/96/562807396.db2.gz IBCXTZMHDXWPGW-SBPOKIJDSA-N -1 0 552.605 1.268 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccccc4)[C@H]3[C@H](O)[C@H]12 ZINC000100753999 562807419 /nfs/dbraw/zinc/80/74/19/562807419.db2.gz IBCXTZMHDXWPGW-XOTBRKJASA-N -1 0 552.605 1.268 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccccc4)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754006 562807338 /nfs/dbraw/zinc/80/73/38/562807338.db2.gz IBCXTZMHDXWPGW-XYQFFVNOSA-N -1 0 552.605 1.268 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccccc4)[C@@H]3[C@H](O)[C@H]12 ZINC000100754010 562807431 /nfs/dbraw/zinc/80/74/31/562807431.db2.gz IBCXTZMHDXWPGW-XGONBWKDSA-N -1 0 552.605 1.268 1 30 KDEFRM CCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000100754055 562807342 /nfs/dbraw/zinc/80/73/42/562807342.db2.gz AXVDAFVBOYJDPC-ABQFALFBSA-N -1 0 532.615 1.166 1 30 KDEFRM CCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000100754062 562807407 /nfs/dbraw/zinc/80/74/07/562807407.db2.gz AXVDAFVBOYJDPC-VAUOWGLBSA-N -1 0 532.615 1.166 1 30 KDEFRM CCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000100754068 562807427 /nfs/dbraw/zinc/80/74/27/562807427.db2.gz AXVDAFVBOYJDPC-XZFDCYQZSA-N -1 0 532.615 1.166 1 30 KDEFRM CCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000100754072 562807392 /nfs/dbraw/zinc/80/73/92/562807392.db2.gz AXVDAFVBOYJDPC-YVVISMRHSA-N -1 0 532.615 1.166 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccccc4)[C@H]3[C@H](O)[C@@H]12 ZINC000100754085 562807363 /nfs/dbraw/zinc/80/73/63/562807363.db2.gz RQFVKESTPDNSQF-SWHKYAELSA-N -1 0 566.632 1.409 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccccc4)[C@H]3[C@H](O)[C@H]12 ZINC000100754089 562807423 /nfs/dbraw/zinc/80/74/23/562807423.db2.gz RQFVKESTPDNSQF-WJBMPOMYSA-N -1 0 566.632 1.409 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccccc4)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754092 562807435 /nfs/dbraw/zinc/80/74/35/562807435.db2.gz RQFVKESTPDNSQF-PHQIYCKQSA-N -1 0 566.632 1.409 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSCc4ccccc4)[C@@H]3[C@H](O)[C@H]12 ZINC000100754099 562807446 /nfs/dbraw/zinc/80/74/46/562807446.db2.gz RQFVKESTPDNSQF-JUUUHTCISA-N -1 0 566.632 1.409 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCCC4)[C@H]3[C@H](O)[C@@H]12 ZINC000100754106 562807374 /nfs/dbraw/zinc/80/73/74/562807374.db2.gz HYCVENHJHWGJDJ-SBPOKIJDSA-N -1 0 558.653 1.542 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000100754112 562807388 /nfs/dbraw/zinc/80/73/88/562807388.db2.gz HYCVENHJHWGJDJ-XOTBRKJASA-N -1 0 558.653 1.542 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCCC4)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754119 562807411 /nfs/dbraw/zinc/80/74/11/562807411.db2.gz HYCVENHJHWGJDJ-XYQFFVNOSA-N -1 0 558.653 1.542 