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/nfs/dbraw/zinc/39/68/83/583396883.db2.gz KJVXRBYHMAHPCZ-UHFFFAOYSA-N -2 3 337.379 -1.169 20 0 EAADHL CCO[N-]C(=O)CNC(=O)CC[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000846495926 583398337 /nfs/dbraw/zinc/39/83/37/583398337.db2.gz GGQUGBCDDJPGQB-UHFFFAOYSA-N -2 3 347.397 -1.419 20 0 EAADHL CCO[N-]C(=O)CNC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000846496007 583398158 /nfs/dbraw/zinc/39/81/58/583398158.db2.gz HIWKFONZWUNFTI-UHFFFAOYSA-N -2 3 333.370 -1.809 20 0 EAADHL CCO[N-]C(=O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000846498574 583398225 /nfs/dbraw/zinc/39/82/25/583398225.db2.gz JXTRPSMUJXBATR-UHFFFAOYSA-N -2 3 349.141 -1.105 20 0 EAADHL CCO[N-]C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000846662310 583399021 /nfs/dbraw/zinc/39/90/21/583399021.db2.gz WYCXCYIOPNWCCR-UHFFFAOYSA-N -2 3 334.354 -1.246 20 0 EAADHL CCn1ncn([N-]C(=O)c2ccc(S(=O)(=O)[N-]C)nc2)c1=O ZINC000854628662 583414804 /nfs/dbraw/zinc/41/48/04/583414804.db2.gz JAKOMUIPEVKIOU-UHFFFAOYSA-N -2 3 326.338 -1.248 20 0 EAADHL Cn1cnc(S(=O)(=O)[N-]CC(=O)[N-]OCCN2CCCC2=O)c1 ZINC000856041148 583417636 /nfs/dbraw/zinc/41/76/36/583417636.db2.gz MVKAYCKYAHYXFW-UHFFFAOYSA-N -2 3 345.381 -1.631 20 0 EAADHL NC(=O)[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)O1 ZINC000860754465 583425516 /nfs/dbraw/zinc/42/55/16/583425516.db2.gz GSMZIYWKZLZVKJ-VHSXEESVSA-N -2 3 339.333 -1.204 20 0 EAADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-] ZINC000912559236 669451780 /nfs/dbraw/zinc/45/17/80/669451780.db2.gz WAHULIBPRTWFNP-LURJTMIESA-N -3 3 349.321 -1.041 20 0 EAADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000912559237 669452011 /nfs/dbraw/zinc/45/20/11/669452011.db2.gz WAHULIBPRTWFNP-ZCFIWIBFSA-N -3 3 349.321 -1.041 20 0 EAADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-] ZINC000912559260 669451663 /nfs/dbraw/zinc/45/16/63/669451663.db2.gz WWQBZLNQYZLYMD-RXMQYKEDSA-N -3 3 335.294 -1.289 20 0 EAADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-] ZINC000912559261 669451602 /nfs/dbraw/zinc/45/16/02/669451602.db2.gz WWQBZLNQYZLYMD-YFKPBYRVSA-N -3 3 335.294 -1.289 20 0 EAADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1nn[n-]c1C(=O)NC ZINC000912562162 669450830 /nfs/dbraw/zinc/45/08/30/669450830.db2.gz AHPKSFOMKAVMKN-UHFFFAOYSA-N -2 3 343.325 -1.135 20 0 EAADHL CNC(=O)c1[n-]nnc1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC000912562271 669450919 /nfs/dbraw/zinc/45/09/19/669450919.db2.gz BWOUTEITGZSPPR-UHFFFAOYSA-N -2 3 343.325 -1.217 20 0 EAADHL O=C(N[C@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnc[n-]c1=O ZINC000938154469 669226203 /nfs/dbraw/zinc/22/62/03/669226203.db2.gz ZRIGHGCQEKYNCW-LURJTMIESA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(N[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1)c1cn[n-]n1 ZINC000938242736 669285949 /nfs/dbraw/zinc/28/59/49/669285949.db2.gz QHRIKCKONDCZSL-QMMMGPOBSA-N -2 3 342.319 -1.215 20 0 EAADHL O=C(N[C@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)c1n[nH]c(=O)[n-]c1=O ZINC000938350357 668936408 /nfs/dbraw/zinc/93/64/08/668936408.db2.gz SQXCBEMQQWPBTI-LURJTMIESA-N -2 3 347.291 -1.577 20 0 EAADHL C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000939627031 669087521 /nfs/dbraw/zinc/08/75/21/669087521.db2.gz PNJHADHVXQTQQF-RNFRBKRXSA-N -2 3 338.328 -1.850 20 0 EAADHL O=C(N[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1)c1cnc[n-]c1=O ZINC000941168019 669217621 /nfs/dbraw/zinc/21/76/21/669217621.db2.gz ZRIGHGCQEKYNCW-ZCFIWIBFSA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(N[C@@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1)c1cn[n-]n1 ZINC000941450531 669264855 /nfs/dbraw/zinc/26/48/55/669264855.db2.gz