smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCOCC1 ZINC000852959160 939241615 /nfs/dbraw/zinc/24/16/15/939241615.db2.gz GNVUVBGQCKUABZ-UHFFFAOYSA-N -2 3 386.401 0.630 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@H](OC)C2)c(C)o1 ZINC000568246684 939365730 /nfs/dbraw/zinc/36/57/30/939365730.db2.gz VOBNZVBVYOULTO-MJVIPROJSA-N -2 3 388.442 0.884 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@H](OC)C2)c(C)o1 ZINC000568246685 939365882 /nfs/dbraw/zinc/36/58/82/939365882.db2.gz VOBNZVBVYOULTO-SUNKGSAMSA-N -2 3 388.442 0.884 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)nn1C ZINC000820187729 945370037 /nfs/dbraw/zinc/37/00/37/945370037.db2.gz OKXXFNZPPKCLEF-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000820187729 945370050 /nfs/dbraw/zinc/37/00/50/945370050.db2.gz OKXXFNZPPKCLEF-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000820187682 945370173 /nfs/dbraw/zinc/37/01/73/945370173.db2.gz MKBDVWWKQIVPOB-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000820187682 945370191 /nfs/dbraw/zinc/37/01/91/945370191.db2.gz MKBDVWWKQIVPOB-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]N1Cc2ccccc2C1=O ZINC001571268001 945585258 /nfs/dbraw/zinc/58/52/58/945585258.db2.gz KXQCFPUFEIQLAG-UHFFFAOYSA-N -2 3 386.393 0.725 20 0 GCADHL COc1ncc(NC(=O)NCc2cc(=O)[n-]c(SC)n2)cc1-c1nnn[n-]1 ZINC001571291327 946076314 /nfs/dbraw/zinc/07/63/14/946076314.db2.gz IHPMOKZVFFITGA-UHFFFAOYSA-N -2 3 389.401 0.810 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1nc(C(F)(F)F)no1 ZINC001571295149 946154258 /nfs/dbraw/zinc/15/42/58/946154258.db2.gz UZTYYSJJSPESDN-RXMQYKEDSA-N -2 3 390.307 0.703 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1nc(C(F)(F)F)no1 ZINC001571295149 946154266 /nfs/dbraw/zinc/15/42/66/946154266.db2.gz UZTYYSJJSPESDN-RXMQYKEDSA-N -2 3 390.307 0.703 20 0 GCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nnn[n-]2)c1 ZINC001571296129 946185743 /nfs/dbraw/zinc/18/57/43/946185743.db2.gz OTHXXCDPGPJKHO-SNVBAGLBSA-N -2 3 390.429 0.567 20 0 GCADHL Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nn[n-]n2)c1 ZINC001571296129 946185746 /nfs/dbraw/zinc/18/57/46/946185746.db2.gz OTHXXCDPGPJKHO-SNVBAGLBSA-N -2 3 390.429 0.567 20 0 GCADHL O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2)c1ccccc1[O-] ZINC001571310260 946465367 /nfs/dbraw/zinc/46/53/67/946465367.db2.gz ZVULYLIOHMGTOW-UONOGXRCSA-N -2 3 392.423 0.937 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000823994209 946536098 /nfs/dbraw/zinc/53/60/98/946536098.db2.gz DJVIDUGVVRGPEK-ZDUSSCGKSA-N -2 3 394.457 0.531 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000823994209 946536109 /nfs/dbraw/zinc/53/61/09/946536109.db2.gz DJVIDUGVVRGPEK-ZDUSSCGKSA-N -2 3 394.457 0.531 20 0 GCADHL CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001573553673 946889932 /nfs/dbraw/zinc/88/99/32/946889932.db2.gz ZGFZFOKSUUAFFH-UHFFFAOYSA-N -2 3 379.340 0.093 20 0 GCADHL CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001573553673 946889945 /nfs/dbraw/zinc/88/99/45/946889945.db2.gz ZGFZFOKSUUAFFH-UHFFFAOYSA-N -2 3 379.340 0.093 20 0 GCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)COC1 ZINC000824783014 946931296 /nfs/dbraw/zinc/93/12/96/946931296.db2.gz BKAZCXDETZLIGU-UHFFFAOYSA-N -2 3 391.331 0.727 20 0 GCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)COC1 ZINC000824783014 946931305 /nfs/dbraw/zinc/93/13/05/946931305.db2.gz BKAZCXDETZLIGU-UHFFFAOYSA-N -2 3 391.331 0.727 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825564660 947222990 /nfs/dbraw/zinc/22/29/90/947222990.db2.gz BKBCZTKUNPJVIA-UHFFFAOYSA-N -2 3 391.413 0.886 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825564660 947222999 /nfs/dbraw/zinc/22/29/99/947222999.db2.gz BKBCZTKUNPJVIA-UHFFFAOYSA-N -2 3 391.413 0.886 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825565551 947224511 /nfs/dbraw/zinc/22/45/11/947224511.db2.gz VGCWDQSGHWBKNH-UHFFFAOYSA-N -2 3 391.413 0.886 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825565551 947224523 /nfs/dbraw/zinc/22/45/23/947224523.db2.gz VGCWDQSGHWBKNH-UHFFFAOYSA-N -2 3 391.413 0.886 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000826174161 947539696 /nfs/dbraw/zinc/53/96/96/947539696.db2.gz KZGYYMNZWIVRLM-JTQLQIEISA-N -2 3 375.385 0.966 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826272344 947789686 /nfs/dbraw/zinc/78/96/86/947789686.db2.gz FGVYCZZIVSFFKO-UHFFFAOYSA-N -2 3 377.382 0.960 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450386 948315988 /nfs/dbraw/zinc/31/59/88/948315988.db2.gz JYGNXNALWXBENW-UHFFFAOYSA-N -2 3 386.353 0.364 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450386 948315996 /nfs/dbraw/zinc/31/59/96/948315996.db2.gz JYGNXNALWXBENW-UHFFFAOYSA-N -2 3 386.353 0.364 20 0 GCADHL C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527929 950912704 /nfs/dbraw/zinc/91/27/04/950912704.db2.gz IQAFLSBJGWCDJC-UWVGGRQHSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527929 950912721 /nfs/dbraw/zinc/91/27/21/950912721.db2.gz IQAFLSBJGWCDJC-UWVGGRQHSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574527930 950913671 /nfs/dbraw/zinc/91/36/71/950913671.db2.gz IQAFLSBJGWCDJC-VHSXEESVSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NC(=O)c1ncccc1[O-] ZINC001574527930 950913687 /nfs/dbraw/zinc/91/36/87/950913687.db2.gz IQAFLSBJGWCDJC-VHSXEESVSA-N -2 3 384.400 0.622 20 0 GCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)CC2)n[n-]1 ZINC001591279549 951119584 /nfs/dbraw/zinc/11/95/84/951119584.db2.gz QEAOMPZLMODDOO-CHWSQXEVSA-N -2 3 394.428 0.957 20 0 GCADHL CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3CO[C@H](CCC(=O)[O-])C3)CC2)[n-]1 ZINC001591279549 951119593 /nfs/dbraw/zinc/11/95/93/951119593.db2.gz QEAOMPZLMODDOO-CHWSQXEVSA-N -2 3 394.428 0.957 20 0 GCADHL C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136741 952127531 /nfs/dbraw/zinc/12/75/31/952127531.db2.gz WCZOAFXHBMLASF-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136741 952127536 /nfs/dbraw/zinc/12/75/36/952127536.db2.gz WCZOAFXHBMLASF-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@](CNc1ccnc(-c2nnn[n-]2)n1)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001575142707 952148546 /nfs/dbraw/zinc/14/85/46/952148546.db2.gz LBNHECDIYLZWKJ-GOSISDBHSA-N -2 3 380.412 0.795 20 0 GCADHL O=C([O-])Cn1cccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1=O ZINC001595154061 952155197 /nfs/dbraw/zinc/15/51/97/952155197.db2.gz ITGLIHJRJFWSRU-UHFFFAOYSA-N -2 3 385.376 0.237 20 0 GCADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC001595201555 952316000 /nfs/dbraw/zinc/31/60/00/952316000.db2.gz QJKNZGDJOVEJPV-WRXNHJIOSA-N -2 3 375.204 0.633 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[n-]n2)n1)c1ncccc1[O-] ZINC001571139069 952618402 /nfs/dbraw/zinc/61/84/02/952618402.db2.gz BLDVNRNLCFWZNM-MXWKQRLJSA-N -2 3 379.384 0.297 20 0 GCADHL CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nn1 ZINC001571174693 952812346 /nfs/dbraw/zinc/81/23/46/952812346.db2.gz FINBMTIEVPRUSY-LLVKDONJSA-N -2 3 381.400 0.498 20 0 GCADHL CN(C[C@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nn1 ZINC001571174693 952812352 /nfs/dbraw/zinc/81/23/52/952812352.db2.gz FINBMTIEVPRUSY-LLVKDONJSA-N -2 3 381.400 0.498 20 0 GCADHL O=C(N[C@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001571176151 952829650 /nfs/dbraw/zinc/82/96/50/952829650.db2.gz MSTBBXXUILJDBJ-QWRGUYRKSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001571176151 952829654 /nfs/dbraw/zinc/82/96/54/952829654.db2.gz MSTBBXXUILJDBJ-QWRGUYRKSA-N -2 3 381.400 0.768 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239256 953237032 /nfs/dbraw/zinc/23/70/32/953237032.db2.gz RIMLSOFZBYZORZ-ZJUUUORDSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1[nH]nc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239478 953239342 /nfs/dbraw/zinc/23/93/42/953239342.db2.gz VARABOWUOAHPHI-SNVBAGLBSA-N -2 3 384.404 0.135 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594759005 953497408 /nfs/dbraw/zinc/49/74/08/953497408.db2.gz VZLXQZTWCJMVKT-CZMCAQCFSA-N -2 3 393.824 0.920 20 0 GCADHL CC[C@H]([N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)[O-] ZINC001593624713 953542862 /nfs/dbraw/zinc/54/28/62/953542862.db2.gz KFVJISDLGBIKLW-QMMMGPOBSA-N -2 3 377.220 0.942 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC000590601484 953739374 /nfs/dbraw/zinc/73/93/74/953739374.db2.gz YXGAWCAQTLURCF-ZDUSSCGKSA-N -2 3 382.369 0.982 20 0 GCADHL O=C([O-])C1=NO[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001594892343 954545036 /nfs/dbraw/zinc/54/50/36/954545036.db2.gz STNAGYDFNQKVOB-SSDOTTSWSA-N -2 3 381.819 0.026 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)C[C@H]2C(=O)[O-] ZINC001593824023 955071595 /nfs/dbraw/zinc/07/15/95/955071595.db2.gz OVXNUYYVGVPEIE-PNSNSFJUSA-N -2 3 375.381 0.786 20 0 GCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC001594539216 955614316 /nfs/dbraw/zinc/61/43/16/955614316.db2.gz NEJABXLFYMOKKW-NEPJUHHUSA-N -2 3 382.376 0.634 20 0 GCADHL C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001603158970 972260198 /nfs/dbraw/zinc/26/01/98/972260198.db2.gz NAALNXXJYSRQBD-UTUOFQBUSA-N -2 3 395.378 0.077 20 0 GCADHL COc1cc(CS(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)sn1 ZINC001594058587 958065587 /nfs/dbraw/zinc/06/55/87/958065587.db2.gz GNRAFOJOIGQRDV-JTQLQIEISA-N -2 3 377.444 0.037 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(=O)[nH]n2)c(Br)o1 ZINC000391394841 972332946 /nfs/dbraw/zinc/33/29/46/972332946.db2.gz VLLDSHMEZHKQSV-UHFFFAOYSA-N -2 3 378.160 0.714 20 0 GCADHL O=C([O-])[C@@H]1CC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)=NN1c1ccccc1 ZINC001605749470 972402577 /nfs/dbraw/zinc/40/25/77/972402577.db2.gz QMUBFUNBPCXRJO-DOMZBBRYSA-N -2 3 396.407 0.597 20 0 GCADHL CC(C)CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000228690198 960038001 /nfs/dbraw/zinc/03/80/01/960038001.db2.gz ILSOBKZVSNUQKT-UHFFFAOYSA-N -2 3 383.220 0.791 20 0 GCADHL CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001588659285 960429289 /nfs/dbraw/zinc/42/92/89/960429289.db2.gz LLVOBYXNFJRDKW-AXFHLTTASA-N -2 3 379.379 0.982 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001574571153 962059312 /nfs/dbraw/zinc/05/93/12/962059312.db2.gz VZLXQZTWCJMVKT-WAAGHKOSSA-N -2 3 393.824 0.920 20 0 GCADHL O=C([O-])[C@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000263394203 962554904 /nfs/dbraw/zinc/55/49/04/962554904.db2.gz QXRWQIVAMVOEPI-JTQLQIEISA-N -2 3 391.396 0.749 20 0 GCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)nn1 ZINC000291800678 962901660 /nfs/dbraw/zinc/90/16/60/962901660.db2.gz BCUWEFZIPHLGMW-UHFFFAOYSA-N -2 3 398.294 0.993 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C[C@H]2C(=O)[O-] ZINC001593821012 970151627 /nfs/dbraw/zinc/15/16/27/970151627.db2.gz OAZRWPDWANGLLN-MMSRSVNZSA-N -2 3 391.424 0.844 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C[C@@H]2C(=O)[O-] ZINC001593821011 970151643 /nfs/dbraw/zinc/15/16/43/970151643.db2.gz OAZRWPDWANGLLN-GBRVTDDUSA-N -2 3 391.424 0.844 20 0 GCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NS(=O)(=O)N3CCC(C(=O)[O-])CC3)C2)n1 ZINC001605093348 972748716 /nfs/dbraw/zinc/74/87/16/972748716.db2.gz ZASJAWYZDRSGBM-ZDUSSCGKSA-N -2 3 399.473 0.090 20 0 GCADHL O=C([O-])CC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CO1 ZINC001606106948 973294997 /nfs/dbraw/zinc/29/49/97/973294997.db2.gz HJJMZFAMLXMQTK-ZBFHGGJFSA-N -2 3 376.409 0.947 20 0 GCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCN2C(=O)CCCC2=O)c1F ZINC000405485361 973890169 /nfs/dbraw/zinc/89/01/69/973890169.db2.gz LNKLBXNUKJUFND-UHFFFAOYSA-N -2 3 392.792 0.995 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)S(C)(=O)=O ZINC000697585749 976851860 /nfs/dbraw/zinc/85/18/60/976851860.db2.gz MCIYGJADRUEMGJ-RXMQYKEDSA-N -2 3 390.233 0.452 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCN(Cc3ccccc3)C2)on1 ZINC000702620656 977097487 /nfs/dbraw/zinc/09/74/87/977097487.db2.gz VCQBRLZZNIONHQ-MRXNPFEDSA-N 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COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-] ZINC000548531788 531117817 /nfs/dbraw/zinc/11/78/17/531117817.db2.gz WAMHDUVUSKZZKN-MRVPVSSYSA-N -3 3 387.391 0.894 20 0 GCADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000548544134 531118482 /nfs/dbraw/zinc/11/84/82/531118482.db2.gz TWEZRHCQVPNEIP-VIFPVBQESA-N -3 3 382.435 0.976 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cn2nc(C)cc2C)C(=O)[O-])s1 ZINC000548538503 531118541 /nfs/dbraw/zinc/11/85/41/531118541.db2.gz POITVQYOAJJYNF-SNVBAGLBSA-N -2 3 387.439 0.780 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@@H](COC)C(=O)[O-])c1OC ZINC000551914081 531140189 /nfs/dbraw/zinc/14/01/89/531140189.db2.gz PEKCXDGBWFLPMZ-VIFPVBQESA-N -2 3 380.806 0.086 20 0 GCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000432965878 531126663 /nfs/dbraw/zinc/12/66/63/531126663.db2.gz IMFFBWOUCPQXQU-UHFFFAOYSA-N -2 3 382.427 0.666 20 0 GCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000432965878 531126664 /nfs/dbraw/zinc/12/66/64/531126664.db2.gz IMFFBWOUCPQXQU-UHFFFAOYSA-N -2 3 382.427 0.666 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CCCO1 ZINC000433475499 531130112 /nfs/dbraw/zinc/13/01/12/531130112.db2.gz RWYOLONWDXNECU-OLZOCXBDSA-N -2 3 396.462 0.670 20 0 GCADHL NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000433502042 531130541 /nfs/dbraw/zinc/13/05/41/531130541.db2.gz NYMQXMOXSHHMEQ-UHFFFAOYSA-N -3 3 390.370 0.678 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000675944976 531134066 /nfs/dbraw/zinc/13/40/66/531134066.db2.gz YFGNYSSVLYIEDW-ZETCQYMHSA-N -2 3 388.427 0.681 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000550919210 531134556 /nfs/dbraw/zinc/13/45/56/531134556.db2.gz HEZFCYDVNYTWDT-UHFFFAOYSA-N -2 3 385.623 0.582 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000551594157 531138311 /nfs/dbraw/zinc/13/83/11/531138311.db2.gz YJQOHAOKEIKEPS-APPZFPTMSA-N -2 3 380.444 0.865 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1ccc(F)cc1[O-] ZINC000436817684 531147527 /nfs/dbraw/zinc/14/75/27/531147527.db2.gz BVOHONKBTBUWLI-UHFFFAOYSA-N -2 3 375.403 0.710 20 0 GCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC000629285412 531161604 /nfs/dbraw/zinc/16/16/04/531161604.db2.gz UAMUKRDHOIWXQE-UHFFFAOYSA-N -2 3 383.195 0.376 20 0 GCADHL C[C@]1(C(=O)[O-])CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000554289406 531161324 /nfs/dbraw/zinc/16/13/24/531161324.db2.gz AMUDPWIJWNCXMB-HNNXBMFYSA-N -2 3 376.381 0.956 20 0 GCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-] ZINC000629301785 531162867 /nfs/dbraw/zinc/16/28/67/531162867.db2.gz PWSKMAQNZDMWBZ-UHFFFAOYSA-N -2 3 397.222 0.766 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N1CCc2c(=O)[n-]cnc2C1 ZINC000554780821 531165091 /nfs/dbraw/zinc/16/50/91/531165091.db2.gz YABSFLOMJNSHIO-UHFFFAOYSA-N -2 3 388.858 0.760 20 0 GCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000681563544 531167325 /nfs/dbraw/zinc/16/73/25/531167325.db2.gz UORZICXUHVBDLT-ZCFIWIBFSA-N -3 3 378.746 0.371 20 0 GCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)[C@H]1C(=O)[O-] ZINC000555374540 531169170 /nfs/dbraw/zinc/16/91/70/531169170.db2.gz LSDRFLJXAWZOFD-QMTHXVAHSA-N -2 3 388.467 0.611 20 0 GCADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 ZINC000564856864 531177250 /nfs/dbraw/zinc/17/72/50/531177250.db2.gz WHXVCXYJIFBLTH-HAQNSBGRSA-N -2 3 388.467 0.613 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CF)C(=O)[O-])cc1 ZINC000564926058 531177968 /nfs/dbraw/zinc/17/79/68/531177968.db2.gz DZPONHKVOKJAFJ-GFCCVEGCSA-N -2 3 382.435 0.929 20 0 GCADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000565818663 531190404 /nfs/dbraw/zinc/19/04/04/531190404.db2.gz WYJVQJYHMMFDNX-NEPJUHHUSA-N -2 3 390.483 0.859 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)NCc1n[nH]c(=O)[n-]1 ZINC000685770754 531193724 /nfs/dbraw/zinc/19/37/24/531193724.db2.gz FHTOYQVRKPTKQZ-UHFFFAOYSA-N -2 3 379.320 0.124 20 0 GCADHL O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738345456 598842520 /nfs/dbraw/zinc/84/25/20/598842520.db2.gz MUDNQWCACYBDOP-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL O=S(=O)([N-]c1ccc(-n2cncn2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738345456 598842521 /nfs/dbraw/zinc/84/25/21/598842521.db2.gz MUDNQWCACYBDOP-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736932862 598845264 /nfs/dbraw/zinc/84/52/64/598845264.db2.gz VIIUQDSMHXYCPK-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736932862 598845265 /nfs/dbraw/zinc/84/52/65/598845265.db2.gz VIIUQDSMHXYCPK-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1COc2ccccc21 ZINC000738137991 598856214 /nfs/dbraw/zinc/85/62/14/598856214.db2.gz BWNVOBPWOQIKIU-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1COc2ccccc21 ZINC000738137991 598856215 /nfs/dbraw/zinc/85/62/15/598856215.db2.gz BWNVOBPWOQIKIU-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cn12 ZINC000737531981 598856450 /nfs/dbraw/zinc/85/64/50/598856450.db2.gz HUIGXEHGICBCRU-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737531981 598856452 /nfs/dbraw/zinc/85/64/52/598856452.db2.gz HUIGXEHGICBCRU-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737511942 598857548 /nfs/dbraw/zinc/85/75/48/598857548.db2.gz SAPRFINVFRCTQJ-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737511942 598857549 /nfs/dbraw/zinc/85/75/49/598857549.db2.gz SAPRFINVFRCTQJ-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737833422 598858563 /nfs/dbraw/zinc/85/85/63/598858563.db2.gz RLOAYYDQDDSAJV-CQSZACIVSA-N -2 3 395.441 0.651 20 0 GCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000737833422 598858564 /nfs/dbraw/zinc/85/85/64/598858564.db2.gz RLOAYYDQDDSAJV-CQSZACIVSA-N -2 3 395.441 0.651 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000737224954 598948757 /nfs/dbraw/zinc/94/87/57/598948757.db2.gz JLZKOSJDJGHMRP-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000737224954 598948758 /nfs/dbraw/zinc/94/87/58/598948758.db2.gz JLZKOSJDJGHMRP-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)c2n1 ZINC000737437298 598974961 /nfs/dbraw/zinc/97/49/61/598974961.db2.gz TUXHRXZHDCXHPV-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)c2n1 ZINC000737437298 598974962 /nfs/dbraw/zinc/97/49/62/598974962.db2.gz TUXHRXZHDCXHPV-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000737299991 598974967 /nfs/dbraw/zinc/97/49/67/598974967.db2.gz TVSJBSKSCVNADD-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(C(N)=O)c1 ZINC000737299991 598974969 /nfs/dbraw/zinc/97/49/69/598974969.db2.gz TVSJBSKSCVNADD-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737298466 598976634 /nfs/dbraw/zinc/97/66/34/598976634.db2.gz KLZUSXWTELPGEA-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737298466 598976636 /nfs/dbraw/zinc/97/66/36/598976636.db2.gz KLZUSXWTELPGEA-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736731623 598977763 /nfs/dbraw/zinc/97/77/63/598977763.db2.gz PEYLRUQPVYACIH-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736731623 598977765 /nfs/dbraw/zinc/97/77/65/598977765.db2.gz