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCCC4)[C@@H]3[C@H](O)[C@H]12 ZINC000100754126 562807370 /nfs/dbraw/zinc/80/73/70/562807370.db2.gz HYCVENHJHWGJDJ-XGONBWKDSA-N -1 0 558.653 1.542 1 30 KDEFRM COc1ccc(SC[C@H]2c3cccc(O)c3C([O-])=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4[C@@H](O)[C@@H]32)cc1 ZINC000100754194 562807487 /nfs/dbraw/zinc/80/74/87/562807487.db2.gz GPNZCSGRGOIAPN-SWHKYAELSA-N -1 0 582.631 1.433 1 30 KDEFRM COc1ccc(SC[C@H]2c3cccc(O)c3C([O-])=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]4[C@@H](O)[C@@H]32)cc1 ZINC000100754196 562807473 /nfs/dbraw/zinc/80/74/73/562807473.db2.gz GPNZCSGRGOIAPN-WJBMPOMYSA-N -1 0 582.631 1.433 1 30 KDEFRM COc1ccc(SC[C@H]2c3cccc(O)c3C([O-])=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4[C@@H](O)[C@H]32)cc1 ZINC000100754199 562807555 /nfs/dbraw/zinc/80/75/55/562807555.db2.gz GPNZCSGRGOIAPN-PHQIYCKQSA-N -1 0 582.631 1.433 1 30 KDEFRM COc1ccc(SC[C@H]2c3cccc(O)c3C([O-])=C3C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]4[C@@H](O)[C@H]32)cc1 ZINC000100754203 562807541 /nfs/dbraw/zinc/80/75/41/562807541.db2.gz GPNZCSGRGOIAPN-JUUUHTCISA-N -1 0 582.631 1.433 1 30 KDEFRM CCCCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000100754205 562807534 /nfs/dbraw/zinc/80/75/34/562807534.db2.gz FNOFKXPIODZCGQ-XYQFFVNOSA-N -1 0 560.669 1.946 1 30 KDEFRM CCCCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000100754210 562807510 /nfs/dbraw/zinc/80/75/10/562807510.db2.gz FNOFKXPIODZCGQ-XGONBWKDSA-N -1 0 560.669 1.946 1 30 KDEFRM CCCCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000100754212 562807494 /nfs/dbraw/zinc/80/74/94/562807494.db2.gz FNOFKXPIODZCGQ-SBPOKIJDSA-N -1 0 560.669 1.946 1 30 KDEFRM CCCCCCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000100754215 562807522 /nfs/dbraw/zinc/80/75/22/562807522.db2.gz FNOFKXPIODZCGQ-XOTBRKJASA-N -1 0 560.669 1.946 1 30 KDEFRM CC(C)CCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000100754216 562807476 /nfs/dbraw/zinc/80/74/76/562807476.db2.gz ACIHDBXDAVSHPZ-SWOHQMPDSA-N -1 0 546.642 1.412 1 30 KDEFRM CC(C)CCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000100754219 562807469 /nfs/dbraw/zinc/80/74/69/562807469.db2.gz ACIHDBXDAVSHPZ-UESCUMHFSA-N -1 0 546.642 1.412 1 30 KDEFRM CC(C)CCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000100754222 562807450 /nfs/dbraw/zinc/80/74/50/562807450.db2.gz ACIHDBXDAVSHPZ-FZDVZKAVSA-N -1 0 546.642 1.412 1 30 KDEFRM CC(C)CCSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000100754227 562807514 /nfs/dbraw/zinc/80/75/14/562807514.db2.gz ACIHDBXDAVSHPZ-HBYADBGTSA-N -1 0 546.642 1.412 1 30 KDEFRM CC(C)CSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000100754232 562807506 /nfs/dbraw/zinc/80/75/06/562807506.db2.gz KZESLXRHSKLLBC-ABQFALFBSA-N -1 0 532.615 1.022 1 30 KDEFRM