QHRIKCKONDCZSL-MRVPVSSYSA-N -2 3 342.319 -1.215 20 0 EAADHL O=C(N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1)c1n[nH]c(=O)[n-]c1=O ZINC000941794420 669316142 /nfs/dbraw/zinc/31/61/42/669316142.db2.gz SQXCBEMQQWPBTI-ZCFIWIBFSA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(NC[C@@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnc[n-]c1=O ZINC000950699665 670253597 /nfs/dbraw/zinc/25/35/97/670253597.db2.gz HHNWPKHWTGQGAG-LURJTMIESA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(NC[C@H]1CCN1C(=O)c1n[nH]c(=O)[n-]c1=O)c1cnc[n-]c1=O ZINC000950699666 670253707 /nfs/dbraw/zinc/25/37/07/670253707.db2.gz HHNWPKHWTGQGAG-ZCFIWIBFSA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(NC[C@@H]1CCN1C(=O)c1cnc[n-]c1=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298455 670285753 /nfs/dbraw/zinc/28/57/53/670285753.db2.gz YYRDFALMJLHXRN-LURJTMIESA-N -2 3 347.291 -1.577 20 0 EAADHL O=C(NC[C@H]1CCN1C(=O)c1cnc[n-]c1=O)c1n[nH]c(=O)[n-]c1=O ZINC000951298456 670285842 /nfs/dbraw/zinc/28/58/42/670285842.db2.gz YYRDFALMJLHXRN-ZCFIWIBFSA-N -2 3 347.291 -1.577 20 0 EAADHL CN(C(=O)c1cnc[n-]c1=O)C1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000954580258 670427680 /nfs/dbraw/zinc/42/76/80/670427680.db2.gz YLWSAUASQXSJTH-UHFFFAOYSA-N -2 3 347.291 -1.625 20 0 EAADHL CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC000954880639 670449967 /nfs/dbraw/zinc/44/99/67/670449967.db2.gz TYPRAGBMQMBZGP-UHFFFAOYSA-N -2 3 347.291 -1.625 20 0 EAADHL CC1(NC(=O)c2cn[n-]n2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC000956419924 670512557 /nfs/dbraw/zinc/51/25/57/670512557.db2.gz MDUMSFNQKYAKTB-UHFFFAOYSA-N -2 3 348.323 -1.174 20 0 EAADHL C[C@@]1(NC(=O)c2cn[n-]n2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957184828 670550007 /nfs/dbraw/zinc/55/00/07/670550007.db2.gz BUNMOCVVBVVYMQ-GFCCVEGCSA-N -2 3 334.296 -1.565 20 0 EAADHL C[C@]1(NC(=O)c2cn[n-]n2)CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC000957184829 670549721 /nfs/dbraw/zinc/54/97/21/670549721.db2.gz BUNMOCVVBVVYMQ-LBPRGKRZSA-N -2 3 334.296 -1.565 20 0 EAADHL Cn1[n-]c(CN2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)CC2)nc1=O ZINC000957472626 670572911 /nfs/dbraw/zinc/57/29/11/670572911.db2.gz LCYFWHAIONCSIP-UHFFFAOYSA-N -2 3 338.328 -2.545 20 0 EAADHL C[C@@H]1CN(C(=O)c2cnc([O-])n(C)c2=O)C[C@H]1NC(=O)c1cn[n-]n1 ZINC000957582179 670576462 /nfs/dbraw/zinc/57/64/62/670576462.db2.gz NMKMEJLNUALBHO-GMSGAONNSA-N -2 3 347.335 -1.506 20 0 EAADHL Cn1[n-]c(CN2C[C@@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)nc1=O ZINC000957989685 670608169 /nfs/dbraw/zinc/60/81/69/670608169.db2.gz HJMITFKFBZPNSJ-GXSJLCMTSA-N -2 3 348.363 -1.568 20 0 EAADHL Cn1[n-]c(CN2C[C@H](O)[C@H](CNC(=O)c3ncccc3[O-])C2)nc1=O ZINC000957989686 670608343 /nfs/dbraw/zinc/60/83/43/670608343.db2.gz HJMITFKFBZPNSJ-KOLCDFICSA-N -2 3 348.363 -1.568 20 0 EAADHL Cn1[n-]c(CN2C[C@@H](CNC(=O)c3ncccc3[O-])[C@H](O)C2)nc1=O ZINC000957989687 670608427 /nfs/dbraw/zinc/60/84/27/670608427.db2.gz HJMITFKFBZPNSJ-MWLCHTKSSA-N -2 3 348.363 -1.568 20 0 EAADHL Cn1[n-]c(CN2C[C@H](O)[C@@H](CNC(=O)c3ncccc3[O-])C2)nc1=O ZINC000957989688 670608384 /nfs/dbraw/zinc/60/83/84/670608384.db2.gz HJMITFKFBZPNSJ-ONGXEEELSA-N -2 3 348.363 -1.568 20 0 EAADHL O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958167848 670642764 /nfs/dbraw/zinc/64/27/64/670642764.db2.gz QQQVRLYKHFZJBE-APPZFPTMSA-N -2 3 335.324 -1.771 20 0 EAADHL O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc[n-]c1=O ZINC000958167849 670642615 /nfs/dbraw/zinc/64/26/15/670642615.db2.gz QQQVRLYKHFZJBE-CBAPKCEASA-N -2 3 335.324 -1.771 20 0 EAADHL O=C(NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc[n-]c1=O ZINC000958167850 670642752 /nfs/dbraw/zinc/64/27/52/670642752.db2.gz