PEYLRUQPVYACIH-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737770358 599098674 /nfs/dbraw/zinc/09/86/74/599098674.db2.gz UYNAOPZOBIUQRJ-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737770358 599098678 /nfs/dbraw/zinc/09/86/78/599098678.db2.gz UYNAOPZOBIUQRJ-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cncn2)c1 ZINC000738138148 599150969 /nfs/dbraw/zinc/15/09/69/599150969.db2.gz DTPIKMQCPXKBFR-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cncn2)c1 ZINC000738138148 599150972 /nfs/dbraw/zinc/15/09/72/599150972.db2.gz DTPIKMQCPXKBFR-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000821663619 599302311 /nfs/dbraw/zinc/30/23/11/599302311.db2.gz GNLCEFLGWGUYED-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000821663619 599302313 /nfs/dbraw/zinc/30/23/13/599302313.db2.gz GNLCEFLGWGUYED-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnn2ccccc12 ZINC000738139776 599219720 /nfs/dbraw/zinc/21/97/20/599219720.db2.gz PPZKERJFYZZUMJ-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnn2ccccc12 ZINC000738139776 599219722 /nfs/dbraw/zinc/21/97/22/599219722.db2.gz PPZKERJFYZZUMJ-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000821669618 599232658 /nfs/dbraw/zinc/23/26/58/599232658.db2.gz UXZBJZYILQERKL-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000821669618 599232660 /nfs/dbraw/zinc/23/26/60/599232660.db2.gz UXZBJZYILQERKL-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL O=C([O-])[C@@H]1CC(C(=O)NCCNC(=O)c2ccc([O-])cc2)=NN1c1ccccc1 ZINC000740441796 596961455 /nfs/dbraw/zinc/96/14/55/596961455.db2.gz NKOBFIPZYGPYOF-KRWDZBQOSA-N -2 3 396.403 0.958 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000737301780 599262306 /nfs/dbraw/zinc/26/23/06/599262306.db2.gz ULCZOYZKIOXXCF-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000737301780 599262308 /nfs/dbraw/zinc/26/23/08/599262308.db2.gz ULCZOYZKIOXXCF-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821088592 607319367 /nfs/dbraw/zinc/31/93/67/607319367.db2.gz PDYCXLLIQZJCGR-CQSZACIVSA-N -2 3 396.473 0.973 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821088592 607319368 /nfs/dbraw/zinc/31/93/68/607319368.db2.gz PDYCXLLIQZJCGR-CQSZACIVSA-N -2 3 396.473 0.973 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821088591 607319510 /nfs/dbraw/zinc/31/95/10/607319510.db2.gz PDYCXLLIQZJCGR-AWEZNQCLSA-N -2 3 396.473 0.973 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821088591 607319511 /nfs/dbraw/zinc/31/95/11/607319511.db2.gz PDYCXLLIQZJCGR-AWEZNQCLSA-N -2 3 396.473 0.973 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736170004 598306732 /nfs/dbraw/zinc/30/67/32/598306732.db2.gz QLUWFLIGMUDFBH-RISCZKNCSA-N -2 3 395.441 0.649 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736732642 598307059 /nfs/dbraw/zinc/30/70/59/598307059.db2.gz XOXJLBIWIZDEKX-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736732642 598307060 /nfs/dbraw/zinc/30/70/60/598307060.db2.gz XOXJLBIWIZDEKX-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736623657 598331737 /nfs/dbraw/zinc/33/17/37/598331737.db2.gz KLYAMQVURATHKQ-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736623657 598331738 /nfs/dbraw/zinc/33/17/38/598331738.db2.gz KLYAMQVURATHKQ-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737014870 598332988 /nfs/dbraw/zinc/33/29/88/598332988.db2.gz KHXCPGCQEXMERM-UHFFFAOYSA-N -2 3 377.386 0.483 20 0 GCADHL Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000737503450 598333822 /nfs/dbraw/zinc/33/38/22/598333822.db2.gz VWKJWOIRWSPPKK-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1nccn1-c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cn1 ZINC000737503450 598333824 /nfs/dbraw/zinc/33/38/24/598333824.db2.gz VWKJWOIRWSPPKK-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1nn2c([n-]nc2SCC(=O)Nc2sccc2-c2nnn[n-]2)nc1=O ZINC000737521008 598378885 /nfs/dbraw/zinc/37/88/85/598378885.db2.gz HBPZSQKYOBYXAV-UHFFFAOYSA-N -2 3 390.414 0.093 20 0 GCADHL Cc1nn2c([n-]nc2SCC(=O)Nc2sccc2-c2nn[n-]n2)nc1=O ZINC000737521008 598378887 /nfs/dbraw/zinc/37/88/87/598378887.db2.gz HBPZSQKYOBYXAV-UHFFFAOYSA-N -2 3 390.414 0.093 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nn1C ZINC000737236230 598415003 /nfs/dbraw/zinc/41/50/03/598415003.db2.gz GOEXOUUHOHWRFH-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nn1C ZINC000737236230 598415004 /nfs/dbraw/zinc/41/50/04/598415004.db2.gz GOEXOUUHOHWRFH-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1=O ZINC000737601943 598416607 /nfs/dbraw/zinc/41/66/07/598416607.db2.gz FUVFJEPNVLHLGT-UHFFFAOYSA-N -2 3 394.800 0.338 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1=O ZINC000737601943 598416608 /nfs/dbraw/zinc/41/66/08/598416608.db2.gz FUVFJEPNVLHLGT-UHFFFAOYSA-N -2 3 394.800 0.338 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737984879 598433761 /nfs/dbraw/zinc/43/37/61/598433761.db2.gz IRRBNVRNKBLWNT-UHFFFAOYSA-N -2 3 383.393 0.722 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737984879 598433763 /nfs/dbraw/zinc/43/37/63/598433763.db2.gz IRRBNVRNKBLWNT-UHFFFAOYSA-N -2 3 383.393 0.722 20 0 GCADHL CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000736398079 598472906 /nfs/dbraw/zinc/47/29/06/598472906.db2.gz YIRJDQIIQBOKAZ-SFHVURJKSA-N -2 3 392.379 0.764 20 0 GCADHL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000736227424 598472929 /nfs/dbraw/zinc/47/29/29/598472929.db2.gz DDNFWBYMVXPUPH-QGZVFWFLSA-N -2 3 378.352 0.374 20 0 GCADHL O=C(CSC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932189 598482307 /nfs/dbraw/zinc/48/23/07/598482307.db2.gz KQBPACSJEQVXIG-LBPRGKRZSA-N -2 3 397.482 0.974 20 0 GCADHL O=C(CSC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932189 598482308 /nfs/dbraw/zinc/48/23/08/598482308.db2.gz KQBPACSJEQVXIG-LBPRGKRZSA-N -2 3 397.482 0.974 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1C(F)F ZINC000737621430 598482609 /nfs/dbraw/zinc/48/26/09/598482609.db2.gz GTBRTZQCJQERGD-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1C(F)F ZINC000737621430 598482611 /nfs/dbraw/zinc/48/26/11/598482611.db2.gz GTBRTZQCJQERGD-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737520199 598536181 /nfs/dbraw/zinc/53/61/81/598536181.db2.gz CHHTXVLKNQSZTH-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737520199 598536184 /nfs/dbraw/zinc/53/61/84/598536184.db2.gz CHHTXVLKNQSZTH-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1)C1CC1 ZINC000738173774 598566483 /nfs/dbraw/zinc/56/64/83/598566483.db2.gz OWXJODJCZQKFGY-UHFFFAOYSA-N -2 3 386.397 0.806 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737023422 598612330 /nfs/dbraw/zinc/61/23/30/598612330.db2.gz FIRCYJDVKULUOM-GFCCVEGCSA-N -2 3 387.396 0.967 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000737023422 598612332 /nfs/dbraw/zinc/61/23/32/598612332.db2.gz FIRCYJDVKULUOM-GFCCVEGCSA-N -2 3 387.396 0.967 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735794833 598733628 /nfs/dbraw/zinc/73/36/28/598733628.db2.gz GBWUBSDPMSQCBJ-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735794833 598733629 /nfs/dbraw/zinc/73/36/29/598733629.db2.gz GBWUBSDPMSQCBJ-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735795496 598734759 /nfs/dbraw/zinc/73/47/59/598734759.db2.gz MYECTQRBKUSLDQ-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735795496 598734760 /nfs/dbraw/zinc/73/47/60/598734760.db2.gz MYECTQRBKUSLDQ-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736624692 598740056 /nfs/dbraw/zinc/74/00/56/598740056.db2.gz DMNDNKJXGCDFKX-UHFFFAOYSA-N -2 3 397.457 0.898 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736624692 598740057 /nfs/dbraw/zinc/74/00/57/598740057.db2.gz DMNDNKJXGCDFKX-UHFFFAOYSA-N -2 3 397.457 0.898 20 0 GCADHL COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736966764 598785437 /nfs/dbraw/zinc/78/54/37/598785437.db2.gz AIVLVDSKNSVSJX-ZETCQYMHSA-N -2 3 393.347 0.973 20 0 GCADHL COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736966764 598785438 /nfs/dbraw/zinc/78/54/38/598785438.db2.gz AIVLVDSKNSVSJX-ZETCQYMHSA-N -2 3 393.347 0.973 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737628096 598799311 /nfs/dbraw/zinc/79/93/11/598799311.db2.gz NNZYDPICKDOUFT-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737628096 598799312 /nfs/dbraw/zinc/79/93/12/598799312.db2.gz NNZYDPICKDOUFT-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737628787 598799389 /nfs/dbraw/zinc/79/93/89/598799389.db2.gz QPSKVFAXUFDAJD-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737628787 598799390 /nfs/dbraw/zinc/79/93/90/598799390.db2.gz QPSKVFAXUFDAJD-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000737300534 599562832 /nfs/dbraw/zinc/56/28/32/599562832.db2.gz AIOYPVAJRHWCLT-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820132388 599619674 /nfs/dbraw/zinc/61/96/74/599619674.db2.gz IYJPUSCAJNAEAG-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820132388 599619675 /nfs/dbraw/zinc/61/96/75/599619675.db2.gz IYJPUSCAJNAEAG-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)s1 ZINC000737559725 599769012 /nfs/dbraw/zinc/76/90/12/599769012.db2.gz WTZQWEABBBVDRB-UHFFFAOYSA-N -2 3 380.425 0.426 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCN(C(=O)c3ccncc3)CC2)o1 ZINC000740175727 599774927 /nfs/dbraw/zinc/77/49/27/599774927.db2.gz WZAGSWODGULXQE-UHFFFAOYSA-N -2 3 379.394 0.956 20 0 GCADHL Cc1ccc(C(=O)NCCC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000738260306 599789005 /nfs/dbraw/zinc/78/90/05/599789005.db2.gz NMSJAJRBHBJHRL-UHFFFAOYSA-N -2 3 392.408 0.687 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000826249726 607399574 /nfs/dbraw/zinc/39/95/74/607399574.db2.gz RBDVKILFTANDAK-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000826249726 607399575 /nfs/dbraw/zinc/39/95/75/607399575.db2.gz RBDVKILFTANDAK-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL O=C([O-])[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000262156545 600070793 /nfs/dbraw/zinc/07/07/93/600070793.db2.gz RYGXRKZVRFDCDF-ZETCQYMHSA-N -2 3 397.272 0.865 20 0 GCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CN2CCOCC2)c2ccccc2)c1C(=O)[O-] ZINC000738339342 600230397 /nfs/dbraw/zinc/23/03/97/600230397.db2.gz YYTKVMXQUQWDOW-AWEZNQCLSA-N -2 3 394.453 0.768 20 0 GCADHL COC(=O)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000737592834 600242449 /nfs/dbraw/zinc/24/24/49/600242449.db2.gz SGZNISVCAOMTEY-NSHDSACASA-N -2 3 388.373 0.013 20 0 GCADHL O=C([O-])c1cc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1F ZINC000739419124 600308889 /nfs/dbraw/zinc/30/88/89/600308889.db2.gz ANXQIMCPLCGGAJ-UHFFFAOYSA-N -2 3 389.339 0.714 20 0 GCADHL O=C([O-])/C=C1/SCC(=O)N1CCCOC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739625500 600367922 /nfs/dbraw/zinc/36/79/22/600367922.db2.gz PYILUGIPFKSABY-NTUHNPAUSA-N -2 3 390.373 0.619 20 0 GCADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1=O ZINC000737514364 600452821 /nfs/dbraw/zinc/45/28/21/600452821.db2.gz IJAMKLAAMQVITI-VIFPVBQESA-N -2 3 395.206 0.795 20 0 GCADHL COc1ccc(CC(=O)[N-]OCC(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000737985052 600499298 /nfs/dbraw/zinc/49/92/98/600499298.db2.gz RLBNQTHWJGWTNK-UHFFFAOYSA-N -2 3 380.397 0.617 20 0 GCADHL CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1 ZINC000736483689 600535266 /nfs/dbraw/zinc/53/52/66/600535266.db2.gz LVIYQSTUFFDWAR-UHFFFAOYSA-N -2 3 385.377 0.510 20 0 GCADHL CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc21 ZINC000823981741 607461441 /nfs/dbraw/zinc/46/14/41/607461441.db2.gz QGOLYTNJVRNALP-UHFFFAOYSA-N -2 3 388.413 0.690 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccc(OC)cc1 ZINC000831077735 600780256 /nfs/dbraw/zinc/78/02/56/600780256.db2.gz AFEALMKWKUTOEX-CQSZACIVSA-N -2 3 382.394 0.925 20 0 GCADHL COC(=O)c1sc2[n-]c(CN3CC[C@H](CCO)C3)nc(=O)c2c1CC(=O)[O-] ZINC000737724020 600969858 /nfs/dbraw/zinc/96/98/58/600969858.db2.gz RNKKMLIZBCTXFU-SECBINFHSA-N -2 3 395.437 0.603 20 0 GCADHL O=C([O-])C1CCN(C(=O)CN2CCN(C(=O)c3ccccc3[O-])CC2)CC1 ZINC000833190159 601009305 /nfs/dbraw/zinc/00/93/05/601009305.db2.gz ONXQIZWNHGNKQC-UHFFFAOYSA-N -2 3 375.425 0.473 20 0 GCADHL O=C([O-])CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000833249891 601206141 /nfs/dbraw/zinc/20/61/41/601206141.db2.gz UJCPLVSCYIDGBG-UHFFFAOYSA-N -2 3 378.337 0.989 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000833028699 601215648 /nfs/dbraw/zinc/21/56/48/601215648.db2.gz NVWNBKVHBQQOSK-QMMMGPOBSA-N -2 3 388.423 0.973 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820833084 607496109 /nfs/dbraw/zinc/49/61/09/607496109.db2.gz SHODQUDDGHOQAW-CYBMUJFWSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820833084 607496110 /nfs/dbraw/zinc/49/61/10/607496110.db2.gz SHODQUDDGHOQAW-CYBMUJFWSA-N -2 3 392.441 0.071 20 0 GCADHL CC(C)S(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](C)C1 ZINC000828472918 601265707 /nfs/dbraw/zinc/26/57/07/601265707.db2.gz SZPDHFHIVROMLD-MNOVXSKESA-N -2 3 394.471 0.705 20 0 GCADHL CC(C)S(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000828472923 601265847 /nfs/dbraw/zinc/26/58/47/601265847.db2.gz SZPDHFHIVROMLD-WDEREUQCSA-N -2 3 394.471 0.705 20 0 GCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000831591803 601267144 /nfs/dbraw/zinc/26/71/44/601267144.db2.gz ZEEFZMGLZKJOQS-ZDUSSCGKSA-N -2 3 381.428 0.701 20 0 GCADHL CC[C@H](C)[C@@H](NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000828727480 601357784 /nfs/dbraw/zinc/35/77/84/601357784.db2.gz CVKOEVAWEOVNBC-ISVAXAHUSA-N -2 3 390.414 0.268 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)o1 ZINC000831034181 601358118 /nfs/dbraw/zinc/35/81/18/601358118.db2.gz MJQGKIIOPNIJNW-LLVKDONJSA-N -2 3 390.414 0.268 20 0 GCADHL COC(=O)c1sc2[n-]c(CN3CCO[C@H](CC(=O)[O-])C3)nc(=O)c2c1C ZINC000831479519 601572217 /nfs/dbraw/zinc/57/22/17/601572217.db2.gz OZCHKQPLMHCOHB-SECBINFHSA-N -2 3 381.410 0.755 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2noc(CCC(=O)[O-])n2)ccc1F ZINC000831033802 601682513 /nfs/dbraw/zinc/68/25/13/601682513.db2.gz FMSCHMCAOZEGHZ-UHFFFAOYSA-N -2 3 387.345 0.491 20 0 GCADHL O=C([O-])[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000486041230 601720921 /nfs/dbraw/zinc/72/09/21/601720921.db2.gz QLBBLERTTHBDLW-CQSZACIVSA-N -2 3 397.384 0.880 20 0 GCADHL COc1cc(OC)cc(N2CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C2=O)c1 ZINC000832088655 601798887 /nfs/dbraw/zinc/79/88/87/601798887.db2.gz QLYOLSOVBGEZDX-QMTHXVAHSA-N -2 3 386.426 0.449 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1-c1nnn[n-]1 ZINC000826303907 607532579 /nfs/dbraw/zinc/53/25/79/607532579.db2.gz LURIGAZYWRZYCY-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826303907 607532581 /nfs/dbraw/zinc/53/25/81/607532581.db2.gz LURIGAZYWRZYCY-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCN2CCOCC2)c(Br)o1 ZINC000315043949 602111377 /nfs/dbraw/zinc/11/13/77/602111377.db2.gz OJIRPTQQPRMZCY-UHFFFAOYSA-N -2 3 397.247 0.741 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCCNC2=O)c(Br)o1 ZINC000055313739 602143815 /nfs/dbraw/zinc/14/38/15/602143815.db2.gz WEHIFWGUIHTEPC-ZCFIWIBFSA-N -2 3 381.204 0.687 20 0 GCADHL C[C@@H](CC(=O)N1CCO[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769522023 602144322 /nfs/dbraw/zinc/14/43/22/602144322.db2.gz KNUCTCKDMFOSMN-UWVGGRQHSA-N -2 3 391.833 0.104 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1nncn1C ZINC000055313763 602145336 /nfs/dbraw/zinc/14/53/36/602145336.db2.gz KRTCXVGXOZMTGT-RXMQYKEDSA-N -2 3 379.192 0.908 20 0 GCADHL CS(=O)(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329676 602146666 /nfs/dbraw/zinc/14/66/66/602146666.db2.gz RSXFWXLWIRSMQO-UHFFFAOYSA-N -2 3 390.233 0.453 20 0 GCADHL C[C@@H](CC(=O)N[C@@]1(C(=O)[O-])CCOC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827227360 602195663 /nfs/dbraw/zinc/19/56/63/602195663.db2.gz WYCKUSNOFUDFNT-XPTSAGLGSA-N -2 3 391.833 0.152 20 0 GCADHL COC[C@](C)(NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000831602846 602196213 /nfs/dbraw/zinc/19/62/13/602196213.db2.gz RIMFVUHMNVIJJX-XPTSAGLGSA-N -2 3 393.849 0.398 20 0 GCADHL COc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1-c1nnn[n-]1 ZINC000826201334 607628395 /nfs/dbraw/zinc/62/83/95/607628395.db2.gz LKWCYRPUOPRSAO-UHFFFAOYSA-N -2 3 394.351 0.555 20 0 GCADHL COc1ccc(CNC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)cc1-c1nn[n-]n1 ZINC000826201334 607628396 /nfs/dbraw/zinc/62/83/96/607628396.db2.gz LKWCYRPUOPRSAO-UHFFFAOYSA-N -2 3 394.351 0.555 20 0 GCADHL CSC[C@@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826228399 607642550 /nfs/dbraw/zinc/64/25/50/607642550.db2.gz NMHUJDNWVAZBSG-MRVPVSSYSA-N -2 3 379.414 0.537 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000826251363 607669199 /nfs/dbraw/zinc/66/91/99/607669199.db2.gz NCKNQRKNFGVWBV-UHFFFAOYSA-N -2 3 380.415 0.650 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1nnc([N-]S(C)(=O)=O)s1 ZINC000826251363 607669200 /nfs/dbraw/zinc/66/92/00/607669200.db2.gz NCKNQRKNFGVWBV-UHFFFAOYSA-N -2 3 380.415 0.650 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1-c1nnn[n-]1 ZINC000825553049 607682418 /nfs/dbraw/zinc/68/24/18/607682418.db2.gz JRTWCVYFMPUTJA-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccn(C)n2)cc1-c1nn[n-]n1 ZINC000825553049 607682420 /nfs/dbraw/zinc/68/24/20/607682420.db2.gz JRTWCVYFMPUTJA-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CN(C(=O)[O-])C2)cc1 ZINC000826848175 604413990 /nfs/dbraw/zinc/41/39/90/604413990.db2.gz UCWJNQKEGBMUME-UHFFFAOYSA-N -2 3 391.471 0.869 20 0 GCADHL CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230387170 604807420 /nfs/dbraw/zinc/80/74/20/604807420.db2.gz NPJFEQRPJASXOB-UHFFFAOYSA-N -2 3 383.220 0.791 20 0 GCADHL O=C([O-])N1CC(NC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000833109907 604948856 /nfs/dbraw/zinc/94/88/56/604948856.db2.gz CMZPVUMLDPKCIA-UHFFFAOYSA-N -2 3 398.260 0.267 20 0 GCADHL O=C([O-])N1CC(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000740405162 604951233 /nfs/dbraw/zinc/95/12/33/604951233.db2.gz WNGKPFFNVCMRTQ-UHFFFAOYSA-N -2 3 375.353 0.498 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(Br)o1 ZINC000162576000 605031542 /nfs/dbraw/zinc/03/15/42/605031542.db2.gz NSARVQLKWRCKLO-UHFFFAOYSA-N -2 3 384.204 0.560 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])o1 ZINC000833431460 605074878 /nfs/dbraw/zinc/07/48/78/605074878.db2.gz ZVKWRPMBVFHQIA-JTQLQIEISA-N -2 3 384.414 0.505 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])o1 ZINC000833431460 605074885 /nfs/dbraw/zinc/07/48/85/605074885.db2.gz ZVKWRPMBVFHQIA-JTQLQIEISA-N -2 3 384.414 0.505 20 0 GCADHL CC(C)(CC(=O)[O-])CC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000833454628 605223735 /nfs/dbraw/zinc/22/37/35/605223735.db2.gz KZBPGHITWVZJAH-UHFFFAOYSA-N -2 3 376.369 0.987 20 0 GCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)[O-])cc2)c1 ZINC000833733945 605240575 /nfs/dbraw/zinc/24/05/75/605240575.db2.gz WHCMBFYMQCIVHG-UHFFFAOYSA-N -3 3 394.405 0.945 20 0 GCADHL Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC000833761163 605269474 /nfs/dbraw/zinc/26/94/74/605269474.db2.gz YUGJUIIZZYPRHX-SECBINFHSA-N -2 3 399.454 0.044 