CC(C)CSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000100754234 562807530 /nfs/dbraw/zinc/80/75/30/562807530.db2.gz KZESLXRHSKLLBC-VAUOWGLBSA-N -1 0 532.615 1.022 1 30 KDEFRM CC(C)CSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000100754242 562807461 /nfs/dbraw/zinc/80/74/61/562807461.db2.gz KZESLXRHSKLLBC-XZFDCYQZSA-N -1 0 532.615 1.022 1 30 KDEFRM CC(C)CSC[C@H]1c2cccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000100754246 562807498 /nfs/dbraw/zinc/80/74/98/562807498.db2.gz KZESLXRHSKLLBC-YVVISMRHSA-N -1 0 532.615 1.022 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCC4)[C@H]3[C@H](O)[C@@H]12 ZINC000100754267 562807457 /nfs/dbraw/zinc/80/74/57/562807457.db2.gz CDXAKQAOVGJCNF-FZDVZKAVSA-N -1 0 544.626 1.152 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCC4)[C@H]3[C@H](O)[C@H]12 ZINC000100754272 562807480 /nfs/dbraw/zinc/80/74/80/562807480.db2.gz CDXAKQAOVGJCNF-HBYADBGTSA-N -1 0 544.626 1.152 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCC4)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754275 562807548 /nfs/dbraw/zinc/80/75/48/562807548.db2.gz CDXAKQAOVGJCNF-SWOHQMPDSA-N -1 0 544.626 1.152 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC4CCCC4)[C@@H]3[C@H](O)[C@H]12 ZINC000100754277 562807518 /nfs/dbraw/zinc/80/75/18/562807518.db2.gz CDXAKQAOVGJCNF-UESCUMHFSA-N -1 0 544.626 1.152 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC(C)(C)C)[C@H]3[C@H](O)[C@H]12 ZINC000100754304 562807625 /nfs/dbraw/zinc/80/76/25/562807625.db2.gz JZEGWEVJSMZTCF-HQYMJWJWSA-N -1 0 532.615 1.008 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC(C)(C)C)[C@@H]3[C@H](O)[C@H]12 ZINC000100754307 562807621 /nfs/dbraw/zinc/80/76/21/562807621.db2.gz JZEGWEVJSMZTCF-DKTAAJHYSA-N -1 0 532.615 1.008 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC(C)(C)C)[C@H]3[C@H](O)[C@@H]12 ZINC000100754313 562807647 /nfs/dbraw/zinc/80/76/47/562807647.db2.gz JZEGWEVJSMZTCF-XOVGCWOJSA-N -1 0 532.615 1.008 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSC(C)(C)C)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754317 562807636 /nfs/dbraw/zinc/80/76/36/562807636.db2.gz JZEGWEVJSMZTCF-ZBNMVKQBSA-N -1 0 532.615 1.008 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Cl)cc4)[C@H]3[C@H](O)[C@@H]12 ZINC000100754397 562807582 /nfs/dbraw/zinc/80/75/82/562807582.db2.gz VXVSCWXRYSFXCZ-SBPOKIJDSA-N -1 0 587.050 1.922 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Cl)cc4)[C@H]3[C@H](O)[C@H]12 ZINC000100754401 562807633 /nfs/dbraw/zinc/80/76/33/562807633.db2.gz VXVSCWXRYSFXCZ-XOTBRKJASA-N -1 0 587.050 1.922 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Cl)cc4)[C@@H]3[C@H](O)[C@@H]12 ZINC000100754406 562807640 /nfs/dbraw/zinc/80/76/40/562807640.db2.gz VXVSCWXRYSFXCZ-XYQFFVNOSA-N -1 0 587.050 1.922 1 30 KDEFRM