QQQVRLYKHFZJBE-IONNQARKSA-N -2 3 335.324 -1.771 20 0 EAADHL O=C(NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc[n-]c1=O ZINC000958167852 670642669 /nfs/dbraw/zinc/64/26/69/670642669.db2.gz QQQVRLYKHFZJBE-VXNVDRBHSA-N -2 3 335.324 -1.771 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958345941 670678756 /nfs/dbraw/zinc/67/87/56/670678756.db2.gz VGVFRGHPVOQOGZ-BDAKNGLRSA-N -2 3 349.351 -1.463 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958345942 670678733 /nfs/dbraw/zinc/67/87/33/670678733.db2.gz VGVFRGHPVOQOGZ-DTWKUNHWSA-N -2 3 349.351 -1.463 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC000958345943 670678633 /nfs/dbraw/zinc/67/86/33/670678633.db2.gz VGVFRGHPVOQOGZ-IUCAKERBSA-N -2 3 349.351 -1.463 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC000958345944 670678704 /nfs/dbraw/zinc/67/87/04/670678704.db2.gz VGVFRGHPVOQOGZ-RKDXNWHRSA-N -2 3 349.351 -1.463 20 0 EAADHL Cc1n[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)c1[O-] ZINC000958583660 670722344 /nfs/dbraw/zinc/72/23/44/670722344.db2.gz NCWJHSOJUKAYEP-MBTKJCJQSA-N -2 3 333.352 -1.294 20 0 EAADHL O=C(NC1CC(CNCc2n[nH]c(=O)[n-]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC000962041265 672054147 /nfs/dbraw/zinc/05/41/47/672054147.db2.gz ZJNZLQLCEBMUQC-UHFFFAOYSA-N -2 3 336.312 -1.595 20 0 EAADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(C(=O)c3cnc[n-]c3=O)C[C@@H]2O)c1[O-] ZINC000962307645 672074686 /nfs/dbraw/zinc/07/46/86/672074686.db2.gz KBLUIGQMNRNEQF-BDAKNGLRSA-N -2 3 348.319 -1.465 20 0 EAADHL O=C(N[C@@H]1CN(C(=O)c2cnc[n-]c2=O)C[C@@H]1O)c1ncccc1[O-] ZINC000962437140 672088283 /nfs/dbraw/zinc/08/82/83/672088283.db2.gz NTBOLSMPIIWMBG-KOLCDFICSA-N -2 3 345.315 -1.102 20 0 EAADHL 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ZINC001087260924 685082297 /nfs/dbraw/zinc/08/22/97/685082297.db2.gz KJALBOCECSBFPC-UHFFFAOYSA-N -2 3 346.311 -1.656 20 0 EAADHL O=C(NCc1nc(CNCc2n[nH]c(=O)[n-]2)cc(=O)[n-]1)c1cnon1 ZINC001087260996 685082287 /nfs/dbraw/zinc/08/22/87/685082287.db2.gz OCOUBVJRYXLVGY-UHFFFAOYSA-N -2 3 347.295 -1.391 20 0 EAADHL Cn1[n-]c(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)nc1=O ZINC001090215616 786237906 /nfs/dbraw/zinc/23/79/06/786237906.db2.gz HNQVPAYDKCQRMD-GXSJLCMTSA-N -2 3 348.363 -1.426 20 0 EAADHL Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nc1=O ZINC001090215617 786239058 /nfs/dbraw/zinc/23/90/58/786239058.db2.gz HNQVPAYDKCQRMD-KOLCDFICSA-N -2 3 348.363 -1.426 20 0 EAADHL Cn1[n-]c(CN2CC[C@@H](NC(=O)c3ncccc3[O-])[C@H](O)C2)nc1=O ZINC001090215618 786239046 /nfs/dbraw/zinc/23/90/46/786239046.db2.gz HNQVPAYDKCQRMD-MWLCHTKSSA-N -2 3 348.363 -1.426 20 0 EAADHL Cn1[n-]c(CN2CC[C@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)nc1=O ZINC001090215619 786238871 /nfs/dbraw/zinc/23/88/71/786238871.db2.gz HNQVPAYDKCQRMD-ONGXEEELSA-N -2 3 348.363 -1.426 20 0 EAADHL O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090350472 786300617 /nfs/dbraw/zinc/30/06/17/786300617.db2.gz WMSAPTKZGVZGCS-BDAKNGLRSA-N -2 3 335.324 -1.629 20 0 EAADHL O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc[n-]c1=O ZINC001090350474 786301045 /nfs/dbraw/zinc/30/10/45/786301045.db2.gz WMSAPTKZGVZGCS-DTWKUNHWSA-N -2 3 335.324 -1.629 20 0 EAADHL O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc[n-]c1=O ZINC001090350476 786300978 /nfs/dbraw/zinc/30/09/78/786300978.db2.gz WMSAPTKZGVZGCS-IUCAKERBSA-N -2 3 335.324 -1.629 20 0 EAADHL O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O)c1cnc[n-]c1=O ZINC001090350478 786301030 /nfs/dbraw/zinc/30/10/30/786301030.db2.gz WMSAPTKZGVZGCS-RKDXNWHRSA-N -2 3 335.324 -1.629 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090514068 787212774 /nfs/dbraw/zinc/21/27/74/787212774.db2.gz NKXGEIDJDDGMEG-BDAKNGLRSA-N -2 3 349.351 -1.320 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090514069 787211834 /nfs/dbraw/zinc/21/18/34/787211834.db2.gz NKXGEIDJDDGMEG-DTWKUNHWSA-N -2 3 349.351 -1.320 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001090514070 787212374 /nfs/dbraw/zinc/21/23/74/787212374.db2.gz NKXGEIDJDDGMEG-IUCAKERBSA-N -2 3 349.351 -1.320 20 0 EAADHL Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001090514071 787212012 /nfs/dbraw/zinc/21/20/12/787212012.db2.gz NKXGEIDJDDGMEG-RKDXNWHRSA-N -2 3 349.351 -1.320 20 0 EAADHL O=C(NCC1CC(NCc2n[nH]c(=O)[n-]2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001091121522 787461896 /nfs/dbraw/zinc/46/18/96/787461896.db2.gz MCDUBJODJJFCFE-UHFFFAOYSA-N -2 3 336.312 -1.595 20 0 EAADHL O=C(Cn1c(=O)[n-][nH]c1=O)NCC1CC(NCc2n[nH]c(=O)[n-]2)C1 ZINC001100919619 792465634 /nfs/dbraw/zinc/46/56/34/792465634.db2.gz FLDSKSSVMNGAKZ-UHFFFAOYSA-N -2 3 338.328 -1.802 20 0 EAADHL Cn1[n-]c(CNCCNC(=O)CCc2n[nH]c(=O)[n-]c2=O)nc1=O ZINC001130753930 786974275 /nfs/dbraw/zinc/97/42/75/786974275.db2.gz FEFYTXXOTNUPMX-UHFFFAOYSA-N -2 3 338.328 -2.457 20 0 EAADHL C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001134869031 787263528 /nfs/dbraw/zinc/26/35/28/787263528.db2.gz VJLSSZQPQGWROQ-NTSWFWBYSA-N -2 3 338.328 -1.207 20 0 EAADHL C[C@H](C[C@@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001134869032 787263512 /nfs/dbraw/zinc/26/35/12/787263512.db2.gz VJLSSZQPQGWROQ-PHDIDXHHSA-N -2 3 338.328 -1.207 20 0 EAADHL C[C@H](C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001134869033 787263425 /nfs/dbraw/zinc/26/34/25/787263425.db2.gz VJLSSZQPQGWROQ-RITPCOANSA-N -2 3 338.328 -1.207 20 0 EAADHL C[C@@H](C[C@H](C)NC(=O)c1n[nH]c(=O)[n-]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001134869034 787263367 /nfs/dbraw/zinc/26/33/67/787263367.db2.gz VJLSSZQPQGWROQ-WDSKDSINSA-N -2 3 338.328 -1.207 20 0 EAADHL Cn1[n-]c(CNCCNC(=O)c2c[n-]n3c2nccc3=O)nc1=O ZINC001134938595 787266867 /nfs/dbraw/zinc/26/68/67/787266867.db2.gz BEIQSOWRLDZGEJ-UHFFFAOYSA-N -2 3 332.324 -2.036 20 0 EAADHL Cn1[n-]c(CNCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)nc1=O ZINC001135465933 787303039 /nfs/dbraw/zinc/30/30/39/787303039.db2.gz XTFOIGKHVPABOS-UHFFFAOYSA-N -2 3 347.339 -2.601 20 0 EAADHL C[C@@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136035428 787330117 /nfs/dbraw/zinc/33/01/17/787330117.db2.gz OJOIXGFVTYMBSE-BQBZGAKWSA-N -2 3 340.344 -1.414 20 0 EAADHL C[C@H](C[C@H](C)NCc1n[nH]c(=O)[n-]1)NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001136035429 787329307 /nfs/dbraw/zinc/32/93/07/787329307.db2.gz OJOIXGFVTYMBSE-NKWVEPMBSA-N -2 3 340.344 -1.414 20 0 EAADHL C[C@H](C[C@@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136035430 787329686 /nfs/dbraw/zinc/32/96/86/787329686.db2.gz OJOIXGFVTYMBSE-RNFRBKRXSA-N -2 3 340.344 -1.414 20 0 EAADHL C[C@H](C[C@H](C)NC(=O)Cn1c(=O)[n-][nH]c1=O)NCc1n[nH]c(=O)[n-]1 ZINC001136035431 787330565 /nfs/dbraw/zinc/33/05/65/787330565.db2.gz OJOIXGFVTYMBSE-RQJHMYQMSA-N -2 3 340.344 -1.414 20 0 EAADHL O=C([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)C(F)F ZINC001142792010 793052779 /nfs/dbraw/zinc/05/27/79/793052779.db2.gz CHGDRJBMGNZPDG-OVNPILHNSA-N -2 3 337.253 -3.005 20 0 EAADHL O=C([N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)C(F)F ZINC001142792011 786036754 /nfs/dbraw/zinc/03/67/54/786036754.db2.gz CHGDRJBMGNZPDG-UEMWIJBDSA-N -2 3 337.253 -3.005 20 0 EAADHL O=C(Nc1nc2ccc(F)cc2o1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144891732 787476414 /nfs/dbraw/zinc/47/64/14/787476414.db2.gz AUHIMWLWVULOTQ-FKTZTGRPSA-N -2 3 328.252 -1.451 20 0 EAADHL O=C(Nc1nc2ccc(F)cc2o1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144891733 787476132 /nfs/dbraw/zinc/47/61/32/787476132.db2.gz AUHIMWLWVULOTQ-FXBDTBDDSA-N -2 3 328.252 -1.451 20 0 EAADHL O=C(Nc1nc2ccc(F)cc2o1)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144891734 787475933 /nfs/dbraw/zinc/47/59/33/787475933.db2.gz AUHIMWLWVULOTQ-SZEHBUNVSA-N -2 3 328.252 -1.451 20 0 EAADHL O=C(Nc1nc2ccc(F)cc2o1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144891735 787476058 /nfs/dbraw/zinc/47/60/58/787476058.db2.gz AUHIMWLWVULOTQ-UJNFCWOMSA-N -2 3 328.252 -1.451 20 0 EAADHL O=C(Nc1cc(Cl)cc(Cl)n1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144892386 787490484 /nfs/dbraw/zinc/49/04/84/787490484.db2.gz HTXYCFTUTDWQRF-HFHMMWAZSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1cc(Cl)cc(Cl)n1)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144892387 787490387 /nfs/dbraw/zinc/49/03/87/787490387.db2.gz HTXYCFTUTDWQRF-JISRMSBWSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1cc(Cl)cc(Cl)n1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144892388 787490545 /nfs/dbraw/zinc/49/05/45/787490545.db2.gz HTXYCFTUTDWQRF-LQQYEPNUSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1cc(Cl)cc(Cl)n1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144892389 787490867 /nfs/dbraw/zinc/49/08/67/787490867.db2.gz HTXYCFTUTDWQRF-WLGLDCGKSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1cnc(Cl)nc1Cl)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144892428 787492057 /nfs/dbraw/zinc/49/20/57/787492057.db2.gz IKSZSFPEJZPDMF-HCWXCVPCSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cnc(Cl)nc1Cl)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144892430 787492280 /nfs/dbraw/zinc/49/22/80/787492280.db2.gz IKSZSFPEJZPDMF-HSUXUTPPSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cnc(Cl)nc1Cl)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144892431 787491805 /nfs/dbraw/zinc/49/18/05/787491805.db2.gz IKSZSFPEJZPDMF-KVQBGUIXSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cnc(Cl)nc1Cl)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144892433 787492368 /nfs/dbraw/zinc/49/23/68/787492368.db2.gz IKSZSFPEJZPDMF-NGJCXOISSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1ccnc(Cl)c1Cl)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144892581 787492246 /nfs/dbraw/zinc/49/22/46/787492246.db2.gz JAILQLULXBUXDA-APQOSEDMSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1ccnc(Cl)c1Cl)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144892582 787491556 /nfs/dbraw/zinc/49/15/56/787491556.db2.gz JAILQLULXBUXDA-LPBLVHEISA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1ccnc(Cl)c1Cl)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144892583 787491901 /nfs/dbraw/zinc/49/19/01/787491901.db2.gz JAILQLULXBUXDA-MHSYXAOVSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1ccnc(Cl)c1Cl)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144892584 787492394 /nfs/dbraw/zinc/49/23/94/787492394.db2.gz JAILQLULXBUXDA-UIISKDMLSA-N -2 3 339.131 -1.029 20 0 EAADHL O=C(Nc1nc(C(F)(F)F)cs1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144892865 787492174 /nfs/dbraw/zinc/49/21/74/787492174.db2.gz LHRFPLHZOWDAHQ-OTWZMJIISA-N -2 3 344.267 -1.256 20 0 EAADHL O=C(Nc1nc(C(F)(F)F)cs1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144892866 787492215 /nfs/dbraw/zinc/49/22/15/787492215.db2.gz LHRFPLHZOWDAHQ-PQLUHFTBSA-N -2 3 344.267 -1.256 20 0 EAADHL O=C(Nc1nc(C(F)(F)F)cs1)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144892867 787492235 /nfs/dbraw/zinc/49/22/35/787492235.db2.gz LHRFPLHZOWDAHQ-UYFOZJQFSA-N -2 3 344.267 -1.256 20 0 EAADHL O=C(Nc1nc(C(F)(F)F)cs1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144892868 787491683 /nfs/dbraw/zinc/49/16/83/787491683.db2.gz LHRFPLHZOWDAHQ-ZXEDONINSA-N -2 3 344.267 -1.256 20 0 EAADHL COc1cnc(Cl)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001144893143 