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)NCC2CC2)c(Br)o1 ZINC000393141525 605301013 /nfs/dbraw/zinc/30/10/13/605301013.db2.gz DAWJLXNCANEQLG-UHFFFAOYSA-N -2 3 381.204 0.545 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819789456 606133383 /nfs/dbraw/zinc/13/33/83/606133383.db2.gz OYBCTWZVNASMRQ-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819789456 606133385 /nfs/dbraw/zinc/13/33/85/606133385.db2.gz OYBCTWZVNASMRQ-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000820187913 606134106 /nfs/dbraw/zinc/13/41/06/606134106.db2.gz YQXZFWJINSCQRT-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000820187913 606134109 /nfs/dbraw/zinc/13/41/09/606134109.db2.gz YQXZFWJINSCQRT-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000819866137 606176663 /nfs/dbraw/zinc/17/66/63/606176663.db2.gz JQTWNALJEUNVEK-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000819866137 606176665 /nfs/dbraw/zinc/17/66/65/606176665.db2.gz JQTWNALJEUNVEK-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821656184 606205577 /nfs/dbraw/zinc/20/55/77/606205577.db2.gz ZISCKIMUCUNDNH-RYUDHWBXSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821656184 606205578 /nfs/dbraw/zinc/20/55/78/606205578.db2.gz ZISCKIMUCUNDNH-RYUDHWBXSA-N -2 3 393.425 0.651 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cc1C(N)=O ZINC000822266980 606467751 /nfs/dbraw/zinc/46/77/51/606467751.db2.gz LNCROEXARMGJCO-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1C(N)=O ZINC000822266980 606467753 /nfs/dbraw/zinc/46/77/53/606467753.db2.gz LNCROEXARMGJCO-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1C ZINC000821337428 606591124 /nfs/dbraw/zinc/59/11/24/606591124.db2.gz GSNUBDSPSKSIDC-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821674285 606654246 /nfs/dbraw/zinc/65/42/46/606654246.db2.gz ZYPMQTSMNIVOIZ-LURJTMIESA-N -2 3 390.219 0.469 20 0 GCADHL CO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821674285 606654247 /nfs/dbraw/zinc/65/42/47/606654247.db2.gz ZYPMQTSMNIVOIZ-LURJTMIESA-N -2 3 390.219 0.469 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c[nH]1 ZINC000821667907 606707241 /nfs/dbraw/zinc/70/72/41/606707241.db2.gz GGOAFGOEKJGNKM-UHFFFAOYSA-N -2 3 394.417 0.734 20 0 GCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821669244 606709184 /nfs/dbraw/zinc/70/91/84/606709184.db2.gz BRAMVHXCAZHLHE-UHFFFAOYSA-N -2 3 397.804 0.841 20 0 GCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821669599 606709234 /nfs/dbraw/zinc/70/92/34/606709234.db2.gz UCLJXFVGFYCYPX-UHFFFAOYSA-N -2 3 393.385 0.196 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1NC(C)=O ZINC000821846562 606710837 /nfs/dbraw/zinc/71/08/37/606710837.db2.gz UJNRKLJJVIAGAP-UHFFFAOYSA-N -2 3 392.401 0.368 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000822622447 606711078 /nfs/dbraw/zinc/71/10/78/606711078.db2.gz DJROMXXNENAEEB-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL O=S(=O)([N-]c1cc(C2CCOCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583724 606780089 /nfs/dbraw/zinc/78/00/89/606780089.db2.gz ZHHNYKUOVIKSFJ-UHFFFAOYSA-N -2 3 376.402 0.680 20 0 GCADHL O=S(=O)([N-]c1cc(C2CCOCC2)[nH]n1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823583724 606780090 /nfs/dbraw/zinc/78/00/90/606780090.db2.gz ZHHNYKUOVIKSFJ-UHFFFAOYSA-N -2 3 376.402 0.680 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000821644889 606848511 /nfs/dbraw/zinc/84/85/11/606848511.db2.gz LUNWHGACLJSHDJ-CYBMUJFWSA-N -2 3 392.372 0.593 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000821644889 606848512 /nfs/dbraw/zinc/84/85/12/606848512.db2.gz LUNWHGACLJSHDJ-CYBMUJFWSA-N -2 3 392.372 0.593 20 0 GCADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822159764 606866237 /nfs/dbraw/zinc/86/62/37/606866237.db2.gz CTNHFLIERFHQOP-UHFFFAOYSA-N -2 3 382.352 0.953 20 0 GCADHL CCOC(=O)CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821325576 606884998 /nfs/dbraw/zinc/88/49/98/606884998.db2.gz GREABBYEMNOPGL-UHFFFAOYSA-N -2 3 375.357 0.767 20 0 GCADHL C[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820262815 606885860 /nfs/dbraw/zinc/88/58/60/606885860.db2.gz ZPPAPNBEOAHHDX-SECBINFHSA-N -2 3 388.400 0.144 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Nc1cccnc1 ZINC000823009481 606888847 /nfs/dbraw/zinc/88/88/47/606888847.db2.gz KEHANRWSCQKJMD-UHFFFAOYSA-N -2 3 395.351 0.457 20 0 GCADHL NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822858467 606894110 /nfs/dbraw/zinc/89/41/10/606894110.db2.gz AXNXGCLYPGJJRB-GZMMTYOYSA-N -2 3 386.384 0.467 20 0 GCADHL O=C([O-])CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000823387812 606975591 /nfs/dbraw/zinc/97/55/91/606975591.db2.gz YVSUPCRMRQIXNA-QMMMGPOBSA-N -3 3 389.777 0.116 20 0 GCADHL O=C([O-])CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000823387812 606975592 /nfs/dbraw/zinc/97/55/92/606975592.db2.gz YVSUPCRMRQIXNA-QMMMGPOBSA-N -3 3 389.777 0.116 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)N1CCCC1 ZINC000820001238 607080410 /nfs/dbraw/zinc/08/04/10/607080410.db2.gz GIRWPYWVBHIYRC-UHFFFAOYSA-N -2 3 380.430 0.481 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000820001562 607089085 /nfs/dbraw/zinc/08/90/85/607089085.db2.gz SFQVJFJYBQCGQR-LBPRGKRZSA-N -2 3 381.414 0.259 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC000821689217 607102945 /nfs/dbraw/zinc/10/29/45/607102945.db2.gz QDSFXUUIGPXJOY-UHFFFAOYSA-N -2 3 394.457 0.839 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC000821689217 607102947 /nfs/dbraw/zinc/10/29/47/607102947.db2.gz QDSFXUUIGPXJOY-UHFFFAOYSA-N -2 3 394.457 0.839 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000821700609 607107129 /nfs/dbraw/zinc/10/71/29/607107129.db2.gz SXRYXRLYPZCYSW-NSHDSACASA-N -2 3 393.425 0.673 20 0 GCADHL O=C([O-])CCN(C(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000823387652 607107614 /nfs/dbraw/zinc/10/76/14/607107614.db2.gz SLJXYKYKQHSJNR-UHFFFAOYSA-N -2 3 375.385 0.728 20 0 GCADHL Cc1nc(SCC(=O)N2CCO[C@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822453578 607111050 /nfs/dbraw/zinc/11/10/50/607111050.db2.gz LXLLZIVJWBHQQC-NSHDSACASA-N -2 3 392.441 0.591 20 0 GCADHL Cc1nc(SCC(=O)N2CCO[C@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822453578 607111051 /nfs/dbraw/zinc/11/10/51/607111051.db2.gz LXLLZIVJWBHQQC-NSHDSACASA-N -2 3 392.441 0.591 20 0 GCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)NCc1ccc([O-])c(Br)c1 ZINC000823131992 607235312 /nfs/dbraw/zinc/23/53/12/607235312.db2.gz UQGSDFVJXYFUMH-UHFFFAOYSA-N -2 3 379.178 0.243 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450696 607776968 /nfs/dbraw/zinc/77/69/68/607776968.db2.gz ZAOKLTMIEMKEDM-UHFFFAOYSA-N -2 3 390.381 0.475 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450696 607776969 /nfs/dbraw/zinc/77/69/69/607776969.db2.gz ZAOKLTMIEMKEDM-UHFFFAOYSA-N -2 3 390.381 0.475 20 0 GCADHL O=C([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450335 607777636 /nfs/dbraw/zinc/77/76/36/607777636.db2.gz HEZHMYAVTSOIQN-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL O=C([N-]S(=O)(=O)c1cncc(Br)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450335 607777637 /nfs/dbraw/zinc/77/76/37/607777637.db2.gz HEZHMYAVTSOIQN-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C)c1C ZINC000826211705 607778609 /nfs/dbraw/zinc/77/86/09/607778609.db2.gz QOHKLQLIKOJJAK-UHFFFAOYSA-N -2 3 376.398 0.939 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C)c1C ZINC000826211705 607778610 /nfs/dbraw/zinc/77/86/10/607778610.db2.gz QOHKLQLIKOJJAK-UHFFFAOYSA-N -2 3 376.398 0.939 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450415 607779263 /nfs/dbraw/zinc/77/92/63/607779263.db2.gz LEYAKPRHBYLSKM-UHFFFAOYSA-N -2 3 398.408 0.558 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450415 607779264 /nfs/dbraw/zinc/77/92/64/607779264.db2.gz LEYAKPRHBYLSKM-UHFFFAOYSA-N -2 3 398.408 0.558 20 0 GCADHL Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000826268051 607809691 /nfs/dbraw/zinc/80/96/91/607809691.db2.gz IABHGUZVMDQLCY-UHFFFAOYSA-N -3 3 381.349 0.547 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825759880 607837475 /nfs/dbraw/zinc/83/74/75/607837475.db2.gz ONDDVHOFVDTCAP-UHFFFAOYSA-N -2 3 378.418 0.172 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825759880 607837476 /nfs/dbraw/zinc/83/74/76/607837476.db2.gz ONDDVHOFVDTCAP-UHFFFAOYSA-N -2 3 378.418 0.172 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)F ZINC000826279355 607860739 /nfs/dbraw/zinc/86/07/39/607860739.db2.gz NZRSEJPZPVTCMX-UHFFFAOYSA-N -2 3 397.367 0.965 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cn(C)nc1C(F)F ZINC000826279355 607860740 /nfs/dbraw/zinc/86/07/40/607860740.db2.gz NZRSEJPZPVTCMX-UHFFFAOYSA-N -2 3 397.367 0.965 20 0 GCADHL O=S(=O)([N-]C[C@H](CO)Cc1ccco1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489476 607906408 /nfs/dbraw/zinc/90/64/08/607906408.db2.gz QNRYOEWSADOCQT-SECBINFHSA-N -2 3 399.379 0.867 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(-n2ccnn2)c1 ZINC000826450497 607922097 /nfs/dbraw/zinc/92/20/97/607922097.db2.gz OWADHTDGGLZNMY-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2ccnn2)c1 ZINC000826450497 607922098 /nfs/dbraw/zinc/92/20/98/607922098.db2.gz OWADHTDGGLZNMY-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1S(C)(=O)=O ZINC000826291650 607982821 /nfs/dbraw/zinc/98/28/21/607982821.db2.gz PCAABYNQPFUXCB-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1S(C)(=O)=O ZINC000826291650 607982822 /nfs/dbraw/zinc/98/28/22/607982822.db2.gz PCAABYNQPFUXCB-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824052753 608010993 /nfs/dbraw/zinc/01/09/93/608010993.db2.gz RAZZZPFJPQUFMS-ZCFIWIBFSA-N -2 3 379.320 0.979 20 0 GCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826461026 608011482 /nfs/dbraw/zinc/01/14/82/608011482.db2.gz CGIDQUZVPQCUCK-SSDOTTSWSA-N -2 3 391.331 0.981 20 0 GCADHL COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826104225 608057238 /nfs/dbraw/zinc/05/72/38/608057238.db2.gz SDBZSFWENQJITB-QMMMGPOBSA-N -2 3 397.310 0.620 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824744798 608076125 /nfs/dbraw/zinc/07/61/25/608076125.db2.gz GHHKFUBJGINDOQ-GHMZBOCLSA-N -2 3 381.414 0.117 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824744798 608076126 /nfs/dbraw/zinc/07/61/26/608076126.db2.gz GHHKFUBJGINDOQ-GHMZBOCLSA-N -2 3 381.414 0.117 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C(N)=O ZINC000826362028 608107980 /nfs/dbraw/zinc/10/79/80/608107980.db2.gz AHNZJEFKDIZFCR-UHFFFAOYSA-N -2 3 381.805 0.758 20 0 GCADHL CNC(=O)[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826060747 608240105 /nfs/dbraw/zinc/24/01/05/608240105.db2.gz SCWXIOCEXTZRIW-LDYMZIIASA-N -2 3 386.384 0.338 20 0 GCADHL O=C(CN1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)[N-]OCc1ccccc1 ZINC000826410901 608259490 /nfs/dbraw/zinc/25/94/90/608259490.db2.gz BZPDPKNPZARPAW-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL O=C(CN1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)[N-]OCc1ccccc1 ZINC000826410901 608259495 /nfs/dbraw/zinc/25/94/95/608259495.db2.gz BZPDPKNPZARPAW-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000826169951 608262391 /nfs/dbraw/zinc/26/23/91/608262391.db2.gz KKVRBULXPOOKLJ-UHFFFAOYSA-N -2 3 386.393 0.725 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000826169951 608262393 /nfs/dbraw/zinc/26/23/93/608262393.db2.gz KKVRBULXPOOKLJ-UHFFFAOYSA-N -2 3 386.393 0.725 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826411554 608274608 /nfs/dbraw/zinc/27/46/08/608274608.db2.gz DBZDWZPRFBXRTR-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826411554 608274610 /nfs/dbraw/zinc/27/46/10/608274610.db2.gz DBZDWZPRFBXRTR-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nn1 ZINC000825357022 608317332 /nfs/dbraw/zinc/31/73/32/608317332.db2.gz VHMMNGGIHLIOMC-UHFFFAOYSA-N -2 3 396.820 0.640 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nn1 ZINC000825357022 608317334 /nfs/dbraw/zinc/31/73/34/608317334.db2.gz VHMMNGGIHLIOMC-UHFFFAOYSA-N -2 3 396.820 0.640 20 0 GCADHL COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826104233 608342673 /nfs/dbraw/zinc/34/26/73/608342673.db2.gz SEQAFSJDQVTEIY-SNVBAGLBSA-N -2 3 393.347 0.622 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cn1C ZINC000486770089 608390925 /nfs/dbraw/zinc/39/09/25/608390925.db2.gz IBMJEHSQSANDHS-UHFFFAOYSA-N -2 3 375.414 0.708 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000825494321 608473325 /nfs/dbraw/zinc/47/33/25/608473325.db2.gz WAKLVQJMECDEQG-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000825494321 608473327 /nfs/dbraw/zinc/47/33/27/608473327.db2.gz WAKLVQJMECDEQG-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826221377 608871853 /nfs/dbraw/zinc/87/18/53/608871853.db2.gz BSUMYRXDMQZELT-UHFFFAOYSA-N -2 3 390.307 0.813 20 0 GCADHL COc1n[nH]c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826221377 608871857 /nfs/dbraw/zinc/87/18/57/608871857.db2.gz BSUMYRXDMQZELT-UHFFFAOYSA-N -2 3 390.307 0.813 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000826163254 609148197 /nfs/dbraw/zinc/14/81/97/609148197.db2.gz MEXJESWRFLGWQL-UHFFFAOYSA-N -2 3 391.413 0.067 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826163254 609148198 /nfs/dbraw/zinc/14/81/98/609148198.db2.gz MEXJESWRFLGWQL-UHFFFAOYSA-N -2 3 391.413 0.067 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824738135 609161029 /nfs/dbraw/zinc/16/10/29/609161029.db2.gz MGRNFLYDKNEIPG-GWCFXTLKSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824744312 609161163 /nfs/dbraw/zinc/16/11/63/609161163.db2.gz ADAXPCFYTBMHQJ-MNOVXSKESA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824744312 609161164 /nfs/dbraw/zinc/16/11/64/609161164.db2.gz ADAXPCFYTBMHQJ-MNOVXSKESA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824744314 609161210 /nfs/dbraw/zinc/16/12/10/609161210.db2.gz ADAXPCFYTBMHQJ-WDEREUQCSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824744314 609161212 /nfs/dbraw/zinc/16/12/12/609161212.db2.gz ADAXPCFYTBMHQJ-WDEREUQCSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824270800 609255660 /nfs/dbraw/zinc/25/56/60/609255660.db2.gz HDUACCKONORVDB-CQSZACIVSA-N -2 3 378.458 0.938 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825604772 609256068 /nfs/dbraw/zinc/25/60/68/609256068.db2.gz KPYAISFNWYACNF-CQSZACIVSA-N -2 3 394.457 0.318 20 0 GCADHL O=C([N-]S(=O)(=O)CC1CC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450149 609256546 /nfs/dbraw/zinc/25/65/46/609256546.db2.gz YVFAHBISFKVGHO-AWEZNQCLSA-N -2 3 376.442 0.692 20 0 GCADHL O=C([N-]S(=O)(=O)CC1CC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450150 609256581 /nfs/dbraw/zinc/25/65/81/609256581.db2.gz YVFAHBISFKVGHO-CQSZACIVSA-N -2 3 376.442 0.692 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCCC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449854 609256863 /nfs/dbraw/zinc/25/68/63/609256863.db2.gz MGQDPGCCOMJQKL-CQSZACIVSA-N -2 3 391.457 0.292 20 0 GCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449849 609257885 /nfs/dbraw/zinc/25/78/85/609257885.db2.gz MGACYFXWIQSAEP-KBPBESRZSA-N -2 3 392.441 0.070 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826068679 609258602 /nfs/dbraw/zinc/25/86/02/609258602.db2.gz WEZOWUXGGVROTK-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826068679 609258605 /nfs/dbraw/zinc/25/86/05/609258605.db2.gz WEZOWUXGGVROTK-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826067849 609258986 /nfs/dbraw/zinc/25/89/86/609258986.db2.gz MDGNCDZEWPAOEB-UHFFFAOYSA-N -2 3 392.422 0.407 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826067849 609258987 /nfs/dbraw/zinc/25/89/87/609258987.db2.gz MDGNCDZEWPAOEB-UHFFFAOYSA-N -2 3 392.422 0.407 20 0 GCADHL Cn1cnc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826364613 609274317 /nfs/dbraw/zinc/27/43/17/609274317.db2.gz CNWLRGUJCAYQDK-UHFFFAOYSA-N -2 3 389.376 0.726 20 0 GCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(OCC(F)(F)F)nc1 ZINC000826492372 609338895 /nfs/dbraw/zinc/33/88/95/609338895.db2.gz HONBHOIMJBBLJY-UHFFFAOYSA-N -2 3 390.307 0.727 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cn1 ZINC000825642765 609405363 /nfs/dbraw/zinc/40/53/63/609405363.db2.gz BAYXTZUSNIGAPE-UHFFFAOYSA-N -2 3 377.386 0.118 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cn1 ZINC000825642765 609405366 /nfs/dbraw/zinc/40/53/66/609405366.db2.gz BAYXTZUSNIGAPE-UHFFFAOYSA-N -2 3 377.386 0.118 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OCCOC)cn1 ZINC000825805033 609468624 /nfs/dbraw/zinc/46/86/24/609468624.db2.gz OYEXAUAYGOWJBO-UHFFFAOYSA-N -2 3 393.429 0.909 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]nc1C ZINC000826162847 609469214 /nfs/dbraw/zinc/46/92/14/609469214.db2.gz USPFZAUOBQSNJI-UHFFFAOYSA-N -2 3 379.402 0.724 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826162490 609469622 /nfs/dbraw/zinc/46/96/22/609469622.db2.gz DQXXFCRHEQUORB-LBPRGKRZSA-N -2 3 383.430 0.813 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826391709 609528908 /nfs/dbraw/zinc/52/89/08/609528908.db2.gz YIRBWFLWNKCKGT-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391709 609528910 /nfs/dbraw/zinc/52/89/10/609528910.db2.gz YIRBWFLWNKCKGT-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL C[C@@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000760131512 640564541 /nfs/dbraw/zinc/56/45/41/640564541.db2.gz DQVXQYIAVRWYIW-SECBINFHSA-N -2 3 394.446 0.817 20 0 GCADHL CO[C@@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(C)C ZINC000770903522 640817230 /nfs/dbraw/zinc/81/72/30/640817230.db2.gz XUOMZXMYKMPVHV-GFCCVEGCSA-N -2 3 382.435 0.673 20 0 GCADHL Cn1cccc1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772759869 640849209 /nfs/dbraw/zinc/84/92/09/640849209.db2.gz QVNKONRHYIAYHI-UHFFFAOYSA-N -2 3 375.403 0.654 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-] ZINC000776458765 641096733 /nfs/dbraw/zinc/09/67/33/641096733.db2.gz ONYVUVVBIUULEJ-QMMMGPOBSA-N -2 3 386.195 0.711 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1F ZINC000776503682 641098629 /nfs/dbraw/zinc/09/86/29/641098629.db2.gz QOXCBGBWFDNNBP-MADCSZMMSA-N -2 3 379.337 0.519 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)c(C(=O)OC)s1 ZINC000776573438 641103057 /nfs/dbraw/zinc/10/30/57/641103057.db2.gz BVXNOUXTZOYVMW-MRVPVSSYSA-N -2 3 391.423 0.853 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000776583921 641104445 /nfs/dbraw/zinc/10/44/45/641104445.db2.gz HKTKPZKINIIUNZ-CYBMUJFWSA-N -3 3 394.789 0.366 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776596265 641105816 /nfs/dbraw/zinc/10/58/16/641105816.db2.gz JARHGIHJSKDVBR-VXGBXAGGSA-N -2 3 386.407 0.395 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000776623983 641107602 /nfs/dbraw/zinc/10/76/02/641107602.db2.gz BELHBWACOYGGHE-RXMQYKEDSA-N -2 3 377.849 0.183 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1F ZINC000776635349 641108916 /nfs/dbraw/zinc/10/89/16/641108916.db2.gz RFYGYAYDONACIU-ZCFIWIBFSA-N -3 3 381.309 0.205 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCCO2)cc1F ZINC000784895675 641297332 /nfs/dbraw/zinc/29/73/32/641297332.db2.gz GUMAQOPGQZTUER-SNVBAGLBSA-N -2 3 394.446 0.961 