C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@H](CSc4ccc(Cl)cc4)[C@@H]3[C@H](O)[C@H]12 ZINC000100754409 562807618 /nfs/dbraw/zinc/80/76/18/562807618.db2.gz VXVSCWXRYSFXCZ-XGONBWKDSA-N -1 0 587.050 1.922 1 30 KDEFRM Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C2[O-])C(=O)C[C@@H](O)[C@@H]1[C@H]1c2c(O)c4c(c(O)c2C(=O)[C@@H]3[C@@H]1O)C(=O)C=C(C)C4=O ZINC000100774279 571819269 /nfs/dbraw/zinc/81/92/69/571819269.db2.gz ZXFJPTIAJDFMNM-ZCYAVNGTSA-N -1 0 558.495 1.966 1 30 endogenous,in-man KDEFRM Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C2[O-])C(=O)C[C@H](O)[C@@H]1[C@H]1c2c(O)c4c(c(O)c2C(=O)[C@@H]3[C@@H]1O)C(=O)C=C(C)C4=O ZINC000100774280 571819258 /nfs/dbraw/zinc/81/92/58/571819258.db2.gz ZXFJPTIAJDFMNM-OENWRQFPSA-N -1 0 558.495 1.966 1 30 endogenous,in-man KDEFRM Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C2[O-])C(=O)C[C@@H](O)[C@H]1[C@H]1c2c(O)c4c(c(O)c2C(=O)[C@@H]3[C@@H]1O)C(=O)C=C(C)C4=O ZINC000100774282 571819296 /nfs/dbraw/zinc/81/92/96/571819296.db2.gz ZXFJPTIAJDFMNM-IFYAIFBCSA-N -1 0 558.495 1.966 1 30 endogenous,in-man KDEFRM Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C2[O-])C(=O)C[C@H](O)[C@H]1[C@H]1c2c(O)c4c(c(O)c2C(=O)[C@@H]3[C@@H]1O)C(=O)C=C(C)C4=O ZINC000100774284 571819248 /nfs/dbraw/zinc/81/92/48/571819248.db2.gz ZXFJPTIAJDFMNM-UYGUJOEVSA-N -1 0 558.495 1.966 1 30 endogenous,in-man KDEFRM C[C@H]1c2ccc(-c3ccccc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000100820807 562808114 /nfs/dbraw/zinc/80/81/14/562808114.db2.gz XWZIKBSHYVYGPW-PYTLKIAHSA-N -1 0 520.538 1.319 1 30 KDEFRM C[C@H]1c2ccc(-c3ccccc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000100820808 562808105 /nfs/dbraw/zinc/80/81/05/562808105.db2.gz XWZIKBSHYVYGPW-GMKQTANNSA-N -1 0 520.538 1.319 1 30 KDEFRM C[C@H]1c2ccc(-c3ccccc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000100820810 562808121 /nfs/dbraw/zinc/80/81/21/562808121.db2.gz XWZIKBSHYVYGPW-AGUQABAASA-N -1 0 520.538 1.319 1 30 KDEFRM C[C@H]1c2ccc(-c3ccccc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000100820811 562808110 /nfs/dbraw/zinc/80/81/10/562808110.db2.gz XWZIKBSHYVYGPW-SIOUMGEZSA-N -1 0 520.538 1.319 1 30 KDEFRM C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](C[S@](=O)c2cn[nH]n2)C(=O)[O-])c(F)c1 ZINC000100901315 581093943 /nfs/dbraw/zinc/09/39/43/581093943.db2.gz PBRLAIYGVIYVMT-BFZBUFPFSA-N -1 0 565.587 1.840 1 30 KDEFRM CN(C)c1ccc(C(=O)Nc2cc(N(C)C)c3c(c2O)C([O-])=C2C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]4C[C@@H]2C3)cc1 ZINC000101033365 562808752 /nfs/dbraw/zinc/80/87/52/562808752.db2.gz OHUXOKLORSENHT-KPYXRXEESA-N -1 0 619.675 1.348 1 30 KDEFRM CN(C)c1ccc(C(=O)Nc2cc(N(C)C)c3c(c2O)C([O-])=C2C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]4C[C@H]2C3)cc1 ZINC000101033367 562808747 /nfs/dbraw/zinc/80/87/47/562808747.db2.gz OHUXOKLORSENHT-YOQMIOLBSA-N -1 0 619.675 1.348 1 30 KDEFRM CN(C)c1ccc(C(=O)Nc2cc(N(C)C)c3c(c2O)C([O-])=C2C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@@H]2C3)cc1 ZINC000101033368 562808764 /nfs/dbraw/zinc/80/87/64/562808764.db2.gz OHUXOKLORSENHT-QZQGDORTSA-N -1 0 619.675 1.348 1 30 KDEFRM CN(C)c1ccc(C(=O)Nc2cc(N(C)C)c3c(c2O)C([O-])=C2C(=O)[C@]4(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]4C[C@H]2C3)cc1 ZINC000101033370 562808740 /nfs/dbraw/zinc/80/87/40/562808740.db2.gz OHUXOKLORSENHT-ZCFOLLJXSA-N -1 0 619.675 1.348 1 30 KDEFRM CN(C)c1cc(NC(=O)c2ccccc2)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034113 562808817 /nfs/dbraw/zinc/80/88/17/562808817.db2.gz RIWSVMUYRPRWRS-QRHIAXOQSA-N -1 0 576.606 1.282 1 30 KDEFRM CN(C)c1cc(NC(=O)c2ccccc2)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034114 562808783 /nfs/dbraw/zinc/80/87/83/562808783.db2.gz RIWSVMUYRPRWRS-UZKSRJBESA-N -1 0 576.606 1.282 1 30 KDEFRM CN(C)c1cc(NC(=O)c2ccccc2)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034117 562808810 /nfs/dbraw/zinc/80/88/10/562808810.db2.gz RIWSVMUYRPRWRS-ZMFZOEAXSA-N -1 0 576.606 1.282 1 30 KDEFRM CN(C)c1cc(NC(=O)c2ccccc2)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034118 562808774 /nfs/dbraw/zinc/80/87/74/562808774.db2.gz RIWSVMUYRPRWRS-MKCQCFOLSA-N -1 0 576.606 1.282 1 30 KDEFRM Cc1ccccc1C(=O)Nc1cc(N(C)C)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3C[C@@H]1C2 ZINC000101034551 562808820 /nfs/dbraw/zinc/80/88/20/562808820.db2.gz DQRRRTXDNZWPEN-GDYXKLDKSA-N -1 0 590.633 1.591 1 30 KDEFRM Cc1ccccc1C(=O)Nc1cc(N(C)C)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3C[C@H]1C2 ZINC000101034552 562808791 /nfs/dbraw/zinc/80/87/91/562808791.db2.gz DQRRRTXDNZWPEN-DVFXGFQMSA-N -1 0 590.633 1.591 1 30 KDEFRM Cc1ccccc1C(=O)Nc1cc(N(C)C)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@@H]1C2 ZINC000101034553 562808813 /nfs/dbraw/zinc/80/88/13/562808813.db2.gz DQRRRTXDNZWPEN-JAUYKFLISA-N -1 0 590.633 1.591 1 30 KDEFRM Cc1ccccc1C(=O)Nc1cc(N(C)C)c2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3C[C@H]1C2 ZINC000101034555 562808796 /nfs/dbraw/zinc/80/87/96/562808796.db2.gz DQRRRTXDNZWPEN-RMXFXRDXSA-N -1 0 590.633 1.591 1 30 KDEFRM CN(C)c1cc(NC(=O)c2cccs2)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034783 562808804 /nfs/dbraw/zinc/80/88/04/562808804.db2.gz YFIMIVYYLZLJFT-CBZIWWEOSA-N -1 0 582.635 1.344 1 30 KDEFRM CN(C)c1cc(NC(=O)c2cccs2)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034784 562808780 /nfs/dbraw/zinc/80/87/80/562808780.db2.gz YFIMIVYYLZLJFT-WGNDBVHPSA-N -1 0 582.635 1.344 1 30 KDEFRM CN(C)c1cc(NC(=O)c2cccs2)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034785 562808825 /nfs/dbraw/zinc/80/88/25/562808825.db2.gz YFIMIVYYLZLJFT-AFIPXEKOSA-N -1 0 582.635 1.344 1 30 KDEFRM