787492188 /nfs/dbraw/zinc/49/21/88/787492188.db2.gz MBZOCVZTVMDSFX-JSKYLQRQSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1cnc(Cl)c(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001144893144 787491786 /nfs/dbraw/zinc/49/17/86/787491786.db2.gz MBZOCVZTVMDSFX-PRMYIZFSSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1cnc(Cl)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001144893145 787492153 /nfs/dbraw/zinc/49/21/53/787492153.db2.gz MBZOCVZTVMDSFX-QPPQHZFASA-N -2 3 335.700 -2.279 20 0 EAADHL COc1cnc(Cl)c(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001144893146 787491560 /nfs/dbraw/zinc/49/15/60/787491560.db2.gz MBZOCVZTVMDSFX-UBKIQSJTSA-N -2 3 335.700 -2.279 20 0 EAADHL O=C(Nc1c(Cl)cnnc1Cl)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144893569 787491574 /nfs/dbraw/zinc/49/15/74/787491574.db2.gz MXGXNUINGMSWGC-JSKYLQRQSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1c(Cl)cnnc1Cl)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144893570 787491728 /nfs/dbraw/zinc/49/17/28/787491728.db2.gz MXGXNUINGMSWGC-PRMYIZFSSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1c(Cl)cnnc1Cl)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144893574 787491585 /nfs/dbraw/zinc/49/15/85/787491585.db2.gz MXGXNUINGMSWGC-QPPQHZFASA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1c(Cl)cnnc1Cl)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144893578 787491755 /nfs/dbraw/zinc/49/17/55/787491755.db2.gz MXGXNUINGMSWGC-UBKIQSJTSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1ccnn1Br)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144894453 787493523 /nfs/dbraw/zinc/49/35/23/787493523.db2.gz GLPOHCZTPMSHJG-JSKYLQRQSA-N -2 3 338.114 -2.376 20 0 EAADHL O=C(Nc1ccnn1Br)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144894466 787493508 /nfs/dbraw/zinc/49/35/08/787493508.db2.gz GLPOHCZTPMSHJG-PRMYIZFSSA-N -2 3 338.114 -2.376 20 0 EAADHL O=C(Nc1ccnn1Br)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144894468 787493391 /nfs/dbraw/zinc/49/33/91/787493391.db2.gz GLPOHCZTPMSHJG-QPPQHZFASA-N -2 3 338.114 -2.376 20 0 EAADHL O=C(Nc1ccnn1Br)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144894471 787493362 /nfs/dbraw/zinc/49/33/62/787493362.db2.gz GLPOHCZTPMSHJG-UBKIQSJTSA-N -2 3 338.114 -2.376 20 0 EAADHL O=C(Nc1cccc(C(F)(F)F)n1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144894734 787493350 /nfs/dbraw/zinc/49/33/50/787493350.db2.gz QCCGLGGMQQUJHJ-HFHMMWAZSA-N -2 3 338.238 -1.317 20 0 EAADHL O=C(Nc1cccc(C(F)(F)F)n1)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144894738 787493534 /nfs/dbraw/zinc/49/35/34/787493534.db2.gz QCCGLGGMQQUJHJ-JISRMSBWSA-N -2 3 338.238 -1.317 20 0 EAADHL O=C(Nc1cccc(C(F)(F)F)n1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144894739 787493266 /nfs/dbraw/zinc/49/32/66/787493266.db2.gz QCCGLGGMQQUJHJ-LQQYEPNUSA-N -2 3 338.238 -1.317 20 0 EAADHL O=C(Nc1cccc(C(F)(F)F)n1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144894741 787492743 /nfs/dbraw/zinc/49/27/43/787492743.db2.gz QCCGLGGMQQUJHJ-WLGLDCGKSA-N -2 3 338.238 -1.317 20 0 EAADHL COc1nc(Cl)cc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)n1 ZINC001144894917 787492784 /nfs/dbraw/zinc/49/27/84/787492784.db2.gz RLJAWJPWJOBWOC-BTZDVCGTSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)cc(NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO)n1 ZINC001144894918 787493086 /nfs/dbraw/zinc/49/30/86/787493086.db2.gz RLJAWJPWJOBWOC-FOPMIJGASA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)cc(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)n1 ZINC001144894920 787493465 /nfs/dbraw/zinc/49/34/65/787493465.db2.gz RLJAWJPWJOBWOC-MNWLTOSCSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)cc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)n1 