20 0 GCADHL CO[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898433 641298018 /nfs/dbraw/zinc/29/80/18/641298018.db2.gz XMKRMCYDKGNASA-SECBINFHSA-N -2 3 382.435 0.817 20 0 GCADHL Cn1nncc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000788206571 641362778 /nfs/dbraw/zinc/36/27/78/641362778.db2.gz XDPIHFWAKRGCAG-UHFFFAOYSA-N -2 3 399.376 0.457 20 0 GCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(-n2cnnn2)c1 ZINC000823589048 642028646 /nfs/dbraw/zinc/02/86/46/642028646.db2.gz JUQVPRIKFPYMOB-UHFFFAOYSA-N -2 3 376.387 0.100 20 0 GCADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000826362739 642057718 /nfs/dbraw/zinc/05/77/18/642057718.db2.gz HCQBJVULMZDCAE-UHFFFAOYSA-N -2 3 381.805 0.301 20 0 GCADHL Cn1ccc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000826362739 642057724 /nfs/dbraw/zinc/05/77/24/642057724.db2.gz HCQBJVULMZDCAE-UHFFFAOYSA-N -2 3 381.805 0.301 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(Br)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450552 642058386 /nfs/dbraw/zinc/05/83/86/642058386.db2.gz QYEXNPHCZGKAJP-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(Br)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450552 642058390 /nfs/dbraw/zinc/05/83/90/642058390.db2.gz QYEXNPHCZGKAJP-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL O=C([N-]CCOCCOC(=O)c1cc(-c2nnn[n-]2)cs1)C(F)(F)F ZINC000826463504 642058461 /nfs/dbraw/zinc/05/84/61/642058461.db2.gz IRVQNDHSEORXKF-UHFFFAOYSA-N -2 3 379.320 0.780 20 0 GCADHL O=C([N-]CCOCCOC(=O)c1cc(-c2nn[n-]n2)cs1)C(F)(F)F ZINC000826463504 642058466 /nfs/dbraw/zinc/05/84/66/642058466.db2.gz IRVQNDHSEORXKF-UHFFFAOYSA-N -2 3 379.320 0.780 20 0 GCADHL C[C@@](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)(CC(=O)[O-])C(=O)[O-] ZINC000837287094 642268695 /nfs/dbraw/zinc/26/86/95/642268695.db2.gz AJEHHGQLFSXYRP-LBPRGKRZSA-N -3 3 377.762 0.720 20 0 GCADHL CC(F)(F)C[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1cccc(F)n1 ZINC000848967158 642610638 /nfs/dbraw/zinc/61/06/38/642610638.db2.gz RXZQMOAOBCKEEH-UHFFFAOYSA-N -2 3 375.394 0.927 20 0 GCADHL Cc1cc(C(=O)N(C)CCN2CCOC(C)(C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000279069948 1192453059 /nfs/dbraw/zinc/45/30/59/1192453059.db2.gz DZCXGHOHCVFEOY-UHFFFAOYSA-N -2 3 375.429 0.927 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c([N+](=O)[O-])c1 ZINC000028195637 1192890880 /nfs/dbraw/zinc/89/08/80/1192890880.db2.gz MJGTYGPJCQIUPC-UHFFFAOYSA-N -2 3 380.338 0.400 20 0 GCADHL O=C([O-])CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000274938140 1184435152 /nfs/dbraw/zinc/43/51/52/1184435152.db2.gz FRZYDFWQMSRJCI-SNVBAGLBSA-N -2 3 396.387 0.948 20 0 GCADHL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000579905070 1184685352 /nfs/dbraw/zinc/68/53/52/1184685352.db2.gz GBQABOIHRPXGBT-UHFFFAOYSA-N -2 3 388.365 0.500 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655601384 1184731327 /nfs/dbraw/zinc/73/13/27/1184731327.db2.gz KTJRCWNNPHWDHC-ZWNOBZJWSA-N -2 3 396.425 0.165 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)ccc1O ZINC000064940416 1185250522 /nfs/dbraw/zinc/25/05/22/1185250522.db2.gz PQJJVILPWJGHAC-UHFFFAOYSA-N -2 3 399.450 0.976 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H](O)C(F)(F)F ZINC001213349279 1185595760 /nfs/dbraw/zinc/59/57/60/1185595760.db2.gz WNIWITUBDRTANB-LHLIQPBNSA-N -2 3 394.368 0.787 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548205565 1185882364 /nfs/dbraw/zinc/88/23/64/1185882364.db2.gz DFEGJKYTRPBYCT-ZDUSSCGKSA-N -2 3 399.400 0.857 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(C)nn(C)c2C)oc1C ZINC000548210254 1185885300 /nfs/dbraw/zinc/88/53/00/1185885300.db2.gz HOHIKGUXALRUSZ-CYBMUJFWSA-N -2 3 385.398 0.829 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562145 1186150315 /nfs/dbraw/zinc/15/03/15/1186150315.db2.gz SLXYRMNUBWEFPE-ZDUSSCGKSA-N -3 3 382.394 0.893 20 0 GCADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)[O-] ZINC000548550128 1186312600 /nfs/dbraw/zinc/31/26/00/1186312600.db2.gz SYQGZXVXUJZLOV-CYBMUJFWSA-N -2 3 386.401 0.944 20 0 GCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)nn1 ZINC000548768568 1186670129 /nfs/dbraw/zinc/67/01/29/1186670129.db2.gz ZWAZOKOXUGNTEQ-UHFFFAOYSA-N -2 3 398.294 0.993 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000367406295 1187118634 /nfs/dbraw/zinc/11/86/34/1187118634.db2.gz WRSZHEJWAUHNSA-UHFFFAOYSA-N -2 3 382.398 0.922 20 0 GCADHL CO[C@@H]1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[C@@H](C(=O)[O-])C1 ZINC000659220402 1187915106 /nfs/dbraw/zinc/91/51/06/1187915106.db2.gz NFXFKAVLSVNBEP-MVWJERBFSA-N -2 3 389.430 0.049 20 0 GCADHL O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000363882633 1189547777 /nfs/dbraw/zinc/54/77/77/1189547777.db2.gz BCCZRDBCIQGIMI-GFCCVEGCSA-N -2 3 375.776 0.958 20 0 GCADHL O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000363882633 1189547782 /nfs/dbraw/zinc/54/77/82/1189547782.db2.gz BCCZRDBCIQGIMI-GFCCVEGCSA-N -2 3 375.776 0.958 20 0 GCADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000047436985 1189890995 /nfs/dbraw/zinc/89/09/95/1189890995.db2.gz CTRIMBKFRAEESU-UHFFFAOYSA-N -2 3 395.319 0.690 20 0 GCADHL O=C(c1ccc([O-])cc1)N1CCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000436764128 1195032570 /nfs/dbraw/zinc/03/25/70/1195032570.db2.gz PCYJYXDEZQUTPW-UHFFFAOYSA-N -2 3 395.375 0.740 20 0 GCADHL O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc(O)cc1[O-] ZINC000438625138 1195231001 /nfs/dbraw/zinc/23/10/01/1195231001.db2.gz FHIHEPRJXXVNRV-UHFFFAOYSA-N -2 3 397.375 0.689 20 0 GCADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c1 ZINC000507874235 1195868142 /nfs/dbraw/zinc/86/81/42/1195868142.db2.gz JTTWUOPHEVLTBA-UHFFFAOYSA-N -2 3 375.370 0.387 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000507908096 1195873641 /nfs/dbraw/zinc/87/36/41/1195873641.db2.gz YYFNYJOZYKFRSW-ONGXEEELSA-N -2 3 399.429 0.453 20 0 GCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)[n-]1 ZINC000840948551 1196490351 /nfs/dbraw/zinc/49/03/51/1196490351.db2.gz VJIZYSJPQSNCKZ-UHFFFAOYSA-N -2 3 386.361 0.555 20 0 GCADHL COc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc([N-]S(C)(=O)=O)c1OC ZINC000525723892 1196704370 /nfs/dbraw/zinc/70/43/70/1196704370.db2.gz VNOLQSJSHIALLL-NSHDSACASA-N -2 3 398.441 0.317 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488635 1196992139 /nfs/dbraw/zinc/99/21/39/1196992139.db2.gz WRLPJLHFEWBXAZ-CYBMUJFWSA-N -2 3 385.373 0.758 20 0 GCADHL COC[C@H](NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)[O-] ZINC000262795454 1197163746 /nfs/dbraw/zinc/16/37/46/1197163746.db2.gz AASJZZDWIUETGH-NSHDSACASA-N -2 3 389.430 0.098 20 0 GCADHL Cc1cc(C(=O)NC[C@H](C(C)C)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265758946 1199130344 /nfs/dbraw/zinc/13/03/44/1199130344.db2.gz BTQDCHGLZNOOLQ-CYBMUJFWSA-N -2 3 375.429 0.831 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000727184351 1201351251 /nfs/dbraw/zinc/35/12/51/1201351251.db2.gz HUGBJSNTRZGHGI-UHFFFAOYSA-N -2 3 399.406 0.367 20 0 GCADHL Cc1nc(-c2ccc(NC(=O)c3c([O-])n(C)c(=O)n(C)c3=O)cc2)cc(=O)[n-]1 ZINC000768127983 1202003041 /nfs/dbraw/zinc/00/30/41/1202003041.db2.gz ZFULCGBSALZZDF-UHFFFAOYSA-N -2 3 383.364 0.763 20 0 GCADHL COc1cc(F)c(S(=O)(=O)[N-]Nc2nc(=O)c3cnn(C)c3[n-]2)c(F)c1 ZINC000769831030 1202075037 /nfs/dbraw/zinc/07/50/37/1202075037.db2.gz BWTSFNLVQWLAOX-UHFFFAOYSA-N -2 3 386.340 0.661 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)ccc1F ZINC000789925213 1205451679 /nfs/dbraw/zinc/45/16/79/1205451679.db2.gz QYBNDGHRASKQTE-UHFFFAOYSA-N -2 3 392.372 0.667 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1 ZINC000809224255 1205619814 /nfs/dbraw/zinc/61/98/14/1205619814.db2.gz PKZXMVBUBUTMEC-LBPRGKRZSA-N -2 3 399.400 0.568 20 0 GCADHL O=C([O-])CN1CCCn2nc(C(=O)Nc3ccc4[nH][n-]c(=O)c4c3)cc2C1=O ZINC001178370635 1205785540 /nfs/dbraw/zinc/78/55/40/1205785540.db2.gz QONICTZCKPZERB-UHFFFAOYSA-N -2 3 384.352 0.648 20 0 GCADHL C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181418269 1205843073 /nfs/dbraw/zinc/84/30/73/1205843073.db2.gz QKWPURORTVXMMT-QWRGUYRKSA-N -2 3 395.393 0.478 20 0 GCADHL O=S(=O)([N-]c1cncc(N2CCOCC2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573664 1205924209 /nfs/dbraw/zinc/92/42/09/1205924209.db2.gz OTXQOAYFIQOCIA-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185628823 1205926094 /nfs/dbraw/zinc/92/60/94/1205926094.db2.gz WKCNQRVORSJBHY-AWEZNQCLSA-N -2 3 388.409 0.844 20 0 GCADHL O=P([O-])([O-])CCNS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186352626 1205938331 /nfs/dbraw/zinc/93/83/31/1205938331.db2.gz LDNUBFITMUKWQF-UHFFFAOYSA-N -2 3 379.556 0.954 20 0 GCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001186592751 1205943898 /nfs/dbraw/zinc/94/38/98/1205943898.db2.gz PJYZRIZMIPIZAX-UHFFFAOYSA-N -2 3 381.343 0.718 20 0 GCADHL CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001186808541 1205947975 /nfs/dbraw/zinc/94/79/75/1205947975.db2.gz VVENARKCZJAUOA-WBMJQRKESA-N -2 3 391.357 0.568 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1[O-] ZINC001188531780 1205986335 /nfs/dbraw/zinc/98/63/35/1205986335.db2.gz CSNRPCDMAWXSRF-UHFFFAOYSA-N -2 3 378.410 0.524 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2cccc(OC(F)(F)F)c2[O-])C(=O)N1S(=O)(=O)[O-] ZINC001189766621 1206015909 /nfs/dbraw/zinc/01/59/09/1206015909.db2.gz XWWJKJNEHDXIQG-XNCJUZBTSA-N -2 3 384.288 0.423 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)ccc1F ZINC000271900227 939116362 /nfs/dbraw/zinc/11/63/62/939116362.db2.gz YXSHQCDXSIIQDA-INIZCTEOSA-N -2 3 388.417 0.876 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)ccc1F ZINC000271900228 939116418 /nfs/dbraw/zinc/11/64/18/939116418.db2.gz YXSHQCDXSIIQDA-MRXNPFEDSA-N -2 3 388.417 0.876 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c(C)o1 ZINC000570757676 939385779 /nfs/dbraw/zinc/38/57/79/939385779.db2.gz VPUGZUUZQGZEDO-UHFFFAOYSA-N -2 3 378.406 0.848 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738140360 945249731 /nfs/dbraw/zinc/24/97/31/945249731.db2.gz SSZJIZGKZSCDQR-UHFFFAOYSA-N -2 3 398.404 0.271 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738140360 945249740 /nfs/dbraw/zinc/24/97/40/945249740.db2.gz SSZJIZGKZSCDQR-UHFFFAOYSA-N -2 3 398.404 0.271 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000736933008 944911553 /nfs/dbraw/zinc/91/15/53/944911553.db2.gz ZTHQPCZKGJFICC-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000736933008 944911559 /nfs/dbraw/zinc/91/15/59/944911559.db2.gz ZTHQPCZKGJFICC-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1C ZINC000820187821 945369738 /nfs/dbraw/zinc/36/97/38/945369738.db2.gz ULFHXJIWAUOXQC-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1C ZINC000820187821 945369747 /nfs/dbraw/zinc/36/97/47/945369747.db2.gz ULFHXJIWAUOXQC-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL O=C(NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269279 945616100 /nfs/dbraw/zinc/61/61/00/945616100.db2.gz UOCAQYXQPCLALB-LLVKDONJSA-N -2 3 386.420 0.193 20 0 GCADHL O=C(NC[C@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269279 945616103 /nfs/dbraw/zinc/61/61/03/945616103.db2.gz UOCAQYXQPCLALB-LLVKDONJSA-N -2 3 386.420 0.193 20 0 GCADHL O=C(c1c([O-])cccc1Cl)N1CC(n2cc(-c3nn[n-]n3)c(=O)[nH]c2=O)C1 ZINC001571295015 946149457 /nfs/dbraw/zinc/14/94/57/946149457.db2.gz NPEGOQXRMMITSA-UHFFFAOYSA-N -2 3 389.759 0.185 20 0 GCADHL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001571307294 946422408 /nfs/dbraw/zinc/42/24/08/946422408.db2.gz CODZIHGXGWLFTE-UHFFFAOYSA-N -2 3 392.372 0.289 20 0 GCADHL NS(=O)(=O)c1ccc([O-])c(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001571307294 946422414 /nfs/dbraw/zinc/42/24/14/946422414.db2.gz CODZIHGXGWLFTE-UHFFFAOYSA-N -2 3 392.372 0.289 20 0 GCADHL O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2)c1ccccc1[O-] ZINC001571310261 946466049 /nfs/dbraw/zinc/46/60/49/946466049.db2.gz ZVULYLIOHMGTOW-ZIAGYGMSSA-N -2 3 392.423 0.937 20 0 GCADHL O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2)c1ccccc1[O-] ZINC001571310258 946466719 /nfs/dbraw/zinc/46/67/19/946466719.db2.gz ZVULYLIOHMGTOW-KBPBESRZSA-N -2 3 392.423 0.937 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825759270 947321734 /nfs/dbraw/zinc/32/17/34/947321734.db2.gz AXNRQXCWSVBLFH-UHFFFAOYSA-N -2 3 375.414 0.422 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825759270 947321746 /nfs/dbraw/zinc/32/17/46/947321746.db2.gz AXNRQXCWSVBLFH-UHFFFAOYSA-N -2 3 375.414 0.422 20 0 GCADHL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826089997 947424850 /nfs/dbraw/zinc/42/48/50/947424850.db2.gz BPDHRYVGXYMBNF-UHFFFAOYSA-N -2 3 394.438 0.576 20 0 GCADHL CNS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826089997 947424857 /nfs/dbraw/zinc/42/48/57/947424857.db2.gz BPDHRYVGXYMBNF-UHFFFAOYSA-N -2 3 394.438 0.576 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000826174023 947539935 /nfs/dbraw/zinc/53/99/35/947539935.db2.gz GBPJQTJFXGZFKG-UHFFFAOYSA-N -2 3 375.385 0.967 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000826174023 947539948 /nfs/dbraw/zinc/53/99/48/947539948.db2.gz GBPJQTJFXGZFKG-UHFFFAOYSA-N -2 3 375.385 0.967 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1N(C)C ZINC000826292673 947849354 /nfs/dbraw/zinc/84/93/54/947849354.db2.gz GTCUDMJFTKMHJG-UHFFFAOYSA-N -2 3 375.414 0.688 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1N(C)C ZINC000826292673 947849357 /nfs/dbraw/zinc/84/93/57/947849357.db2.gz GTCUDMJFTKMHJG-UHFFFAOYSA-N -2 3 375.414 0.688 20 0 GCADHL Cc1nc(SCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327852 947953829 /nfs/dbraw/zinc/95/38/29/947953829.db2.gz WQAWQEDGADMEIY-INIZCTEOSA-N -2 3 392.441 0.639 20 0 GCADHL Cc1nc(SCC(=O)N[C@@]2(C(=O)[O-])CCOC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327852 947953835 /nfs/dbraw/zinc/95/38/35/947953835.db2.gz WQAWQEDGADMEIY-INIZCTEOSA-N -2 3 392.441 0.639 20 0 GCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826418333 948260206 /nfs/dbraw/zinc/26/02/06/948260206.db2.gz BBEFSHYHQLCBTL-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826418333 948260221 /nfs/dbraw/zinc/26/02/21/948260221.db2.gz BBEFSHYHQLCBTL-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000826421970 948267361 /nfs/dbraw/zinc/26/73/61/948267361.db2.gz HZHPLLAJUQRZAR-UHFFFAOYSA-N -2 3 385.405 0.945 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000826421970 948267369 /nfs/dbraw/zinc/26/73/69/948267369.db2.gz HZHPLLAJUQRZAR-UHFFFAOYSA-N -2 3 385.405 0.945 20 0 GCADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000826497241 948411181 /nfs/dbraw/zinc/41/11/81/948411181.db2.gz ZHTQGOKKMPKFIX-UHFFFAOYSA-N -2 3 391.434 0.997 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900314 950195056 /nfs/dbraw/zinc/19/50/56/950195056.db2.gz DNUUIADYANEYLR-ZJUUUORDSA-N -2 3 382.384 0.328 20 0 GCADHL 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CCN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1=O ZINC000391585301 972348508 /nfs/dbraw/zinc/34/85/08/972348508.db2.gz ZWCCHWKPXDFJPJ-LURJTMIESA-N -2 3 381.204 0.639 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCn2ccnn2)c(Br)o1 ZINC000126248964 958581474 /nfs/dbraw/zinc/58/14/74/958581474.db2.gz MNSRPAXTQXVPQZ-UHFFFAOYSA-N -2 3 379.192 0.700 20 0 GCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)c1cccn(CC(=O)[O-])c1=O ZINC001594171382 959002369 /nfs/dbraw/zinc/00/23/69/959002369.db2.gz NHLDQQYAUNYPRM-UHFFFAOYSA-N -2 3 397.384 0.374 20 0 GCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001594467616 959513305 /nfs/dbraw/zinc/51/33/05/959513305.db2.gz FOWBVDMJUZAIOU-LBPRGKRZSA-N -2 3 376.413 0.347 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)N2CCCC2)c(Br)o1 ZINC000228792066 960042336 /nfs/dbraw/zinc/04/23/36/960042336.db2.gz HLVBKNWQJQIDSX-UHFFFAOYSA-N -2 3 381.204 0.641 20 0 GCADHL CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000231840925 960210669 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CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)c(OC)c1 ZINC000547575389 531099929 /nfs/dbraw/zinc/09/99/29/531099929.db2.gz HZSBHMYGMKTHJE-ZDUSSCGKSA-N -2 3 392.455 0.598 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)[O-] ZINC000547573523 531099937 /nfs/dbraw/zinc/09/99/37/531099937.db2.gz WLKLAQVCJGFMJR-SECBINFHSA-N -2 3 396.215 0.614 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2CC2)c(OC)c1 ZINC000547575388 531100045 /nfs/dbraw/zinc/10/00/45/531100045.db2.gz HZSBHMYGMKTHJE-CYBMUJFWSA-N -2 3 392.455 0.598 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547608498 531101471 /nfs/dbraw/zinc/10/14/71/531101471.db2.gz DVSGSSHUKBPIMA-CQSZACIVSA-N -3 3 393.801 0.971 20 0 GCADHL O=C([O-])[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000666538789 531102261 /nfs/dbraw/zinc/10/22/61/531102261.db2.gz PQUABOKOLKSOQP-QMMMGPOBSA-N -2 3 397.862 0.175 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000547889070 531105551 /nfs/dbraw/zinc/10/55/51/531105551.db2.gz GDEMWVOLWAQTFT-UHFFFAOYSA-N -2 3 375.399 0.788 20 0 GCADHL C[C@@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000547893848 531105617 /nfs/dbraw/zinc/10/56/17/531105617.db2.gz YCJCGRMGISYEHY-WRWORJQWSA-N -2 3 398.459 0.734 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000547891907 531105686 /nfs/dbraw/zinc/10/56/86/531105686.db2.gz RQBYRIITMXKKNF-SNVBAGLBSA-N -2 3 387.439 0.490 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)[O-] ZINC000547889735 531105804 /nfs/dbraw/zinc/10/58/04/531105804.db2.gz JUBOUXFUSIDHBB-LLVKDONJSA-N -2 3 392.499 0.831 20 0 GCADHL O=C([O-])[C@@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000547900002 531106479 /nfs/dbraw/zinc/10/64/79/531106479.db2.gz LJOMEWFDYDJFSX-MRVPVSSYSA-N -2 3 381.332 0.312 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000547917214 531106749 /nfs/dbraw/zinc/10/67/49/531106749.db2.gz DKWJBBLCIVPAIJ-QMMMGPOBSA-N -3 3 376.778 0.287 20 0 GCADHL C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H]1C(=O)[O-] ZINC000547916401 531106868 /nfs/dbraw/zinc/10/68/68/531106868.db2.gz VMVDVKFNNIDSGU-UFBFGSQYSA-N -2 3 380.419 0.681 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000547932064 531107336 /nfs/dbraw/zinc/10/73/36/531107336.db2.gz UZZIKZQBSNFXEV-AWEZNQCLSA-N -3 3 393.801 0.971 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CCC(=O)OC)C(=O)[O-] ZINC000547932107 531107403 /nfs/dbraw/zinc/10/74/03/531107403.db2.gz WKWQQOCCOLBJJA-MRVPVSSYSA-N -2 3 377.371 0.313 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])s1 ZINC000547939472 531107824 /nfs/dbraw/zinc/10/78/24/531107824.db2.gz IIOVWEFSIVHJJY-CQSZACIVSA-N -3 3 392.455 0.271 20 0 GCADHL O=C([O-])[C@H](Cn1ccc(C(F)(F)F)n1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000548207005 531111430 /nfs/dbraw/zinc/11/14/30/531111430.db2.gz DMNQUSNBTBUHBX-VIFPVBQESA-N -2 3 382.295 0.868 20 0 GCADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C(=O)[O-])c1 ZINC000548210557 531111606 /nfs/dbraw/zinc/11/16/06/531111606.db2.gz XYJLMKYWWYCTMH-NSHDSACASA-N -2 3 389.231 0.781 20 0 GCADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-] ZINC000548219352 531112072 /nfs/dbraw/zinc/11/20/72/531112072.db2.gz