CN(C)c1cc(NC(=O)c2cccs2)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000101034787 562808849 /nfs/dbraw/zinc/80/88/49/562808849.db2.gz YFIMIVYYLZLJFT-BQNNJVOVSA-N -1 0 582.635 1.344 1 30 KDEFRM C[C@H]1c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]21 ZINC000101245006 562810054 /nfs/dbraw/zinc/81/00/54/562810054.db2.gz PIEWPVKLJMCBPC-UQTHJIEPSA-N -1 0 565.535 1.228 1 30 KDEFRM C[C@H]1c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@H]21 ZINC000101245008 562810028 /nfs/dbraw/zinc/81/00/28/562810028.db2.gz PIEWPVKLJMCBPC-DNRWOCLQSA-N -1 0 565.535 1.228 1 30 KDEFRM C[C@H]1c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@@H]21 ZINC000101245010 562810041 /nfs/dbraw/zinc/81/00/41/562810041.db2.gz PIEWPVKLJMCBPC-HJGHTYHLSA-N -1 0 565.535 1.228 1 30 KDEFRM C[C@H]1c2ccc(-c3ccc([N+](=O)[O-])cc3)c(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@H]3[C@@H](O)[C@@H]21 ZINC000101245012 562810027 /nfs/dbraw/zinc/81/00/27/562810027.db2.gz PIEWPVKLJMCBPC-PSSMGRKLSA-N -1 0 565.535 1.228 1 30 KDEFRM CN(C)c1cc(NC(=O)CCC2CCCC2)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000102166244 562812783 /nfs/dbraw/zinc/81/27/83/562812783.db2.gz OSDYLAHNHBLTQR-KZILNABDSA-N -1 0 596.681 1.939 1 30 KDEFRM CN(C)c1cc(NC(=O)CCC2CCCC2)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000102166249 562812779 /nfs/dbraw/zinc/81/27/79/562812779.db2.gz OSDYLAHNHBLTQR-UXWXPNOTSA-N -1 0 596.681 1.939 1 30 KDEFRM CN(C)c1cc(NC(=O)CCC2CCCC2)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000102166255 562812757 /nfs/dbraw/zinc/81/27/57/562812757.db2.gz OSDYLAHNHBLTQR-FZLYOREVSA-N -1 0 596.681 1.939 1 30 KDEFRM CN(C)c1cc(NC(=O)CCC2CCCC2)c(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-] ZINC000102166259 562812799 /nfs/dbraw/zinc/81/27/99/562812799.db2.gz OSDYLAHNHBLTQR-PEQOZMLISA-N -1 0 596.681 1.939 1 30 KDEFRM CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCC(=O)[O-])=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000102200016 562812917 /nfs/dbraw/zinc/81/29/17/562812917.db2.gz BKJCDWXSKYKDCY-YYOSMXRZSA-N -1 0 617.696 1.826 1 30 KDEFRM CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)C(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1[O-] ZINC000102966220 562813760 /nfs/dbraw/zinc/81/37/60/562813760.db2.gz ODXLBNOIMNSYSD-ZXJQDGMHSA-N -1 0 576.680 1.883 1 30 KDEFRM COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O ZINC000103231987 562818358 /nfs/dbraw/zinc/81/83/58/562818358.db2.gz ISDDQQPRTHCEGT-XANUIUACSA-N -1 0 544.509 1.418 1 30 KDEFRM C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)N2CCCCC2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C1CCCCC1)C(C)C)C(=O)[O-] ZINC000103262386 562821581 /nfs/dbraw/zinc/82/15/81/562821581.db2.gz DOMJVVLXIIEROG-ROVSKHTQSA-N -1 0 631.771 1.950 1 30 KDEFRM 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