ZINC001144894921 787493562 /nfs/dbraw/zinc/49/35/62/787493562.db2.gz RLJAWJPWJOBWOC-ZQASAOEGSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)ncc1NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144895593 787478525 /nfs/dbraw/zinc/47/85/25/787478525.db2.gz VOCZAQRQOKCHCO-DSYKOEDSSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)ncc1NC(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144895594 787477949 /nfs/dbraw/zinc/47/79/49/787477949.db2.gz VOCZAQRQOKCHCO-FSDSQADBSA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)ncc1NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144895595 787477966 /nfs/dbraw/zinc/47/79/66/787477966.db2.gz VOCZAQRQOKCHCO-LYFYHCNISA-N -2 3 335.700 -2.279 20 0 EAADHL COc1nc(Cl)ncc1NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144895596 787477799 /nfs/dbraw/zinc/47/77/99/787477799.db2.gz VOCZAQRQOKCHCO-RRKCRQDMSA-N -2 3 335.700 -2.279 20 0 EAADHL O=C(Nc1nnc(-c2ccco2)o1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144895791 787478310 /nfs/dbraw/zinc/47/83/10/787478310.db2.gz XDHJGGOXNJPHSX-APQOSEDMSA-N -2 3 327.249 -2.088 20 0 EAADHL O=C(Nc1nnc(-c2ccco2)o1)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144895792 787478350 /nfs/dbraw/zinc/47/83/50/787478350.db2.gz XDHJGGOXNJPHSX-LPBLVHEISA-N -2 3 327.249 -2.088 20 0 EAADHL O=C(Nc1nnc(-c2ccco2)o1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144895793 787478329 /nfs/dbraw/zinc/47/83/29/787478329.db2.gz XDHJGGOXNJPHSX-MHSYXAOVSA-N -2 3 327.249 -2.088 20 0 EAADHL O=C(Nc1nnc(-c2ccco2)o1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144895794 787477919 /nfs/dbraw/zinc/47/79/19/787477919.db2.gz XDHJGGOXNJPHSX-UIISKDMLSA-N -2 3 327.249 -2.088 20 0 EAADHL O=C(Nc1cc(Cl)nnc1Cl)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144896358 787478699 /nfs/dbraw/zinc/47/86/99/787478699.db2.gz ZQPPXOKSYQGXKS-JSKYLQRQSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cc(Cl)nnc1Cl)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144896361 787479092 /nfs/dbraw/zinc/47/90/92/787479092.db2.gz ZQPPXOKSYQGXKS-PRMYIZFSSA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cc(Cl)nnc1Cl)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144896364 787478753 /nfs/dbraw/zinc/47/87/53/787478753.db2.gz ZQPPXOKSYQGXKS-QPPQHZFASA-N -2 3 340.119 -1.634 20 0 EAADHL O=C(Nc1cc(Cl)nnc1Cl)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144896367 787478931 /nfs/dbraw/zinc/47/89/31/787478931.db2.gz ZQPPXOKSYQGXKS-UBKIQSJTSA-N -2 3 340.119 -1.634 20 0 EAADHL Cc1cc2n(n1)c(=O)cc(C)n2C(=O)C([O-])=C([O-])[C@H](O)[C@H](O)CO ZINC001144901166 787482866 /nfs/dbraw/zinc/48/28/66/787482866.db2.gz ZQBCXHIAGWGZCC-GGZOMVNGSA-N -2 3 339.304 -2.603 20 0 EAADHL Cc1cc2n(n1)c(=O)cc(C)n2C(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO ZINC001144901167 787483538 /nfs/dbraw/zinc/48/35/38/787483538.db2.gz ZQBCXHIAGWGZCC-JFUSQASVSA-N -2 3 339.304 -2.603 20 0 EAADHL Cc1cc2n(n1)c(=O)cc(C)n2C(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO ZINC001144901168 787483349 /nfs/dbraw/zinc/48/33/49/787483349.db2.gz ZQBCXHIAGWGZCC-KPXOXKRLSA-N -2 3 339.304 -2.603 20 0 EAADHL Cc1cc2n(n1)c(=O)cc(C)n2C(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO ZINC001144901169 787483199 /nfs/dbraw/zinc/48/31/99/787483199.db2.gz ZQBCXHIAGWGZCC-XXILOJSOSA-N -2 3 339.304 -2.603 20 0 EAADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)NCCNCc1n[nH]c(=O)[n-]1 ZINC001147699462 787559982 /nfs/dbraw/zinc/55/99/82/787559982.db2.gz MJYOZAQWZRKKIR-UHFFFAOYSA-N -2 3 325.285 -1.760 20 0 EAADHL Cn1[n-]c(CNCCNC(=O)c2ccc3oc(=O)nc-3[n-]2)nc1=O ZINC001147705040 787561168 /nfs/dbraw/zinc/56/11/68/787561168.db2.gz CMNTUJPJLXXDIQ-UHFFFAOYSA-N -2 3 333.308 -1.130 20 0 EAADHL