LYSQDZZQUSHOIY-VIFPVBQESA-N -2 3 386.195 0.975 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000548260315 531113704 /nfs/dbraw/zinc/11/37/04/531113704.db2.gz BUIQZALFWKLAOX-UHFFFAOYSA-N -2 3 388.789 0.281 20 0 GCADHL COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000548262168 531113894 /nfs/dbraw/zinc/11/38/94/531113894.db2.gz ORSZZAWPBXOSST-UHFFFAOYSA-N -2 3 396.215 0.615 20 0 GCADHL C[C@H]1CN(CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCO1 ZINC000548368962 531115317 /nfs/dbraw/zinc/11/53/17/531115317.db2.gz DJIBXKMZSXBOTC-NSHDSACASA-N -2 3 395.478 0.196 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000548528792 531117841 /nfs/dbraw/zinc/11/78/41/531117841.db2.gz FHXFNCMYZODENX-NSHDSACASA-N -2 3 376.456 0.934 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)[O-] ZINC000548531096 531117859 /nfs/dbraw/zinc/11/78/59/531117859.db2.gz POCWHPAOASSEFF-VIFPVBQESA-N -2 3 390.805 0.376 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000548535301 531117885 /nfs/dbraw/zinc/11/78/85/531117885.db2.gz ZFPDDTAINJMXDR-JTQLQIEISA-N -2 3 396.780 0.732 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548529951 531117975 /nfs/dbraw/zinc/11/79/75/531117975.db2.gz OFOASTRWERNMSW-TVQRCGJNSA-N -2 3 375.374 0.770 20 0 GCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)[C@@H]1CCOC1 ZINC000548538239 531118764 /nfs/dbraw/zinc/11/87/64/531118764.db2.gz FUMMVSUHZZURFD-OTYXRUKQSA-N -2 3 388.829 0.993 20 0 GCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)[C@@H]1CCOC1 ZINC000548538241 531118793 /nfs/dbraw/zinc/11/87/93/531118793.db2.gz FUMMVSUHZZURFD-YMTOWFKASA-N -2 3 388.829 0.993 20 0 GCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548596647 531120857 /nfs/dbraw/zinc/12/08/57/531120857.db2.gz QXBYFDCLFLIJHV-NSHDSACASA-N -3 3 396.418 0.298 20 0 GCADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)CC(=O)[O-] ZINC000548685058 531121287 /nfs/dbraw/zinc/12/12/87/531121287.db2.gz UEFHDYWZDOABBB-CYBMUJFWSA-N -2 3 378.790 0.526 20 0 GCADHL CSc1n[nH]c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000433392396 531129245 /nfs/dbraw/zinc/12/92/45/531129245.db2.gz ZQMGAJDVZWJUBZ-UHFFFAOYSA-N -2 3 381.436 0.838 20 0 GCADHL COc1ccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c([O-])c1 ZINC000436967375 531147373 /nfs/dbraw/zinc/14/73/73/531147373.db2.gz PBNPLHNKQVRVOY-UHFFFAOYSA-N -2 3 387.439 0.580 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000553494744 531153181 /nfs/dbraw/zinc/15/31/81/531153181.db2.gz NFUVMZDQOFOETE-UHFFFAOYSA-N -2 3 389.406 0.840 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCN=c1[n-]c(C(F)(F)F)ns1 ZINC000553494744 531153185 /nfs/dbraw/zinc/15/31/85/531153185.db2.gz NFUVMZDQOFOETE-UHFFFAOYSA-N -2 3 389.406 0.840 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)n[nH]2)cc1F ZINC000679202331 531155186 /nfs/dbraw/zinc/15/51/86/531155186.db2.gz FZNFIJAYFIHSLE-UHFFFAOYSA-N -2 3 391.406 0.210 20 0 GCADHL Cc1nc(CNC(=O)C[N-]S(=O)(=O)c2cccs2)sc1C(=O)[O-] ZINC000679398945 531155497 /nfs/dbraw/zinc/15/54/97/531155497.db2.gz LUUCEWLXBUKUQV-UHFFFAOYSA-N -2 3 375.453 0.806 20 0 GCADHL Cn1nncc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000629285368 531161419 /nfs/dbraw/zinc/16/14/19/531161419.db2.gz SDWALMBRZBOCEI-UHFFFAOYSA-N -2 3 399.376 0.457 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000629302794 531162728 /nfs/dbraw/zinc/16/27/28/531162728.db2.gz AQQPHZCBJZJLSJ-SECBINFHSA-N -2 3 398.409 0.468 20 0 GCADHL C[C@@H]([C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-])C1CC1 ZINC000554675125 531164322 /nfs/dbraw/zinc/16/43/22/531164322.db2.gz LZQKGILEHKHJKC-OQPBUACISA-N -2 3 394.446 0.975 20 0 GCADHL C[C@@H]([C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-])C1CC1 ZINC000554675122 531164582 /nfs/dbraw/zinc/16/45/82/531164582.db2.gz LZQKGILEHKHJKC-AMIZOPFISA-N -2 3 394.446 0.975 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000682897934 531176040 /nfs/dbraw/zinc/17/60/40/531176040.db2.gz OLPYEWAQQPPDSB-ZWNOBZJWSA-N -2 3 376.456 0.469 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000564700823 531176132 /nfs/dbraw/zinc/17/61/32/531176132.db2.gz TVRPSDMSOVGFKU-MRVPVSSYSA-N -3 3 377.371 0.615 20 0 GCADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000564780969 531176657 /nfs/dbraw/zinc/17/66/57/531176657.db2.gz FFRJGILIDISXEY-NSHDSACASA-N -2 3 378.472 0.716 20 0 GCADHL C[C@H](CCC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000564780966 531176741 /nfs/dbraw/zinc/17/67/41/531176741.db2.gz FFRJGILIDISXEY-LLVKDONJSA-N -2 3 378.472 0.716 20 0 GCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])s1 ZINC000565053485 531178809 /nfs/dbraw/zinc/17/88/09/531178809.db2.gz CCTRGKAWJASUPU-LLVKDONJSA-N -2 3 384.439 0.718 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C(=O)[O-])c(OC)c1 ZINC000565859691 531191199 /nfs/dbraw/zinc/19/11/99/531191199.db2.gz GCBVSUXRSDGRIJ-UHFFFAOYSA-N -2 3 380.444 0.598 20 0 GCADHL CC(C)([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000685411302 531190901 /nfs/dbraw/zinc/19/09/01/531190901.db2.gz BLJLJWQSCWNQLA-UHFFFAOYSA-N -2 3 376.456 0.613 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1cccs1)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000685637347 531192219 /nfs/dbraw/zinc/19/22/19/531192219.db2.gz ILMTUAPCICBFPS-ZDUSSCGKSA-N -2 3 378.439 0.445 20 0 GCADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566119096 531194765 /nfs/dbraw/zinc/19/47/65/531194765.db2.gz QPTMSJHBVGMTLD-SMDDNHRTSA-N -2 3 392.499 0.961 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCc1n[nH]c(=O)[n-]1 ZINC000685770886 531193464 /nfs/dbraw/zinc/19/34/64/531193464.db2.gz SOZGVAKRYUUVLW-UHFFFAOYSA-N -2 3 380.213 0.412 20 0 GCADHL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737769560 598841982 /nfs/dbraw/zinc/84/19/82/598841982.db2.gz NJVZCZJSPUGNKP-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737769560 598841984 /nfs/dbraw/zinc/84/19/84/598841984.db2.gz NJVZCZJSPUGNKP-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737756845 598843797 /nfs/dbraw/zinc/84/37/97/598843797.db2.gz ZYPPTUGSVPDQOW-UHFFFAOYSA-N -2 3 391.388 0.975 20 0 GCADHL NC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737756845 598843798 /nfs/dbraw/zinc/84/37/98/598843798.db2.gz ZYPPTUGSVPDQOW-UHFFFAOYSA-N -2 3 391.388 0.975 20 0 GCADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735691888 598855357 /nfs/dbraw/zinc/85/53/57/598855357.db2.gz QMJMIHBSVVTPQM-CQSZACIVSA-N -2 3 392.441 0.319 20 0 GCADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735691888 598855359 /nfs/dbraw/zinc/85/53/59/598855359.db2.gz QMJMIHBSVVTPQM-CQSZACIVSA-N -2 3 392.441 0.319 20 0 GCADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000735692804 598855407 /nfs/dbraw/zinc/85/54/07/598855407.db2.gz UPVAPOSIEATAJL-AWEZNQCLSA-N -2 3 392.441 0.319 20 0 GCADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000735692804 598855409 /nfs/dbraw/zinc/85/54/09/598855409.db2.gz UPVAPOSIEATAJL-AWEZNQCLSA-N -2 3 392.441 0.319 20 0 GCADHL Cn1c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cc2[nH]c1=O ZINC000737591373 598856287 /nfs/dbraw/zinc/85/62/87/598856287.db2.gz RSBISZSFBACVPS-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL Cn1c2ccc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cc2[nH]c1=O ZINC000737591373 598856289 /nfs/dbraw/zinc/85/62/89/598856289.db2.gz RSBISZSFBACVPS-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737917520 598856387 /nfs/dbraw/zinc/85/63/87/598856387.db2.gz ZVUFFSIGDHZAOM-ZDUSSCGKSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737917520 598856389 /nfs/dbraw/zinc/85/63/89/598856389.db2.gz ZVUFFSIGDHZAOM-ZDUSSCGKSA-N -2 3 381.414 0.008 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2nncn2c1 ZINC000738140921 598856394 /nfs/dbraw/zinc/85/63/94/598856394.db2.gz ZOFPPIZSUOSASX-UHFFFAOYSA-N -2 3 384.381 0.169 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2nncn2c1 ZINC000738140921 598856396 /nfs/dbraw/zinc/85/63/96/598856396.db2.gz ZOFPPIZSUOSASX-UHFFFAOYSA-N -2 3 384.381 0.169 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738340517 598891324 /nfs/dbraw/zinc/89/13/24/598891324.db2.gz WTGXPAUKSQETDQ-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738340517 598891326 /nfs/dbraw/zinc/89/13/26/598891326.db2.gz WTGXPAUKSQETDQ-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736913279 598924553 /nfs/dbraw/zinc/92/45/53/598924553.db2.gz MHXZKYOJJMXACX-HJWRWDBZSA-N -2 3 379.398 0.279 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736913279 598924555 /nfs/dbraw/zinc/92/45/55/598924555.db2.gz MHXZKYOJJMXACX-HJWRWDBZSA-N -2 3 379.398 0.279 20 0 GCADHL CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736718429 598924723 /nfs/dbraw/zinc/92/47/23/598924723.db2.gz LDVJBVLCYTUYDT-UHFFFAOYSA-N -2 3 381.805 0.855 20 0 GCADHL CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736718429 598924725 /nfs/dbraw/zinc/92/47/25/598924725.db2.gz LDVJBVLCYTUYDT-UHFFFAOYSA-N -2 3 381.805 0.855 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736913334 598924827 /nfs/dbraw/zinc/92/48/27/598924827.db2.gz NEGLFELXPDRRRH-JTQLQIEISA-N -2 3 397.413 0.033 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736913334 598924829 /nfs/dbraw/zinc/92/48/29/598924829.db2.gz NEGLFELXPDRRRH-JTQLQIEISA-N -2 3 397.413 0.033 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1C ZINC000821667132 607255701 /nfs/dbraw/zinc/25/57/01/607255701.db2.gz WGMAUWRCHZKIIO-UHFFFAOYSA-N -2 3 377.386 0.794 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821667132 607255702 /nfs/dbraw/zinc/25/57/02/607255702.db2.gz WGMAUWRCHZKIIO-UHFFFAOYSA-N -2 3 377.386 0.794 20 0 GCADHL Cc1nn2c([n-]nc2SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)nc1=O ZINC000737524291 598971201 /nfs/dbraw/zinc/97/12/01/598971201.db2.gz WTBQTGHSIDVOAT-UHFFFAOYSA-N -2 3 384.385 0.032 20 0 GCADHL Cc1nn2c([n-]nc2SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)nc1=O ZINC000737524291 598971203 /nfs/dbraw/zinc/97/12/03/598971203.db2.gz WTBQTGHSIDVOAT-UHFFFAOYSA-N -2 3 384.385 0.032 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736624045 598975968 /nfs/dbraw/zinc/97/59/68/598975968.db2.gz QEENMNUBGJXZCY-NSHDSACASA-N -2 3 383.430 0.422 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736624045 598975970 /nfs/dbraw/zinc/97/59/70/598975970.db2.gz QEENMNUBGJXZCY-NSHDSACASA-N -2 3 383.430 0.422 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736624044 598976060 /nfs/dbraw/zinc/97/60/60/598976060.db2.gz QEENMNUBGJXZCY-LLVKDONJSA-N -2 3 383.430 0.422 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736624044 598976061 /nfs/dbraw/zinc/97/60/61/598976061.db2.gz QEENMNUBGJXZCY-LLVKDONJSA-N -2 3 383.430 0.422 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000737299061 598976416 /nfs/dbraw/zinc/97/64/16/598976416.db2.gz PFOZRSMVWUYICO-UHFFFAOYSA-N -2 3 392.441 0.286 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCNC(=O)C1CC1 ZINC000737299061 598976417 /nfs/dbraw/zinc/97/64/17/598976417.db2.gz PFOZRSMVWUYICO-UHFFFAOYSA-N -2 3 392.441 0.286 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000737298864 598976611 /nfs/dbraw/zinc/97/66/11/598976611.db2.gz MHPLTLSWPHYXMT-AAEUAGOBSA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@@H]1CCCO1 ZINC000737298864 598976613 /nfs/dbraw/zinc/97/66/13/598976613.db2.gz MHPLTLSWPHYXMT-AAEUAGOBSA-N -2 3 395.441 0.564 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737930715 599191952 /nfs/dbraw/zinc/19/19/52/599191952.db2.gz DPLGMFOAULUQMG-UHFFFAOYSA-N -2 3 390.450 1.000 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccccn1 ZINC000737930715 599191953 /nfs/dbraw/zinc/19/19/53/599191953.db2.gz DPLGMFOAULUQMG-UHFFFAOYSA-N -2 3 390.450 1.000 20 0 GCADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821314430 607259607 /nfs/dbraw/zinc/25/96/07/607259607.db2.gz LIGNRUQCXYXMCS-ZETCQYMHSA-N -2 3 375.357 0.622 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736170005 598306757 /nfs/dbraw/zinc/30/67/57/598306757.db2.gz QLUWFLIGMUDFBH-SMDDNHRTSA-N -2 3 395.441 0.649 20 0 GCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737800146 598307047 /nfs/dbraw/zinc/30/70/47/598307047.db2.gz KKVPHKOGSZIHQB-YXVBKTCISA-N -2 3 377.426 0.895 20 0 GCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737800146 598307048 /nfs/dbraw/zinc/30/70/48/598307048.db2.gz KKVPHKOGSZIHQB-YXVBKTCISA-N -2 3 377.426 0.895 20 0 GCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737930826 598307335 /nfs/dbraw/zinc/30/73/35/598307335.db2.gz OJGLHVLBVZDDKF-LLVKDONJSA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737930826 598307338 /nfs/dbraw/zinc/30/73/38/598307338.db2.gz OJGLHVLBVZDDKF-LLVKDONJSA-N -2 3 381.414 0.261 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736932558 598331981 /nfs/dbraw/zinc/33/19/81/598331981.db2.gz OHGYDXRUQXTSBX-UHFFFAOYSA-N -2 3 382.402 0.150 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736932558 598331982 /nfs/dbraw/zinc/33/19/82/598331982.db2.gz OHGYDXRUQXTSBX-UHFFFAOYSA-N -2 3 382.402 0.150 20 0 GCADHL O=S(=O)([N-]c1cccnc1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738343316 598333361 /nfs/dbraw/zinc/33/33/61/598333361.db2.gz WZAIGCLXMMHFGP-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737885047 598374582 /nfs/dbraw/zinc/37/45/82/598374582.db2.gz RAIMLUASYGRDMT-UHFFFAOYSA-N -2 3 398.404 0.328 20 0 GCADHL O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737885047 598374583 /nfs/dbraw/zinc/37/45/83/598374583.db2.gz RAIMLUASYGRDMT-UHFFFAOYSA-N -2 3 398.404 0.328 20 0 GCADHL Cc1nn2c(S[C@@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)n[n-]c2nc1=O ZINC000737521942 598378912 /nfs/dbraw/zinc/37/89/12/598378912.db2.gz LCGIMAZBIYGNBE-QMMMGPOBSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1nn2c(S[C@@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)n[n-]c2nc1=O ZINC000737521942 598378914 /nfs/dbraw/zinc/37/89/14/598378914.db2.gz LCGIMAZBIYGNBE-QMMMGPOBSA-N -2 3 398.412 0.420 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736728717 598412681 /nfs/dbraw/zinc/41/26/81/598412681.db2.gz PDBZMKVVFUNQBH-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736728717 598412682 /nfs/dbraw/zinc/41/26/82/598412682.db2.gz PDBZMKVVFUNQBH-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736305821 598414586 /nfs/dbraw/zinc/41/45/86/598414586.db2.gz WZBVKMNNKONBSF-ZETCQYMHSA-N -2 3 386.821 0.240 20 0 GCADHL CCC(=O)N[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736305821 598414588 /nfs/dbraw/zinc/41/45/88/598414588.db2.gz WZBVKMNNKONBSF-ZETCQYMHSA-N -2 3 386.821 0.240 20 0 GCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1C ZINC000736671214 598416251 /nfs/dbraw/zinc/41/62/51/598416251.db2.gz URCQNQQZCZXOHF-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1C ZINC000736671214 598416253 /nfs/dbraw/zinc/41/62/53/598416253.db2.gz URCQNQQZCZXOHF-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735906208 598423832 /nfs/dbraw/zinc/42/38/32/598423832.db2.gz PSPPQXMAVPMRKL-UHFFFAOYSA-N -2 3 395.383 0.677 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505715 598424448 /nfs/dbraw/zinc/42/44/48/598424448.db2.gz KZHWHPOYTAHPDX-LLVKDONJSA-N -2 3 393.411 0.861 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505715 598424451 /nfs/dbraw/zinc/42/44/51/598424451.db2.gz KZHWHPOYTAHPDX-LLVKDONJSA-N -2 3 393.411 0.861 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000736505717 598424509 /nfs/dbraw/zinc/42/45/09/598424509.db2.gz KZHWHPOYTAHPDX-NSHDSACASA-N -2 3 393.411 0.861 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736505717 598424511 /nfs/dbraw/zinc/42/45/11/598424511.db2.gz KZHWHPOYTAHPDX-NSHDSACASA-N -2 3 393.411 0.861 20 0 GCADHL Cn1nccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC000737626432 598450455 /nfs/dbraw/zinc/45/04/55/598450455.db2.gz COORGFNELJZNCP-UHFFFAOYSA-N -2 3 386.401 0.169 20 0 GCADHL Cn1nccc1S(=O)(=O)[N-]c1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC000737626432 598450457 /nfs/dbraw/zinc/45/04/57/598450457.db2.gz COORGFNELJZNCP-UHFFFAOYSA-N -2 3 386.401 0.169 20 0 GCADHL CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000736398078 598472948 /nfs/dbraw/zinc/47/29/48/598472948.db2.gz YIRJDQIIQBOKAZ-GOSISDBHSA-N -2 3 392.379 0.764 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737520183 598535991 /nfs/dbraw/zinc/53/59/91/598535991.db2.gz BZOZVDXGTIXLLM-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737520183 598535993 /nfs/dbraw/zinc/53/59/93/598535993.db2.gz BZOZVDXGTIXLLM-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737521005 598536108 /nfs/dbraw/zinc/53/61/08/598536108.db2.gz GZMAXFCLJNTBHN-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737521005 598536110 /nfs/dbraw/zinc/53/61/10/598536110.db2.gz GZMAXFCLJNTBHN-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736603480 598593048 /nfs/dbraw/zinc/59/30/48/598593048.db2.gz XGIOOTIEGDLHRT-UHFFFAOYSA-N -2 3 381.349 0.706 20 0 GCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736603480 598593050 /nfs/dbraw/zinc/59/30/50/598593050.db2.gz XGIOOTIEGDLHRT-UHFFFAOYSA-N -2 3 381.349 0.706 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1S(N)(=O)=O ZINC000737281704 598595340 /nfs/dbraw/zinc/59/53/40/598595340.db2.gz WJAREBUXWVXORB-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)ccc1S(N)(=O)=O ZINC000737280479 598595470 /nfs/dbraw/zinc/59/54/70/598595470.db2.gz KZWRNOKRPSHXHX-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)ccc1S(N)(=O)=O ZINC000737280479 598595471 /nfs/dbraw/zinc/59/54/71/598595471.db2.gz KZWRNOKRPSHXHX-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735661676 598652926 /nfs/dbraw/zinc/65/29/26/598652926.db2.gz WRMHIVPQGCAJBY-UHFFFAOYSA-N -2 3 382.388 0.447 20 0 GCADHL CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735661676 598652927 /nfs/dbraw/zinc/65/29/27/598652927.db2.gz WRMHIVPQGCAJBY-UHFFFAOYSA-N -2 3 382.388 0.447 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735794709 598733451 /nfs/dbraw/zinc/73/34/51/598733451.db2.gz BOLXVYQZSOIKKW-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735794709 598733453 /nfs/dbraw/zinc/73/34/53/598733453.db2.gz BOLXVYQZSOIKKW-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737759424 598752680 /nfs/dbraw/zinc/75/26/80/598752680.db2.gz AOYSASHSFKAYIR-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737759424 598752681 /nfs/dbraw/zinc/75/26/81/598752681.db2.gz AOYSASHSFKAYIR-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736163861 598786013 /nfs/dbraw/zinc/78/60/13/598786013.db2.gz KYGPHTJSJRXBOS-BXUZGUMPSA-N -2 3 395.441 0.397 20 0 GCADHL C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736163861 598786014 /nfs/dbraw/zinc/78/60/14/598786014.db2.gz KYGPHTJSJRXBOS-BXUZGUMPSA-N -2 3 395.441 0.397 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735467206 598798673 /nfs/dbraw/zinc/79/86/73/598798673.db2.gz ZJFMCPLUEYQNIK-CQSZACIVSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735467206 598798674 /nfs/dbraw/zinc/79/86/74/598798674.db2.gz ZJFMCPLUEYQNIK-CQSZACIVSA-N -2 3 392.441 0.071 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735884650 599358365 /nfs/dbraw/zinc/35/83/65/599358365.db2.gz NJHCUEFDHQDVRX-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735884650 599358368 /nfs/dbraw/zinc/35/83/68/599358368.db2.gz NJHCUEFDHQDVRX-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821114363 599619836 /nfs/dbraw/zinc/61/98/36/599619836.db2.gz PKWADEITXQXWJZ-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821114363 599619837 /nfs/dbraw/zinc/61/98/37/599619837.db2.gz PKWADEITXQXWJZ-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1=COCC1 ZINC000823284730 599620289 /nfs/dbraw/zinc/62/02/89/599620289.db2.gz IZYCDGJQZPPMBR-UHFFFAOYSA-N -2 3 389.315 0.995 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1=COCC1 ZINC000823284730 599620290 /nfs/dbraw/zinc/62/02/90/599620290.db2.gz IZYCDGJQZPPMBR-UHFFFAOYSA-N -2 3 389.315 0.995 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000822224158 599624758 /nfs/dbraw/zinc/62/47/58/599624758.db2.gz XYXNUNILRCBZFO-UHFFFAOYSA-N -2 3 387.425 0.905 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(C2CC2)n(C)n1 ZINC000822224158 599624759 /nfs/dbraw/zinc/62/47/59/599624759.db2.gz XYXNUNILRCBZFO-UHFFFAOYSA-N -2 3 387.425 0.905 20 0 GCADHL CCOC(=O)C1([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)Cc2ccccc2C1 ZINC000737135275 599797983 /nfs/dbraw/zinc/79/79/83/599797983.db2.gz WCJIHLAVKINEAS-UHFFFAOYSA-N -2 3 396.465 0.718 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000826249838 607401056 /nfs/dbraw/zinc/40/10/56/607401056.db2.gz XMPALGKXIDUNEP-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(C(N)=O)s1 ZINC000826249838 607401057 /nfs/dbraw/zinc/40/10/57/607401057.db2.gz XMPALGKXIDUNEP-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL CC(C)Oc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1-c1nnn[n-]1 ZINC000820165243 607406914 /nfs/dbraw/zinc/40/69/14/607406914.db2.gz OOHOMCXTWUTQHQ-UHFFFAOYSA-N -2 3 395.383 0.677 20 0 GCADHL CC(C)Oc1ccc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1-c1nn[n-]n1 ZINC000820165243 607406916 /nfs/dbraw/zinc/40/69/16/607406916.db2.gz OOHOMCXTWUTQHQ-UHFFFAOYSA-N -2 3 395.383 0.677 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000737226209 599986665 /nfs/dbraw/zinc/98/66/65/599986665.db2.gz FCWKQORJNBFCDF-CYBMUJFWSA-N -2 3 387.414 0.774 20 0 GCADHL CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H](C(=O)[O-])c1ccccc1 ZINC000737327553 600194004 /nfs/dbraw/zinc/19/40/04/600194004.db2.gz OQCKVIPHCVXEBR-LBPRGKRZSA-N -2 3 396.197 0.996 20 0 GCADHL COc1ccc(S(N)(=O)=O)cc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738068987 600204236 /nfs/dbraw/zinc/20/42/36/600204236.db2.gz HIHYENJBNOAVOU-UHFFFAOYSA-N -2 3 386.411 0.464 20 0 GCADHL COC(=O)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000737592833 600242496 /nfs/dbraw/zinc/24/24/96/600242496.db2.gz SGZNISVCAOMTEY-LLVKDONJSA-N -2 3 388.373 0.013 20 0 GCADHL CN(C)C[C@H]1CN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CCO1 ZINC000737365855 600258895 /nfs/dbraw/zinc/25/88/95/600258895.db2.gz OUAPNZFNKYXWSM-INIZCTEOSA-N -2 3 388.424 0.195 20 0 GCADHL Cc1ccc(C(=O)NCCC(=O)N(CCN2CCOCC2)CC(=O)[O-])c([O-])c1 ZINC000738515381 600442275 /nfs/dbraw/zinc/44/22/75/600442275.db2.gz XNXXSHXEZQHRPF-UHFFFAOYSA-N -2 3 393.440 0.066 20 0 GCADHL O=C([O-])CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739812571 600510447 /nfs/dbraw/zinc/51/04/47/600510447.db2.gz HMUPPKHDMSGSNY-UHFFFAOYSA-N -2 3 389.339 0.601 20 0 GCADHL COC[C@@H]1CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[n-]2)C1 ZINC000737752707 600573876 /nfs/dbraw/zinc/57/38/76/600573876.db2.gz XBGZHUASDVNKDL-SECBINFHSA-N -2 3 395.437 0.867 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)NC2CC2)c(F)cc1Br ZINC000739310288 600633212 /nfs/dbraw/zinc/63/32/12/600633212.db2.gz ZAGPDZKDGWGFKZ-UHFFFAOYSA-N -2 3 395.206 0.843 20 0 GCADHL COCCN(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000737785637 600633516 /nfs/dbraw/zinc/63/35/16/600633516.db2.gz DMROQMAZUSFSSJ-UHFFFAOYSA-N -2 3 384.863 0.630 20 0 GCADHL Cc1oc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)cc1C(=O)[O-] ZINC000833026815 600687866 /nfs/dbraw/zinc/68/78/66/600687866.db2.gz MLFGAUMWBDRKHN-UHFFFAOYSA-N -2 3 389.407 0.975 20 0 GCADHL Cc1oc(C(=O)[O-])cc1COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000833025003 600687895 /nfs/dbraw/zinc/68/78/95/600687895.db2.gz BNVNDDXCTAMUHL-UHFFFAOYSA-N -2 3 389.407 0.975 20 0 GCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183379 600798603 /nfs/dbraw/zinc/79/86/03/600798603.db2.gz HEZZGPUTJQORAI-NHYWBVRUSA-N -2 3 392.437 0.732 20 0 GCADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2=O)n(C)n1 ZINC000832891272 601224074 /nfs/dbraw/zinc/22/40/74/601224074.db2.gz NWVPIJUGVRJLPK-LBPRGKRZSA-N -2 3 396.425 0.802 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027756 601224100 /nfs/dbraw/zinc/22/41/00/601224100.db2.gz JBHRTLHFAYCILF-UFBFGSQYSA-N -2 3 382.398 0.492 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000831138719 601230683 /nfs/dbraw/zinc/23/06/83/601230683.db2.gz IWJGWZXWEDZNKK-ZETCQYMHSA-N -2 3 381.309 0.046 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000820833009 607496489 /nfs/dbraw/zinc/49/64/89/607496489.db2.gz PWLIWXOINFIZMI-GFCCVEGCSA-N -2 3 392.441 0.239 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000820833009 607496491 /nfs/dbraw/zinc/49/64/91/607496491.db2.gz PWLIWXOINFIZMI-GFCCVEGCSA-N -2 3 392.441 0.239 20 0 GCADHL COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831591746 601267451 /nfs/dbraw/zinc/26/74/51/601267451.db2.gz YUUMGMAGCQUWLH-AWEZNQCLSA-N -2 3 381.353 0.910 20 0 GCADHL O=C([O-])C1CCN(C(=O)CN2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000833190227 601389033 /nfs/dbraw/zinc/38/90/33/601389033.db2.gz SOEXZXQNTIWOBD-UHFFFAOYSA-N -2 3 375.425 0.473 20 0 GCADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(Cl)c(=O)[n-]c1=O ZINC000833121278 601577348 /nfs/dbraw/zinc/57/73/48/601577348.db2.gz CRPSRZXVKHCZQP-CYBMUJFWSA-N -2 3 390.783 0.896 20 0 GCADHL CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000828718689 601592786 /nfs/dbraw/zinc/59/27/86/601592786.db2.gz NSIZGEFWNAGEIW-SUMWQHHRSA-N -2 3 377.441 0.766 20 0 GCADHL CCCCC[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000829320547 601672852 /nfs/dbraw/zinc/67/28/52/601672852.db2.gz BRCVJJADSUHHPF-SECBINFHSA-N -2 3 376.207 0.861 20 0 GCADHL O=c1[n-]c(CNc2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)n[nH]1 ZINC000826501172 607521374 /nfs/dbraw/zinc/52/13/74/607521374.db2.gz CSTAHAQSNMZPBA-UHFFFAOYSA-N -2 3 375.299 0.874 20 0 GCADHL O=c1[n-]c(CNc2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)n[nH]1 ZINC000826501172 607521376 /nfs/dbraw/zinc/52/13/76/607521376.db2.gz CSTAHAQSNMZPBA-UHFFFAOYSA-N -2 3 375.299 0.874 20 0 GCADHL O=C([O-])[C@]1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCOC1 ZINC000537369099 601766976 /nfs/dbraw/zinc/76/69/76/601766976.db2.gz QEOHXTAJGSFVQG-INIZCTEOSA-N -2 3 397.384 0.928 20 0 GCADHL O=C([O-])[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CCCCC1 ZINC000833119351 601787865 /nfs/dbraw/zinc/78/78/65/601787865.db2.gz AUOKYTWPUPLRQF-NSHDSACASA-N -2 3 388.218 0.861 20 0 GCADHL COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831059691 601797988 /nfs/dbraw/zinc/79/79/88/601797988.db2.gz JMEAXNBMUBCXCC-WCBMZHEXSA-N -2 3 390.439 0.280 20 0 GCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCS(=O)(=O)CC1 ZINC000833175551 601808691 /nfs/dbraw/zinc/80/86/91/601808691.db2.gz HUCBPAYMPWRQBZ-UHFFFAOYSA-N -2 3 385.822 0.789 20 0 GCADHL C[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769513941 602112482 /nfs/dbraw/zinc/11/24/82/602112482.db2.gz MHMXXJDWIZUOKB-UWVGGRQHSA-N -2 3 375.834 0.868 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCOCC2)c(Br)o1 ZINC000055313060 602140126 /nfs/dbraw/zinc/14/01/26/602140126.db2.gz YHSLDPMSZGPHSJ-UHFFFAOYSA-N -2 3 383.220 0.351 20 0 GCADHL CN(C)C(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000390041544 602147810 /nfs/dbraw/zinc/14/78/10/602147810.db2.gz IUGWKVBYBASJEK-UHFFFAOYSA-N -2 3 383.220 0.887 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCN2CCOC2=O)c(Br)o1 ZINC000833305187 602153312 /nfs/dbraw/zinc/15/33/12/602153312.db2.gz WLJMYYBLGXMAQH-UHFFFAOYSA-N -2 3 397.203 0.861 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000831077794 602161184 /nfs/dbraw/zinc/16/11/84/602161184.db2.gz BULCTYLEGMLYIR-QMMMGPOBSA-N -2 3 382.188 0.970 20 0 GCADHL C[C@H](CC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000817870201 602195028 /nfs/dbraw/zinc/19/50/28/602195028.db2.gz ZKJZGJYOCXWZLO-GMTAPVOTSA-N -2 3 389.861 0.971 20 0 GCADHL C[C@@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827227193 602195626 /nfs/dbraw/zinc/19/56/26/602195626.db2.gz WYCKUSNOFUDFNT-LKFCYVNXSA-N -2 3 391.833 0.152 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)c1F ZINC000833294702 602225238 /nfs/dbraw/zinc/22/52/38/602225238.db2.gz VNBRGLAQXLHDDC-UHFFFAOYSA-N -2 3 383.394 0.766 20 0 GCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826328009 607606786 /nfs/dbraw/zinc/60/67/86/607606786.db2.gz CJNJXPIBATVICG-UHFFFAOYSA-N -2 3 380.368 0.913 20 0 GCADHL COCC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826153413 607635920 /nfs/dbraw/zinc/63/59/20/607635920.db2.gz MSVUNVVOGULDOC-ZDUSSCGKSA-N -2 3 377.373 0.211 20 0 GCADHL CSC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826226889 607639476 /nfs/dbraw/zinc/63/94/76/607639476.db2.gz IDYRRPTZYDJGOJ-LBPRGKRZSA-N -2 3 379.414 0.537 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1-c1nnn[n-]1 ZINC000825553032 607682600 /nfs/dbraw/zinc/68/26/00/607682600.db2.gz IRFUQDIOMXQVRF-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1-c1nn[n-]n1 ZINC000825553032 607682601 /nfs/dbraw/zinc/68/26/01/607682601.db2.gz IRFUQDIOMXQVRF-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1F ZINC000829901214 604811361 /nfs/dbraw/zinc/81/13/61/604811361.db2.gz VAHDYXGYKYLRLD-GFCCVEGCSA-N -2 3 384.382 0.385 20 0 GCADHL O=C([O-])Cn1cc(CCOC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC000833272078 604836568 /nfs/dbraw/zinc/83/65/68/604836568.db2.gz LYFJDCLCQCZXLV-CQSZACIVSA-N -2 3 388.380 0.459 20 0 GCADHL Cc1cc(N2CCN(C(=O)c3ccccc3[O-])CC2)n2nc(C(=O)[O-])nc2n1 ZINC000833746330 604903593 /nfs/dbraw/zinc/90/35/93/604903593.db2.gz ZFFWPVCQTLKMRH-UHFFFAOYSA-N -2 3 382.380 0.799 20 0 GCADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])n[nH]1 ZINC000833673563 605005119 /nfs/dbraw/zinc/00/51/19/605005119.db2.gz KPWNMCBEHDXPRQ-ZCFIWIBFSA-N -2 3 388.427 0.953 20 0 GCADHL CCc1nc([C@H](C)NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)n[nH]1 ZINC000833674042 605023881 /nfs/dbraw/zinc/02/38/81/605023881.db2.gz NZJVUNPZQHANCP-JTQLQIEISA-N -2 3 384.396 0.964 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c(Br)o1 ZINC000833780013 605033395 /nfs/dbraw/zinc/03/33/95/605033395.db2.gz KFSPGWZVRXTNHH-MRVPVSSYSA-N -2 3 398.231 0.806 20 0 GCADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2=O)n(C)n1 ZINC000833745714 605042242 /nfs/dbraw/zinc/04/22/42/605042242.db2.gz BZHZKPXOUVBKCV-VIFPVBQESA-N -2 3 399.454 0.357 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CO)COC2)c(F)cc1Br ZINC000833779715 605051649 /nfs/dbraw/zinc/05/16/49/605051649.db2.gz GHADUFPAOYBXFL-UHFFFAOYSA-N -2 3 398.206 0.574 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)c1nc(-c2nc[nH]n2)no1 ZINC000833471828 605078219 /nfs/dbraw/zinc/07/82/19/605078219.db2.gz TXRRFMWVGIIBQS-SNVBAGLBSA-N -2 3 399.433 0.183 20 0 GCADHL CN(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)S(=O)(=O)c1cccs1 ZINC000833693586 605211850 /nfs/dbraw/zinc/21/18/50/605211850.db2.gz FZVGUSPTYKZCRP-UHFFFAOYSA-N -2 3 394.452 0.638 20 0 GCADHL Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000833761021 605269353 /nfs/dbraw/zinc/26/93/53/605269353.db2.gz WPXURRWZEQMEJU-JTQLQIEISA-N -2 3 382.398 0.181 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C(=O)[O-])CC2)cc1F ZINC000829691277 605354531 /nfs/dbraw/zinc/35/45/31/605354531.db2.gz AIXWWEUVYJNOHK-UHFFFAOYSA-N -2 3 381.407 0.182 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000819866410 606176648 /nfs/dbraw/zinc/17/66/48/606176648.db2.gz MKXXMXNCWXKOAI-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000819866410 606176650 /nfs/dbraw/zinc/17/66/50/606176650.db2.gz MKXXMXNCWXKOAI-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819866176 606177013 /nfs/dbraw/zinc/17/70/13/606177013.db2.gz KGHFFVIQERKBMG-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819866176 606177014 /nfs/dbraw/zinc/17/70/14/606177014.db2.gz KGHFFVIQERKBMG-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823266508 606197833 /nfs/dbraw/zinc/19/78/33/606197833.db2.gz WIYUSJBAIRIIEK-UHFFFAOYSA-N -2 3 382.340 0.792 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823266508 606197835 /nfs/dbraw/zinc/19/78/35/606197835.db2.gz WIYUSJBAIRIIEK-UHFFFAOYSA-N -2 3 382.340 0.792 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000822885470 606467526 /nfs/dbraw/zinc/46/75/26/606467526.db2.gz QHOFKFHQUNJLHY-UHFFFAOYSA-N -2 3 384.424 0.207 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000822885470 606467528 /nfs/dbraw/zinc/46/75/28/606467528.db2.gz QHOFKFHQUNJLHY-UHFFFAOYSA-N -2 3 384.424 0.207 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822969637 606613097 /nfs/dbraw/zinc/61/30/97/606613097.db2.gz VBILERUJDQPSQV-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822969637 606613098 /nfs/dbraw/zinc/61/30/98/606613098.db2.gz VBILERUJDQPSQV-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 ZINC000822622461 606710244 /nfs/dbraw/zinc/71/02/44/606710244.db2.gz DLMKPXCAKVCGBM-UHFFFAOYSA-N -2 3 389.376 0.726 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000821669953 606710664 /nfs/dbraw/zinc/71/06/64/606710664.db2.gz GPNXIYXEFKUNPT-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821343289 606710804 /nfs/dbraw/zinc/71/08/04/606710804.db2.gz NOMOFVFAYFGZEN-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820836603 606710807 /nfs/dbraw/zinc/71/08/07/606710807.db2.gz CLKASCAJMXSYHO-UHFFFAOYSA-N -2 3 376.402 0.750 20 0 GCADHL O=S(=O)([N-]CCNc1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823579020 606737237 /nfs/dbraw/zinc/73/72/37/606737237.db2.gz YNYQNIDXKODKTA-UHFFFAOYSA-N -2 3 381.368 0.930 20 0 GCADHL Cc1nc([N-]S(=O)(=O)c2ccccc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822454306 606825319 /nfs/dbraw/zinc/82/53/19/606825319.db2.gz UYQKDHCVHNPESI-UHFFFAOYSA-N -2 3 382.409 0.979 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000821663950 606866128 /nfs/dbraw/zinc/86/61/28/606866128.db2.gz VWZKMAUFPIGCTI-UHFFFAOYSA-N -2 3 399.339 0.315 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000821663950 606866129 /nfs/dbraw/zinc/86/61/29/606866129.db2.gz VWZKMAUFPIGCTI-UHFFFAOYSA-N -2 3 399.339 0.315 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000821663738 606866276 /nfs/dbraw/zinc/86/62/76/606866276.db2.gz LUCMJWOXVDRFGR-UHFFFAOYSA-N -2 3 399.339 0.315 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821663738 606866278 /nfs/dbraw/zinc/86/62/78/606866278.db2.gz LUCMJWOXVDRFGR-UHFFFAOYSA-N -2 3 399.339 0.315 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)NC(C)(C)C ZINC000820438249 606888148 /nfs/dbraw/zinc/88/81/48/606888148.db2.gz LPBPARMJEMKMPW-ZETCQYMHSA-N -2 3 388.400 0.726 20 0 GCADHL Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000822463019 606889115 /nfs/dbraw/zinc/88/91/15/606889115.db2.gz MMHYZONQYGNAFM-SECBINFHSA-N -2 3 396.383 0.338 20 0 GCADHL Cc1noc(CCC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822527882 606890813 /nfs/dbraw/zinc/89/08/13/606890813.db2.gz IFKCZUHUVADRLV-UHFFFAOYSA-N -2 3 385.356 0.747 20 0 GCADHL CC(C)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC000820126613 606891482 /nfs/dbraw/zinc/89/14/82/606891482.db2.gz BCFSNEFHRNWHGO-NSHDSACASA-N -2 3 386.384 0.433 20 0 GCADHL COC(=O)[C@@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821638925 606892457 /nfs/dbraw/zinc/89/24/57/606892457.db2.gz LFWXRXMGMOHANN-AWEZNQCLSA-N -2 3 387.368 0.765 20 0 GCADHL NC(=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859104 606892690 /nfs/dbraw/zinc/89/26/90/606892690.db2.gz FMYBURJKHLUEEM-VXNVDRBHSA-N -2 3 386.384 0.467 20 0 GCADHL O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572522 606893151 /nfs/dbraw/zinc/89/31/51/606893151.db2.gz IQQWCWYPDPZAFN-MRVPVSSYSA-N -2 3 382.356 0.030 20 0 GCADHL NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822858479 606894568 /nfs/dbraw/zinc/89/45/68/606894568.db2.gz AXNXGCLYPGJJRB-KCJUWKMLSA-N -2 3 386.384 0.467 20 0 GCADHL C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820286259 606895180 /nfs/dbraw/zinc/89/51/80/606895180.db2.gz ACIAVJZDVWWDRK-WCBMZHEXSA-N -2 3 389.384 0.617 20 0 GCADHL O=S(=O)([N-]CCCO[C@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572376 606896204 /nfs/dbraw/zinc/89/62/04/606896204.db2.gz HEOUOVXVNHGJFD-JTQLQIEISA-N -2 3 389.384 0.619 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000820001693 607090744 /nfs/dbraw/zinc/09/07/44/607090744.db2.gz YYTQUMFDEQQOQH-UHFFFAOYSA-N -2 3 392.397 0.658 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CCC(=O)[O-])CC1CC1 ZINC000821700768 607102968 /nfs/dbraw/zinc/10/29/68/607102968.db2.gz WZLSGGXADNFBMI-UHFFFAOYSA-N -2 3 375.385 0.967 20 0 GCADHL O=C(Cn1cnc(-c2nnn[n-]2)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000823487816 607224033 /nfs/dbraw/zinc/22/40/33/607224033.db2.gz HYJHZOOGIYETOG-UHFFFAOYSA-N -2 3 382.384 0.285 20 0 GCADHL O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000823487816 607224034 /nfs/dbraw/zinc/22/40/34/607224034.db2.gz HYJHZOOGIYETOG-UHFFFAOYSA-N -2 3 382.384 0.285 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825523138 607776578 /nfs/dbraw/zinc/77/65/78/607776578.db2.gz NFDAUTVFXZGRRD-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825523138 607776579 /nfs/dbraw/zinc/77/65/79/607776579.db2.gz NFDAUTVFXZGRRD-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450585 607777743 /nfs/dbraw/zinc/77/77/43/607777743.db2.gz SHDHNPJAPPWGIX-UHFFFAOYSA-N -2 3 379.427 0.289 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450585 607777744 /nfs/dbraw/zinc/77/77/44/607777744.db2.gz SHDHNPJAPPWGIX-UHFFFAOYSA-N -2 3 379.427 0.289 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826232728 607792236 /nfs/dbraw/zinc/79/22/36/607792236.db2.gz GDUHDBAAHWERIK-NSHDSACASA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000826232728 607792237 /nfs/dbraw/zinc/79/22/37/607792237.db2.gz GDUHDBAAHWERIK-NSHDSACASA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826232728 607792238 /nfs/dbraw/zinc/79/22/38/607792238.db2.gz GDUHDBAAHWERIK-NSHDSACASA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000826232728 607792239 /nfs/dbraw/zinc/79/22/39/607792239.db2.gz GDUHDBAAHWERIK-NSHDSACASA-N -2 3 398.431 0.436 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825760378 607837625 /nfs/dbraw/zinc/83/76/25/607837625.db2.gz WOPHYLZRLYRWAB-UHFFFAOYSA-N -2 3 389.441 0.844 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825760378 607837626 /nfs/dbraw/zinc/83/76/26/607837626.db2.gz WOPHYLZRLYRWAB-UHFFFAOYSA-N -2 3 389.441 0.844 20 0 GCADHL O=S(=O)([N-]C[C@@]1(CCO)CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490032 