O=C(NCCNCc1n[nH]c(=O)[n-]1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001148337750 787583031 /nfs/dbraw/zinc/58/30/31/787583031.db2.gz XXTDTOYDIAQQRQ-UHFFFAOYSA-N -2 3 330.304 -1.087 20 0 EAADHL Cn1nnc2c(C(=O)NCCCCP(=O)([O-])[O-])ncn2c1=O ZINC001152758974 793240878 /nfs/dbraw/zinc/24/08/78/793240878.db2.gz CZGFUBUZOQIDDU-UHFFFAOYSA-N -2 3 330.241 -1.489 20 0 EAADHL O=C(CCc1n[nH]c(=O)[n-]c1=O)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001161714993 793608046 /nfs/dbraw/zinc/60/80/46/793608046.db2.gz BAPUFKFEUHREQV-UHFFFAOYSA-N -2 3 338.328 -1.665 20 0 EAADHL O=C(NCCCNCc1n[nH]c(=O)[n-]1)c1c[n-]n2c1nccc2=O ZINC001167784512 785366823 /nfs/dbraw/zinc/36/68/23/785366823.db2.gz YSQIBAYYVMXRCT-UHFFFAOYSA-N -2 3 332.324 -1.244 20 0 EAADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCNCc1n[nH]c(=O)[n-]1 ZINC001168641801 786139394 /nfs/dbraw/zinc/13/93/94/786139394.db2.gz OBZMQTJKWBTKDJ-UHFFFAOYSA-N -2 3 347.339 -1.809 20 0 EAADHL O=C(NCCCNCc1n[nH]c(=O)[n-]1)c1cc(=O)n2[n-]cnc2n1 ZINC001171080592 787438513 /nfs/dbraw/zinc/43/85/13/787438513.db2.gz WVMICOKGNLDNGR-UHFFFAOYSA-N -2 3 333.312 -1.849 20 0 EAADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)Cc1nn[n-]n1 ZINC001176846198 787874106 /nfs/dbraw/zinc/87/41/06/787874106.db2.gz XQEUYKZJMKDPQM-QMMMGPOBSA-N -2 3 336.312 -2.216 20 0 EAADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)Cc1nnn[n-]1 ZINC001176846198 787874096 /nfs/dbraw/zinc/87/40/96/787874096.db2.gz XQEUYKZJMKDPQM-QMMMGPOBSA-N -2 3 336.312 -2.216 20 0 EAADHL O=C(Cc1nnn[n-]1)NCC[N-]C(=O)C(F)(F)Br ZINC001176848964 787875033 /nfs/dbraw/zinc/87/50/33/787875033.db2.gz IXBSCHNOTPKESS-UHFFFAOYSA-N -2 3 327.089 -1.038 20 0 EAADHL O=C(Cc1nn[n-]n1)NCC[N-]C(=O)C(F)(F)Br ZINC001176848964 787875023 /nfs/dbraw/zinc/87/50/23/787875023.db2.gz IXBSCHNOTPKESS-UHFFFAOYSA-N -2 3 327.089 -1.038 20 0 EAADHL O=C(CN1CCS(=O)(=O)CC1)NCCCCP(=O)([O-])[O-] ZINC001180598275 787968985 /nfs/dbraw/zinc/96/89/85/787968985.db2.gz JVZOYDSBYMJXHL-UHFFFAOYSA-N -2 3 328.327 -1.209 20 0 EAADHL COC(=O)[C@H](CCC(=O)[O-])NC(=O)Cn1cc(F)c(=O)[n-]c1=O ZINC001183662601 790334648 /nfs/dbraw/zinc/33/46/48/790334648.db2.gz NFMNHQQEJHTBRG-ZETCQYMHSA-N -2 3 331.256 -1.389 20 0 EAADHL C[C@@H]1NC(=O)[C@H](CCC(=O)NCCCCP(=O)([O-])[O-])NC1=O ZINC001184094833 790356344 /nfs/dbraw/zinc/35/63/44/790356344.db2.gz XTUDGVJVYRFYOT-IUCAKERBSA-N -2 3 335.297 -1.156 20 0 EAADHL C[C@H]1[C@H](NC(=O)c2[n-]c(=O)ccc2Cl)C(=O)N1S(=O)(=O)[O-] ZINC001184815600 790379267 /nfs/dbraw/zinc/37/92/67/790379267.db2.gz FMNBUOLEFYHFRJ-FFWSUHOLSA-N -2 3 335.725 -1.001 20 0 EAADHL Cc1oncc1S(=O)(=O)[N-][C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001187391799 790469791 /nfs/dbraw/zinc/46/97/91/790469791.db2.gz RTWNXMVBKCZIDT-FFWSUHOLSA-N -2 3 325.324 -1.337 20 0 EAADHL C[C@H]1[C@H](NC(=O)c2[n-]nnc2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001187771214 790487297 /nfs/dbraw/zinc/48/72/97/790487297.db2.gz ZHYHKEWPRJGUKX-HRFVKAFMSA-N -2 3 343.243 -1.045 20 0 EAADHL C[C@H]1[C@H](NC(=O)c2nn[n-]c2C(F)(F)F)C(=O)N1S(=O)(=O)[O-] ZINC001187771214 790487287 /nfs/dbraw/zinc/48/72/87/790487287.db2.gz ZHYHKEWPRJGUKX-HRFVKAFMSA-N -2 3 343.243 -1.045 20 0 EAADHL C[C@H]1[C@H]([N-]S(=O)(=O)C[C@@H]2CCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001193286279 790832610 /nfs/dbraw/zinc/83/26/10/790832610.db2.gz QNOUDAARQLMTRW-FXQIFTODSA-N -2 3 328.368 -1.513 20 0 EAADHL C[C@H]1[C@H]([N-]S(=O)(=O)C[C@H]2CCCO2)C(=O)N1S(=O)(=O)[O-] ZINC001193286280 790831754 /nfs/dbraw/zinc/83/17/54/790831754.db2.gz QNOUDAARQLMTRW-RNJXMRFFSA-N -2 3 328.368 -1.513 20 0 EAADHL COc1ccnc(C(=O)N[C@@H]2C(=O)N(S(=O)(=O)[O-])[C@H]2C)c1[O-] ZINC001193543581 790867901 /nfs/dbraw/zinc/86/79/01/790867901.db2.gz 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