608001039 /nfs/dbraw/zinc/00/10/39/608001039.db2.gz IATGFJVXLGCYPH-CQSZACIVSA-N -2 3 389.384 0.212 20 0 GCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461366 608011707 /nfs/dbraw/zinc/01/17/07/608011707.db2.gz RGWVILUPUJYILP-CQSZACIVSA-N -2 3 391.384 0.980 20 0 GCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461366 608011708 /nfs/dbraw/zinc/01/17/08/608011708.db2.gz RGWVILUPUJYILP-CQSZACIVSA-N -2 3 391.384 0.980 20 0 GCADHL C[C@](O)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000824671370 608026447 /nfs/dbraw/zinc/02/64/47/608026447.db2.gz YBNWPYRWMBYQAD-JTQLQIEISA-N -2 3 387.290 0.737 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824173410 608075945 /nfs/dbraw/zinc/07/59/45/608075945.db2.gz YCZMWKXCQSYRMG-NSHDSACASA-N -2 3 395.441 0.507 20 0 GCADHL CN1C(=O)c2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2C1=O ZINC000826017238 608101119 /nfs/dbraw/zinc/10/11/19/608101119.db2.gz IWGLEPIZQNSXNF-UHFFFAOYSA-N -2 3 385.365 0.288 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825484763 608101921 /nfs/dbraw/zinc/10/19/21/608101921.db2.gz ARUAQIOKJLRBSY-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825484763 608101922 /nfs/dbraw/zinc/10/19/22/608101922.db2.gz ARUAQIOKJLRBSY-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL O=S(=O)([N-]Cc1noc(C2CC2)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826492540 608112122 /nfs/dbraw/zinc/11/21/22/608112122.db2.gz PUFYAHSXRHRXKD-UHFFFAOYSA-N -2 3 383.340 0.884 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825759667 608193670 /nfs/dbraw/zinc/19/36/70/608193670.db2.gz MQVCJCUOUFAMPR-UHFFFAOYSA-N -2 3 375.414 0.422 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825759667 608193671 /nfs/dbraw/zinc/19/36/71/608193671.db2.gz MQVCJCUOUFAMPR-UHFFFAOYSA-N -2 3 375.414 0.422 20 0 GCADHL CNC(=O)[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826060744 608240114 /nfs/dbraw/zinc/24/01/14/608240114.db2.gz SCWXIOCEXTZRIW-GZMMTYOYSA-N -2 3 386.384 0.338 20 0 GCADHL O=C1CCc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)c(F)cc2N1 ZINC000826480787 608305942 /nfs/dbraw/zinc/30/59/42/608305942.db2.gz QOSJGVDYVXHLLS-UHFFFAOYSA-N -2 3 378.349 0.414 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1C ZINC000825846141 608394193 /nfs/dbraw/zinc/39/41/93/608394193.db2.gz SQPFIYSQZZFSLF-UHFFFAOYSA-N -2 3 393.404 0.847 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1C ZINC000825846141 608394195 /nfs/dbraw/zinc/39/41/95/608394195.db2.gz SQPFIYSQZZFSLF-UHFFFAOYSA-N -2 3 393.404 0.847 20 0 GCADHL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826222359 608415748 /nfs/dbraw/zinc/41/57/48/608415748.db2.gz ULTQUSFFNRLXQC-UHFFFAOYSA-N -2 3 390.429 0.841 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824377698 608455502 /nfs/dbraw/zinc/45/55/02/608455502.db2.gz LEKACGQQTNSARY-UHFFFAOYSA-N -2 3 375.414 0.692 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824377698 608455504 /nfs/dbraw/zinc/45/55/04/608455504.db2.gz LEKACGQQTNSARY-UHFFFAOYSA-N -2 3 375.414 0.692 20 0 GCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826422190 608478382 /nfs/dbraw/zinc/47/83/82/608478382.db2.gz PPJTZZSFNUXEIR-UHFFFAOYSA-N -2 3 387.377 0.643 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826422190 608478384 /nfs/dbraw/zinc/47/83/84/608478384.db2.gz PPJTZZSFNUXEIR-UHFFFAOYSA-N -2 3 387.377 0.643 20 0 GCADHL O=S(=O)([N-]C[C@H](O)c1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489605 608567589 /nfs/dbraw/zinc/56/75/89/608567589.db2.gz VCOSTFQPODKHIB-LBPRGKRZSA-N -2 3 382.352 0.552 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825658593 608819795 /nfs/dbraw/zinc/81/97/95/608819795.db2.gz HBBGQQVKNDNRIR-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825658593 608819798 /nfs/dbraw/zinc/81/97/98/608819798.db2.gz HBBGQQVKNDNRIR-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000825804476 608821865 /nfs/dbraw/zinc/82/18/65/608821865.db2.gz BSNUASFLHDYCJC-UHFFFAOYSA-N -2 3 375.414 0.439 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825804476 608821868 /nfs/dbraw/zinc/82/18/68/608821868.db2.gz BSNUASFLHDYCJC-UHFFFAOYSA-N -2 3 375.414 0.439 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)nc1C ZINC000825805013 608822402 /nfs/dbraw/zinc/82/24/02/608822402.db2.gz OHPLYHRICUVTIW-UHFFFAOYSA-N -2 3 389.441 0.829 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825805013 608822404 /nfs/dbraw/zinc/82/24/04/608822404.db2.gz OHPLYHRICUVTIW-UHFFFAOYSA-N -2 3 389.441 0.829 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1CSCCS1 ZINC000826449965 609143587 /nfs/dbraw/zinc/14/35/87/609143587.db2.gz QXEAZTOBGRLWLX-LLVKDONJSA-N -2 3 385.496 0.661 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1CSCCS1 ZINC000826449965 609143589 /nfs/dbraw/zinc/14/35/89/609143589.db2.gz QXEAZTOBGRLWLX-LLVKDONJSA-N -2 3 385.496 0.661 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825390769 609149097 /nfs/dbraw/zinc/14/90/97/609149097.db2.gz MDDOBLUNQCELET-UHFFFAOYSA-N -2 3 390.429 0.287 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825390769 609149098 /nfs/dbraw/zinc/14/90/98/609149098.db2.gz MDDOBLUNQCELET-UHFFFAOYSA-N -2 3 390.429 0.287 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824171614 609161087 /nfs/dbraw/zinc/16/10/87/609161087.db2.gz DEROEEWUIHNOQN-ZDUSSCGKSA-N -2 3 395.441 0.649 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826149978 609257325 /nfs/dbraw/zinc/25/73/25/609257325.db2.gz TZONOFQVAFDWIZ-SMDDNHRTSA-N -2 3 394.457 0.316 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000826067536 609258705 /nfs/dbraw/zinc/25/87/05/609258705.db2.gz ILANYGJBNORSDK-UHFFFAOYSA-N -2 3 392.422 0.407 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000826067536 609258707 /nfs/dbraw/zinc/25/87/07/609258707.db2.gz ILANYGJBNORSDK-UHFFFAOYSA-N -2 3 392.422 0.407 20 0 GCADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1n[nH]c(=O)[n-]c1=O ZINC000826458999 609311981 /nfs/dbraw/zinc/31/19/81/609311981.db2.gz QGVCKYMOKQEMTM-UHFFFAOYSA-N -2 3 384.291 0.040 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824747241 609365832 /nfs/dbraw/zinc/36/58/32/609365832.db2.gz ZKZJSESMQKNHEY-GHMZBOCLSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824747241 609365834 /nfs/dbraw/zinc/36/58/34/609365834.db2.gz ZKZJSESMQKNHEY-GHMZBOCLSA-N -2 3 381.414 0.259 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C(=O)[O-] ZINC000826366312 609531098 /nfs/dbraw/zinc/53/10/98/609531098.db2.gz BTKZFIVQICXCBT-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C(=O)[O-] ZINC000826366312 609531100 /nfs/dbraw/zinc/53/11/00/609531100.db2.gz BTKZFIVQICXCBT-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000326727704 638523513 /nfs/dbraw/zinc/52/35/13/638523513.db2.gz DIFIJQCEAGXRGA-UHFFFAOYSA-N -2 3 391.358 0.888 20 0 GCADHL CC(C)Cc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000057124834 639592920 /nfs/dbraw/zinc/59/29/20/639592920.db2.gz NKAAUUIEMIYPPM-ZDUSSCGKSA-N -2 3 389.499 0.565 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCS(=O)(=O)C1 ZINC000057124985 639593767 /nfs/dbraw/zinc/59/37/67/639593767.db2.gz VGCNIJKMXGHHFZ-ZDUSSCGKSA-N -2 3 387.483 0.245 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@H]2CCS(=O)(=O)C2)cc1C ZINC000032589085 639810154 /nfs/dbraw/zinc/81/01/54/639810154.db2.gz SFHDFHDKSYDWER-NSHDSACASA-N -2 3 376.456 0.138 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)c2ncccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000032589104 639810216 /nfs/dbraw/zinc/81/02/16/639810216.db2.gz BJUISUXTBBRGDS-SECBINFHSA-N -2 3 387.414 0.118 20 0 GCADHL COCCCO[N-]C(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1 ZINC000805042801 640432629 /nfs/dbraw/zinc/43/26/29/640432629.db2.gz GPUIEIPIIDGFQQ-UHFFFAOYSA-N -2 3 375.447 0.967 20 0 GCADHL Cc1ncoc1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000755743480 640474576 /nfs/dbraw/zinc/47/45/76/640474576.db2.gz GUAPNZXTMHEXRQ-UHFFFAOYSA-N -2 3 377.375 0.612 20 0 GCADHL CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cn1 ZINC000772760444 640849233 /nfs/dbraw/zinc/84/92/33/640849233.db2.gz VLGOKKSAIGWFTB-UHFFFAOYSA-N -2 3 390.418 0.532 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000774895842 640898873 /nfs/dbraw/zinc/89/88/73/640898873.db2.gz WYXPZXYLKUJXLW-UHFFFAOYSA-N -2 3 387.336 0.182 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000776449223 641096548 /nfs/dbraw/zinc/09/65/48/641096548.db2.gz UZLXDXCLEOGOHI-MRVPVSSYSA-N -2 3 386.195 0.711 20 0 GCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776549781 641101665 /nfs/dbraw/zinc/10/16/65/641101665.db2.gz HDDFJYGCHPBODA-SSDOTTSWSA-N -2 3 394.789 0.206 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776589911 641105578 /nfs/dbraw/zinc/10/55/78/641105578.db2.gz QKJONTPITBPUTC-SECBINFHSA-N -2 3 379.337 0.852 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776624645 641107528 /nfs/dbraw/zinc/10/75/28/641107528.db2.gz DEANXIZJMUZWAB-MRVPVSSYSA-N -2 3 386.195 0.975 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c1F ZINC000780290096 641207060 /nfs/dbraw/zinc/20/70/60/641207060.db2.gz VSCGFKXTVMDHND-AWEZNQCLSA-N -2 3 381.353 0.503 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CCCCC(=O)[O-])cc1F ZINC000863956173 641254052 /nfs/dbraw/zinc/25/40/52/641254052.db2.gz JXYZVXUSRZSZOL-UHFFFAOYSA-N -3 3 396.418 0.647 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CO1 ZINC000784523898 641288750 /nfs/dbraw/zinc/28/87/50/641288750.db2.gz BWUOCAKNCAOAEC-DTWKUNHWSA-N -2 3 380.419 0.427 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCSC2)cc1F ZINC000784896139 641297062 /nfs/dbraw/zinc/29/70/62/641297062.db2.gz IQGLCOCIEURMGZ-QMMMGPOBSA-N -2 3 382.460 0.755 20 0 GCADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)COC1 ZINC000784897846 641297193 /nfs/dbraw/zinc/29/71/93/641297193.db2.gz RYXPEPWFYPXRLT-UHFFFAOYSA-N -2 3 380.419 0.429 20 0 GCADHL CC(C)(C)OCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898552 641298100 /nfs/dbraw/zinc/29/81/00/641298100.db2.gz YWKKNYCBURSJJJ-UHFFFAOYSA-N -2 3 382.435 0.817 20 0 GCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c(C)c1Cl ZINC000788442558 641369140 /nfs/dbraw/zinc/36/91/40/641369140.db2.gz OUSBPSDMFAVDTE-LURJTMIESA-N -3 3 399.830 0.950 20 0 GCADHL Nc1nc(Cl)cc(=N[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)[nH]1 ZINC000790398941 641413242 /nfs/dbraw/zinc/41/32/42/641413242.db2.gz WQQZBYNIAQOCFD-UHFFFAOYSA-N -2 3 379.732 0.994 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000794762979 641496871 /nfs/dbraw/zinc/49/68/71/641496871.db2.gz TZZMUJFZYSMKME-GWCFXTLKSA-N -2 3 375.374 0.770 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3cccnc23)C(=O)[O-])nc1Cl ZINC000799744620 641612022 /nfs/dbraw/zinc/61/20/22/641612022.db2.gz ODDLTMCQCBGKJY-JTQLQIEISA-N -2 3 383.817 0.924 20 0 GCADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000819890811 641943244 /nfs/dbraw/zinc/94/32/44/641943244.db2.gz HSELMLYMCQQSJL-UHFFFAOYSA-N -2 3 391.450 0.596 20 0 GCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000820725084 641966472 /nfs/dbraw/zinc/96/64/72/641966472.db2.gz DGOIKVHMWUPRDK-XMMPIXPASA-N -2 3 383.451 0.451 20 0 GCADHL O=C1NCCc2ccc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc21 ZINC000823546272 642028192 /nfs/dbraw/zinc/02/81/92/642028192.db2.gz BBUZWMJRJQKGMA-UHFFFAOYSA-N -2 3 377.411 0.410 20 0 GCADHL NC(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000833083241 642204497 /nfs/dbraw/zinc/20/44/97/642204497.db2.gz ZLBVVHJKPCCYOD-PHDIDXHHSA-N -2 3 397.203 0.052 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c(Cl)cc1Cl ZINC000841782728 642319541 /nfs/dbraw/zinc/31/95/41/642319541.db2.gz AFBHRCFQPDJTNJ-LBPRGKRZSA-N -2 3 386.209 0.894 20 0 GCADHL COC/C(C)=C\C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000845494094 642443085 /nfs/dbraw/zinc/44/30/85/642443085.db2.gz ODFLYMQKHGCDTB-TWGQIWQCSA-N -2 3 380.419 0.595 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848675677 642549193 /nfs/dbraw/zinc/54/91/93/642549193.db2.gz HCPWNZFXEKTQGG-VIFPVBQESA-N -2 3 377.346 0.215 20 0 GCADHL O=C(NCCN1c2ccccc2[N-]S1(=O)=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000473249277 1192645288 /nfs/dbraw/zinc/64/52/88/1192645288.db2.gz HGNHSVCTTKXZHC-UHFFFAOYSA-N -2 3 386.389 0.477 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000275259327 1184568538 /nfs/dbraw/zinc/56/85/38/1184568538.db2.gz LYMGTVXAQJTAEB-LBPRGKRZSA-N -2 3 385.373 0.320 20 0 GCADHL Cc1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(-n3nnnc3C)c2)on1 ZINC000547938906 1184784610 /nfs/dbraw/zinc/78/46/10/1184784610.db2.gz OQKGPUZLHZPCQF-UHFFFAOYSA-N -2 3 378.370 0.907 20 0 GCADHL CC(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000656008366 1184935307 /nfs/dbraw/zinc/93/53/07/1184935307.db2.gz UIODHPBFSQMAEP-OAHLLOKOSA-N -2 3 391.424 0.150 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548210341 1185885705 /nfs/dbraw/zinc/88/57/05/1185885705.db2.gz KNTKEQVOBSWNEF-LBPRGKRZSA-N -2 3 399.400 0.857 20 0 GCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NCCC(N)=O)cc2)c1 ZINC000431169056 1186151324 /nfs/dbraw/zinc/15/13/24/1186151324.db2.gz KVQVELXAYGEJKL-UHFFFAOYSA-N -2 3 393.421 0.807 20 0 GCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000278114407 1186788713 /nfs/dbraw/zinc/78/87/13/1186788713.db2.gz LDUYFFNTAGFIBJ-JTQLQIEISA-N -2 3 391.373 0.687 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659199857 1187911231 /nfs/dbraw/zinc/91/12/31/1187911231.db2.gz HVTCMRPMPCYYFB-VIFPVBQESA-N -2 3 399.429 0.613 20 0 GCADHL CN(C)c1nc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc(=O)[n-]1 ZINC000549265761 1188070246 /nfs/dbraw/zinc/07/02/46/1188070246.db2.gz JSDFTSBWWSUJAO-UHFFFAOYSA-N -2 3 393.425 0.647 20 0 GCADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OCC)cc(F)c1OC)C(=O)[O-] ZINC000584753762 1189651776 /nfs/dbraw/zinc/65/17/76/1189651776.db2.gz XZOVMRYTWDRVKJ-LLVKDONJSA-N -2 3 393.389 0.779 20 0 GCADHL Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000505432525 1194851301 /nfs/dbraw/zinc/85/13/01/1194851301.db2.gz JPDCCGVVLWGQSH-AWEZNQCLSA-N -2 3 392.375 0.954 20 0 GCADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cccc1-n1cnnn1 ZINC000518807619 1195333624 /nfs/dbraw/zinc/33/36/24/1195333624.db2.gz MSRHPEPAFUNTEN-UHFFFAOYSA-N -2 3 384.377 0.655 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000439714194 1195343218 /nfs/dbraw/zinc/34/32/18/1195343218.db2.gz BHOBOYHXDNPGLQ-SECBINFHSA-N -2 3 399.429 0.613 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000614758883 1196461513 /nfs/dbraw/zinc/46/15/13/1196461513.db2.gz SZCZILNBQIWZRO-ONGXEEELSA-N -2 3 398.445 0.536 20 0 GCADHL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCc3c(C)[n-][nH]c3=O)cc2)[n-]1 ZINC000523694473 1196549667 /nfs/dbraw/zinc/54/96/67/1196549667.db2.gz WFDKOTLRWBNTEU-OAHLLOKOSA-N -2 3 399.407 0.123 20 0 GCADHL O=C(NCCc1nc(=O)o[n-]1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000447635898 1196735500 /nfs/dbraw/zinc/73/55/00/1196735500.db2.gz DPXWEXCWDLJJRJ-UHFFFAOYSA-N -2 3 395.372 0.603 20 0 GCADHL COC[C@@H](NC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)[O-] ZINC000262795452 1197163557 /nfs/dbraw/zinc/16/35/57/1197163557.db2.gz AASJZZDWIUETGH-LLVKDONJSA-N -2 3 389.430 0.098 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262406268 1197530686 /nfs/dbraw/zinc/53/06/86/1197530686.db2.gz IJDDIUGJULQFTL-JQWIXIFHSA-N -2 3 385.442 0.672 20 0 GCADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1=O ZINC000769837385 1202075194 /nfs/dbraw/zinc/07/51/94/1202075194.db2.gz ZFGFGTOMWLGJSU-HNNXBMFYSA-N -2 3 386.430 0.722 20 0 GCADHL CNS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1[O-] ZINC000807385097 1205580485 /nfs/dbraw/zinc/58/04/85/1205580485.db2.gz LFPJHHITCHWTGK-UHFFFAOYSA-N -2 3 375.362 0.436 20 0 GCADHL Cc1cc(=O)[n-]c(N2CC[C@@H](NC(=O)c3cccc(-c4nc(=O)o[n-]4)c3)C2)n1 ZINC001177890794 1205778829 /nfs/dbraw/zinc/77/88/29/1205778829.db2.gz XAAUGBFCDGWBCS-CYBMUJFWSA-N -2 3 382.380 0.843 20 0 GCADHL CS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001185605557 1205925504 /nfs/dbraw/zinc/92/55/04/1205925504.db2.gz ZBWPVSWZTHHETD-UHFFFAOYSA-N -2 3 395.422 0.777 20 0 GCADHL CS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001185605557 1205925506 /nfs/dbraw/zinc/92/55/06/1205925506.db2.gz ZBWPVSWZTHHETD-UHFFFAOYSA-N -2 3 395.422 0.777 20 0 GCADHL CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001187312818 1205960790 /nfs/dbraw/zinc/96/07/90/1205960790.db2.gz BWBJIWBWWAKZHJ-GFCCVEGCSA-N -2 3 379.394 0.612 20 0 GCADHL CCOC(=O)c1[n-]cnc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191008495 1206052460 /nfs/dbraw/zinc/05/24/60/1206052460.db2.gz XMIBNZAKCTXUAE-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL CCOC(=O)c1nc[n-]c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1[O-] ZINC001191008495 1206052463 /nfs/dbraw/zinc/05/24/63/1206052463.db2.gz XMIBNZAKCTXUAE-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccnn2C)ccc1F ZINC000843339285 939231021 /nfs/dbraw/zinc/23/10/21/939231021.db2.gz ZTDXSOKQGQLKGV-CQSZACIVSA-N -2 3 398.416 0.802 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)cc1OC ZINC000555852111 939306751 /nfs/dbraw/zinc/30/67/51/939306751.db2.gz YVTBXVWLDQPOEV-HNNXBMFYSA-N -2 3 387.414 0.822 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1cnccn1 ZINC000820001237 945325380 /nfs/dbraw/zinc/32/53/80/945325380.db2.gz GIJYKKHEJYGSRR-UHFFFAOYSA-N -2 3 389.397 0.319 20 0 GCADHL CNC(=O)CC[C@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571260683 945423553 /nfs/dbraw/zinc/42/35/53/945423553.db2.gz ZFSTUPACNBXSCY-GFCCVEGCSA-N -2 3 385.432 0.496 20 0 GCADHL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491560 946103945 /nfs/dbraw/zinc/10/39/45/946103945.db2.gz DQPCCSNCQAPRTH-UHFFFAOYSA-N -2 3 391.413 0.101 20 0 GCADHL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491560 946103951 /nfs/dbraw/zinc/10/39/51/946103951.db2.gz DQPCCSNCQAPRTH-UHFFFAOYSA-N -2 3 391.413 0.101 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1 ZINC000822527862 946113782 /nfs/dbraw/zinc/11/37/82/946113782.db2.gz HKXIPKAUWMAOMT-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1 ZINC000822527862 946113789 /nfs/dbraw/zinc/11/37/89/946113789.db2.gz HKXIPKAUWMAOMT-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823994880 946535046 /nfs/dbraw/zinc/53/50/46/946535046.db2.gz QXLQWIKHVWBURU-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823994880 946535057 /nfs/dbraw/zinc/53/50/57/946535057.db2.gz QXLQWIKHVWBURU-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000823993836 946536204 /nfs/dbraw/zinc/53/62/04/946536204.db2.gz AAZOQERBEZNDRQ-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000823993836 946536214 /nfs/dbraw/zinc/53/62/14/946536214.db2.gz AAZOQERBEZNDRQ-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC000825668659 947284247 /nfs/dbraw/zinc/28/42/47/947284247.db2.gz IHTPPVXDCVLDNJ-UHFFFAOYSA-N -2 3 397.442 0.493 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825759366 947320793 /nfs/dbraw/zinc/32/07/93/947320793.db2.gz DMLUJSZJLBVCQS-UHFFFAOYSA-N -2 3 378.418 0.172 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825759366 947320806 /nfs/dbraw/zinc/32/08/06/947320806.db2.gz DMLUJSZJLBVCQS-UHFFFAOYSA-N -2 3 378.418 0.172 20 0 GCADHL COC[C@](C)(CC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000826148782 947476242 /nfs/dbraw/zinc/47/62/42/947476242.db2.gz QVTZGMBXEJZKPM-INIZCTEOSA-N -2 3 379.373 0.250 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000826174925 947543261 /nfs/dbraw/zinc/54/32/61/947543261.db2.gz NMKUKUKZSANTPV-UHFFFAOYSA-N -2 3 393.425 0.721 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260361 947753328 /nfs/dbraw/zinc/75/33/28/947753328.db2.gz KNIBFAQEYHRBSN-UHFFFAOYSA-N -2 3 393.404 0.780 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CCCF)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260361 947753336 /nfs/dbraw/zinc/75/33/36/947753336.db2.gz KNIBFAQEYHRBSN-UHFFFAOYSA-N -2 3 393.404 0.780 20 0 GCADHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc2[nH]c1=O ZINC000826501166 948416639 /nfs/dbraw/zinc/41/66/39/948416639.db2.gz CPCBJGDVFUBEQG-UHFFFAOYSA-N -2 3 385.365 0.197 20 0 GCADHL CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575854399 949231918 /nfs/dbraw/zinc/23/19/18/949231918.db2.gz UKTZNNZMEBFSTI-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575854399 949231940 /nfs/dbraw/zinc/23/19/40/949231940.db2.gz UKTZNNZMEBFSTI-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC001575867455 949438471 /nfs/dbraw/zinc/43/84/71/949438471.db2.gz YQCXZMFMYUBXRZ-GFCCVEGCSA-N -2 3 386.416 0.145 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001575867455 949438484 /nfs/dbraw/zinc/43/84/84/949438484.db2.gz YQCXZMFMYUBXRZ-GFCCVEGCSA-N -2 3 386.416 0.145 20 0 GCADHL CC(C)(C)[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001573820300 949762622 /nfs/dbraw/zinc/76/26/22/949762622.db2.gz XEZIDKNXVOMJTJ-NSHDSACASA-N -2 3 383.416 0.436 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900692 950205320 /nfs/dbraw/zinc/20/53/20/950205320.db2.gz HLYZKYKWEOFQDV-MWLCHTKSSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900692 950205339 /nfs/dbraw/zinc/20/53/39/950205339.db2.gz HLYZKYKWEOFQDV-MWLCHTKSSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901017 950210198 /nfs/dbraw/zinc/21/01/98/950210198.db2.gz JXOFXIJWWVHZNH-WDEREUQCSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901017 950210216 /nfs/dbraw/zinc/21/02/16/950210216.db2.gz JXOFXIJWWVHZNH-WDEREUQCSA-N -2 3 381.400 0.545 20 0 GCADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001591280453 951129215 /nfs/dbraw/zinc/12/92/15/951129215.db2.gz SEIHIJKQAFMIPW-UTUOFQBUSA-N -2 3 380.401 0.915 20 0 GCADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001591280455 951129405 /nfs/dbraw/zinc/12/94/05/951129405.db2.gz SEIHIJKQAFMIPW-WOPDTQHZSA-N -2 3 380.401 0.915 20 0 GCADHL O=C([O-])CN1CCCC[C@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1=O ZINC001595096012 951814724 /nfs/dbraw/zinc/81/47/24/951814724.db2.gz CMVKUSCYACIWOT-NSHDSACASA-N -2 3 380.344 0.848 20 0 GCADHL Cn1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC001571115472 952466732 /nfs/dbraw/zinc/46/67/32/952466732.db2.gz WCSBSYQZIXNVSK-UHFFFAOYSA-N -2 3 375.296 0.210 20 0 GCADHL Cn1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC001571115472 952466735 /nfs/dbraw/zinc/46/67/35/952466735.db2.gz WCSBSYQZIXNVSK-UHFFFAOYSA-N -2 3 375.296 0.210 20 0 GCADHL CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(-c2nnn[n-]2)c1Br ZINC001571154185 952689134 /nfs/dbraw/zinc/68/91/34/952689134.db2.gz ZCHKZYQSTKALOM-UHFFFAOYSA-N -2 3 380.162 0.578 20 0 GCADHL CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(-c2nn[n-]n2)c1Br ZINC001571154185 952689135 /nfs/dbraw/zinc/68/91/35/952689135.db2.gz ZCHKZYQSTKALOM-UHFFFAOYSA-N -2 3 380.162 0.578 20 0 GCADHL O=C(c1ccccc1[O-])N1CCCC[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001571160808 952728467 /nfs/dbraw/zinc/72/84/67/952728467.db2.gz MFRUMTRTVMVNNU-LBPRGKRZSA-N -2 3 380.412 0.891 20 0 GCADHL C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571171045 952790484 /nfs/dbraw/zinc/79/04/84/952790484.db2.gz MLUCFEBIIUUYNS-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571171045 952790492 /nfs/dbraw/zinc/79/04/92/952790492.db2.gz MLUCFEBIIUUYNS-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nnn[n-]2)nn1 ZINC001571174694 952812923 /nfs/dbraw/zinc/81/29/23/952812923.db2.gz FINBMTIEVPRUSY-NSHDSACASA-N -2 3 381.400 0.498 20 0 GCADHL CN(C[C@@H]1CCCN1C(=O)c1ncccc1[O-])c1ccc(-c2nn[n-]n2)nn1 ZINC001571174694 952812930 /nfs/dbraw/zinc/81/29/30/952812930.db2.gz FINBMTIEVPRUSY-NSHDSACASA-N -2 3 381.400 0.498 20 0 GCADHL O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[n-]n2)n1)c1ncccc1[O-] ZINC001571175909 952826778 /nfs/dbraw/zinc/82/67/78/952826778.db2.gz HNNSVWMUDNSETO-NSHDSACASA-N -2 3 381.400 0.546 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1[O-] ZINC001571239833 953243707 /nfs/dbraw/zinc/24/37/07/953243707.db2.gz ZGNPZDPMCWBQMB-SNVBAGLBSA-N -2 3 384.404 0.183 20 0 GCADHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000473459690 953523112 /nfs/dbraw/zinc/52/31/12/953523112.db2.gz IJPBASPKQSLRBQ-ZIAGYGMSSA-N -2 3 379.394 0.521 20 0 GCADHL O=C([O-])C1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC001594861508 954278662 /nfs/dbraw/zinc/27/86/62/954278662.db2.gz UZRVVATZMGGRKU-UHFFFAOYSA-N -2 3 392.380 0.241 20 0 GCADHL O=C([O-])CC1(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CCOCC1 ZINC000663087360 954468176 /nfs/dbraw/zinc/46/81/76/954468176.db2.gz YEUBJETVOFMNOE-UHFFFAOYSA-N -2 3 376.409 0.948 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001594888466 954488549 /nfs/dbraw/zinc/48/85/49/954488549.db2.gz DSCLIWJLFSQFQB-UISBYWKRSA-N -2 3 388.346 0.637 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001594888466 954488556 /nfs/dbraw/zinc/48/85/56/954488556.db2.gz DSCLIWJLFSQFQB-UISBYWKRSA-N -2 3 388.346 0.637 20 0 GCADHL COC(=O)[C@@](C)(Cc1ccc(F)cc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593804288 954882112 /nfs/dbraw/zinc/88/21/12/954882112.db2.gz PWFLZUWSQWNABG-XJKSGUPXSA-N -2 3 388.417 0.683 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776520608 955328590 /nfs/dbraw/zinc/32/85/90/955328590.db2.gz CCJVSDOAOCNOBR-QMMMGPOBSA-N -2 3 395.336 0.436 20 0 GCADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001594510264 955380628 /nfs/dbraw/zinc/38/06/28/955380628.db2.gz LMXLIMJGXADFMH-QGZVFWFLSA-N -2 3 375.337 0.914 20 0 GCADHL COC(=O)CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001593846597 955423579 /nfs/dbraw/zinc/42/35/79/955423579.db2.gz WCAHAUAJPXDUKE-ZETCQYMHSA-N -2 3 398.846 0.202 20 0 GCADHL O=C([O-])Cn1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cn1 ZINC000843332916 955635790 /nfs/dbraw/zinc/63/57/90/955635790.db2.gz BWENRSRCFRDIQQ-UHFFFAOYSA-N -2 3 382.373 0.800 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c(Br)n1 ZINC001594549817 955717048 /nfs/dbraw/zinc/71/70/48/955717048.db2.gz VMSYWMBKAJQEOU-VIFPVBQESA-N -2 3 389.231 0.552 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)c(Cl)c1 ZINC001594169175 958969365 /nfs/dbraw/zinc/96/93/65/958969365.db2.gz AFTIBPJDJHQWPF-UHFFFAOYSA-N -2 3 389.817 0.081 20 0 GCADHL CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000228925376 960047126 /nfs/dbraw/zinc/04/71/26/960047126.db2.gz FTLQGQIWIIJFFL-LURJTMIESA-N -2 3 383.220 0.932 20 0 GCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)c1F ZINC000392794784 972523646 /nfs/dbraw/zinc/52/36/46/972523646.db2.gz RDZMMEMLOZQTAJ-UHFFFAOYSA-N -2 3 394.808 0.705 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001574531422 961897509 /nfs/dbraw/zinc/89/75/09/961897509.db2.gz IHROFGJGNAEORY-LJGSYFOKSA-N -2 3 397.272 0.768 20 0 GCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001574668748 962537601 /nfs/dbraw/zinc/53/76/01/962537601.db2.gz INJJGVBKXNEURG-SNVBAGLBSA-N -2 3 377.378 0.765 20 0 GCADHL CC(C)(C)n1nnc(CCN2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852733095 969287955 /nfs/dbraw/zinc/28/79/55/969287955.db2.gz MAXLMKZHEYMWSH-MWLCHTKSSA-N -2 3 392.382 0.567 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(C)o1 ZINC001604248573 972771587 /nfs/dbraw/zinc/77/15/87/972771587.db2.gz GXQVSWNJWGZBNV-ZDUSSCGKSA-N -2 3 382.394 0.627 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c(Br)o1 ZINC000403125388 973661479 /nfs/dbraw/zinc/66/14/79/973661479.db2.gz OOWFPTBYTHQWCH-NSHDSACASA-N -2 3 384.204 0.560 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])cc1F ZINC000417470658 973954505 /nfs/dbraw/zinc/95/45/05/973954505.db2.gz FHDQHJXMRPASTD-NSHDSACASA-N -2 3 398.459 0.388 20 0 GCADHL COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000547875125 974443952 /nfs/dbraw/zinc/44/39/52/974443952.db2.gz XQBDYLDPFXVGEP-VIFPVBQESA-N -2 3 395.336 0.647 20 0 GCADHL C[C@@H](CC(=O)N1CC(C)(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592227089 977422673 /nfs/dbraw/zinc/42/26/73/977422673.db2.gz LMQLAWHOOVPSDD-VIFPVBQESA-N -2 3 375.834 0.725 20 0 GCADHL O=C([O-])CCc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000739753653 978653360 /nfs/dbraw/zinc/65/33/60/978653360.db2.gz WOXQWDSXMQLDIB-UHFFFAOYSA-N -2 3 399.403 0.894 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1F ZINC000761398268 978710150 /nfs/dbraw/zinc/71/01/50/978710150.db2.gz BNFCMTJQNSKDLN-UHFFFAOYSA-N -2 3 390.324 0.020 20 0 GCADHL C[C@@](CO)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(=O)[O-] ZINC001592728239 979235176 /nfs/dbraw/zinc/23/51/76/979235176.db2.gz DYEYJDUQEFAFJC-ZDUSSCGKSA-N -3 3 383.781 0.929 20 0 GCADHL C[C@](CO)(NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC001592742900 979281865 /nfs/dbraw/zinc/28/18/65/979281865.db2.gz SUSVOYUKYNCKLH-CYBMUJFWSA-N -2 3 399.252 0.614 20 0 GCADHL C[C@H](Cn1ncc2ccccc2c1=O)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001592929562 979957273 /nfs/dbraw/zinc/95/72/73/979957273.db2.gz JJOBSQPODYBLLG-SECBINFHSA-N -2 3 394.434 0.918 20 0 GCADHL CC[C@H](C)[C@H](NC(=O)CN1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001594889417 982281848 /nfs/dbraw/zinc/28/18/48/982281848.db2.gz DFBLIYJBNWWUJR-LOWVWBTDSA-N -2 3 381.395 0.992 20 0 GCADHL CCOC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596527514 984343903 /nfs/dbraw/zinc/34/39/03/984343903.db2.gz IHXRPKAXDKGKMI-OLZOCXBDSA-N -2 3 378.447 0.118 20 0 GCADHL CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596527879 984347365 /nfs/dbraw/zinc/34/73/65/984347365.db2.gz QELKDXPQDOOGAW-SNVBAGLBSA-N -2 3 375.403 0.277 20 0 GCADHL CCOC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001596528481 984350305 /nfs/dbraw/zinc/35/03/05/984350305.db2.gz UWJVRUFWLGOYTC-UWVGGRQHSA-N -2 3 375.403 0.195 20 0 GCADHL CCOC(=O)C(F)(F)[C@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)C1CC1 ZINC001596535498 984369586 /nfs/dbraw/zinc/36/95/86/984369586.db2.gz KWPVPFIUXQSESF-LLVKDONJSA-N -2 3 381.357 0.223 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCOC1 ZINC001596541456 984381835 /nfs/dbraw/zinc/38/18/35/984381835.db2.gz CDNCYJXUSPTMGL-BDAKNGLRSA-N -2 3 378.428 0.478 20 0 GCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCOCC1 ZINC001596542235 984385100 /nfs/dbraw/zinc/38/51/00/984385100.db2.gz HSVJKFSADXEFTA-SECBINFHSA-N -2 3 378.428 0.478 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCOCC1 ZINC001596542928 984389897 /nfs/dbraw/zinc/38/98/97/984389897.db2.gz KJSSFBOLTWGVAV-LBPRGKRZSA-N -2 3 375.399 0.923 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)N[C@@H](C)C(=O)[O-] ZINC001599900594 984817473 /nfs/dbraw/zinc/81/74/73/984817473.db2.gz ZNPWZAYYEBFWTO-WDSKDSINSA-N -2 3 385.261 0.767 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCOCC1 ZINC001596696917 984849094 /nfs/dbraw/zinc/84/90/94/984849094.db2.gz XPAXYMONOBNJAJ-UHFFFAOYSA-N -2 3 389.430 0.445 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)OC)c(F)c1 ZINC001596725968 984981049 /nfs/dbraw/zinc/98/10/49/984981049.db2.gz DMEKAJYJQIOCOE-LLVKDONJSA-N -2 3 391.373 0.687 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccn(C)n2)c(F)c1 ZINC001596726279 984981543 /nfs/dbraw/zinc/98/15/43/984981543.db2.gz 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3 386.249 0.416 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC001593325781 994868373 /nfs/dbraw/zinc/86/83/73/994868373.db2.gz LLWAECXWKVJCIC-UWVGGRQHSA-N -2 3 378.410 0.753 20 0 GCADHL COc1cccc(N2CC[C@@H]([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])C2)c1 ZINC001599679652 994958705 /nfs/dbraw/zinc/95/87/05/994958705.db2.gz ZJZNSSKKHZHXMB-LLVKDONJSA-N -2 3 380.426 0.982 20 0 GCADHL COC(=O)[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])Cc1cccc(C)c1 ZINC001598703525 995256313 /nfs/dbraw/zinc/25/63/13/995256313.db2.gz QYGKAUCTNJKULP-GFCCVEGCSA-N -2 3 381.410 0.727 20 0 GCADHL COC(=O)[C@@]1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCOC1 ZINC001598726302 995522622 /nfs/dbraw/zinc/52/26/22/995522622.db2.gz BUHPJSGRLNTVGB-CQSZACIVSA-N -2 3 379.337 0.521 20 0 GCADHL COC(=O)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001598865748 996704966 /nfs/dbraw/zinc/70/49/66/996704966.db2.gz KAPHDJHTVOZFPE-UHFFFAOYSA-N -2 3 386.176 0.208 20 0 GCADHL 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ZINC001598928512 997697154 /nfs/dbraw/zinc/69/71/54/997697154.db2.gz DFVXQEMGODOHIA-OAHLLOKOSA-N -2 3 375.374 0.690 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)[O-])c1 ZINC001598929358 997713966 /nfs/dbraw/zinc/71/39/66/997713966.db2.gz YAMAPXAIDNBSLS-JTQLQIEISA-N -2 3 391.373 0.415 20 0 GCADHL COc1cc2[n-]cc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)[O-])c(=O)c2c(OC)c1 ZINC001599448952 998058666 /nfs/dbraw/zinc/05/86/66/998058666.db2.gz MAEFDMYGUHLVSI-ZDUSSCGKSA-N -2 3 386.364 0.694 20 0 GCADHL COc1cc(OC)cc(OCCC[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])c1 ZINC001599453219 998142260 /nfs/dbraw/zinc/14/22/60/998142260.db2.gz GUXCBQAZGLLMSP-UHFFFAOYSA-N -2 3 385.398 0.873 20 0 GCADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)C(=O)OC ZINC001598970354 998502925 /nfs/dbraw/zinc/50/29/25/998502925.db2.gz KCPLFBPOCHSCIK-UHFFFAOYSA-N -2 3 381.309 0.258 20 0 GCADHL COC[C@H](CS(=O)(=O)[N-][C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O)OC ZINC001599164058 998509497 /nfs/dbraw/zinc/50/94/97/998509497.db2.gz AQOJZCGESDSIHN-OCCSQVGLSA-N -2 3 386.426 0.219 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(=O)[O-])c(F)c1 ZINC001598989089 998720398 /nfs/dbraw/zinc/72/03/98/998720398.db2.gz UGAPBWANKHWBLZ-PWSUYJOCSA-N -2 3 375.374 0.913 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC001599015918 998937889 /nfs/dbraw/zinc/93/78/89/998937889.db2.gz UQANLHYCQGVJMQ-UHFFFAOYSA-N -2 3 392.817 0.824 20 0 GCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F ZINC001599018502 998959327 /nfs/dbraw/zinc/95/93/27/998959327.db2.gz KNPOHUHTCFHIIT-SNVBAGLBSA-N -2 3 391.345 0.825 20 0 GCADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(C(=O)[O-])c1C ZINC001599022176 998989282 /nfs/dbraw/zinc/98/92/82/998989282.db2.gz CFSKZNUXNPDAQW-LURJTMIESA-N -3 3 383.375 0.632 20 0 GCADHL CO[C@H](CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O)C1CC1 ZINC001599058385 999247504 /nfs/dbraw/zinc/24/75/04/999247504.db2.gz XSBHCPMIXJVJPI-NWDGAFQWSA-N -2 3 388.467 0.896 20 0 GCADHL C[C@](CO)(Cc1ccccc1F)NCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001589881297 1126215667 /nfs/dbraw/zinc/21/56/67/1126215667.db2.gz JMMXHGQNHUFCAK-GOSISDBHSA-N -2 3 398.402 0.837 20 0 GCADHL CO[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(=O)[O-] ZINC000530435758 530117022 /nfs/dbraw/zinc/11/70/22/530117022.db2.gz NDFBBKSRDQOMRP-SECBINFHSA-N -2 3 376.818 0.993 20 0 GCADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)ccc1C(=O)[O-] ZINC000530473100 530119896 /nfs/dbraw/zinc/11/98/96/530119896.db2.gz HINPKXPHGHTXCK-UHFFFAOYSA-N -2 3 385.423 0.365 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCc1nc(CC(=O)[O-])cs1 ZINC000571470390 530121241 /nfs/dbraw/zinc/12/12/41/530121241.db2.gz KHJXHVHXBGJWAA-UHFFFAOYSA-N -2 3 391.452 0.534 20 0 GCADHL CC[C@H](C)[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000261637612 530128714 /nfs/dbraw/zinc/12/87/14/530128714.db2.gz FTKYQNNZYYIBRV-UFBFGSQYSA-N -2 3 382.435 0.975 20 0 GCADHL COC[C@@]1(C(=O)[O-])CCCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000262799539 530137633 /nfs/dbraw/zinc/13/76/33/530137633.db2.gz CNBPMRGXOHIKKJ-CQSZACIVSA-N -2 3 376.456 0.366 20 0 GCADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000037417970 530142942 /nfs/dbraw/zinc/14/29/42/530142942.db2.gz RZBNXLBNVGYIGO-SSDOTTSWSA-N -2 3 388.623 0.835 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)cn1 ZINC000530530277 530143571 /nfs/dbraw/zinc/14/35/71/530143571.db2.gz CWARICFDDSAKJV-CYBMUJFWSA-N -2 3 388.398 0.728 20 0 GCADHL COc1cc([N-]S(=O)(=O)N2CCC[C@@H]2C)c(C(=O)[O-])cc1S(C)(=O)=O ZINC000414419568 530190496 /nfs/dbraw/zinc/19/04/96/530190496.db2.gz ZZVCBRVUTZLZSN-VIFPVBQESA-N -2 3 392.455 0.938 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000564839976 530194541 /nfs/dbraw/zinc/19/45/41/530194541.db2.gz NNRNQNOQXBAJDL-UHFFFAOYSA-N -2 3 380.419 0.825 20 0 GCADHL O=S(=O)([N-]C1CCN(S(=O)(=O)c2ncc[n-]2)CC1)c1cccs1 ZINC000647894707 530201597 /nfs/dbraw/zinc/20/15/97/530201597.db2.gz RHRDVTXFSFCDJJ-UHFFFAOYSA-N -2 3 376.485 0.603 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)OC)o2)s1 ZINC000264624589 530163304 /nfs/dbraw/zinc/16/33/04/530163304.db2.gz SHNBQQVFXBZJRS-UHFFFAOYSA-N -2 3 394.452 0.514 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1OC ZINC000556703331 530187018 /nfs/dbraw/zinc/18/70/18/530187018.db2.gz WURMDUBLDSLZRH-UHFFFAOYSA-N -2 3 376.818 0.851 20 0 GCADHL Cn1cc([C@H]([N-]S(=O)(=O)c2cncc(Br)c2)C(=O)[O-])cn1 ZINC000130815106 530228004 /nfs/dbraw/zinc/22/80/04/530228004.db2.gz BVSKUHXSZUBEID-JTQLQIEISA-N -2 3 375.204 0.682 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2NS(C)(=O)=O)cc1C(=O)[O-] ZINC000569453151 530235366 /nfs/dbraw/zinc/23/53/66/530235366.db2.gz SJQMOUODKHYJSD-WDEREUQCSA-N -2 3 380.444 0.425 20 0 GCADHL COCCn1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000269306401 530237676 /nfs/dbraw/zinc/23/76/76/530237676.db2.gz ANGLEORYPBHMKY-UHFFFAOYSA-N -2 3 392.434 0.841 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000647232960 530247014 /nfs/dbraw/zinc/24/70/14/530247014.db2.gz KQDGGTMDWIGBIK-IUODEOHRSA-N -2 3 376.406 0.080 20 0 GCADHL CO[C@@H](C)c1nc(=NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)s[n-]1 ZINC000559055933 530221756 /nfs/dbraw/zinc/22/17/56/530221756.db2.gz GFOONFSRQIXXAB-YFKPBYRVSA-N -2 3 390.219 0.331 20 0 GCADHL CN1CC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1=O ZINC000273655242 530290073 /nfs/dbraw/zinc/29/00/73/530290073.db2.gz HCDOWKBYACWBNO-ZCFIWIBFSA-N -2 3 383.245 0.718 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-] ZINC000562301464 530290842 /nfs/dbraw/zinc/29/08/42/530290842.db2.gz RRTFLJJDLUICEN-PSASIEDQSA-N -3 3 395.817 0.960 20 0 GCADHL COC(=O)c1coc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000269884871 530253347 /nfs/dbraw/zinc/25/33/47/530253347.db2.gz BCCMEQYQWWPGLG-UHFFFAOYSA-N -2 3 394.452 0.385 20 0 GCADHL COCC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000564405940 530256414 /nfs/dbraw/zinc/25/64/14/530256414.db2.gz KUJWGWRKAVCXQI-NSHDSACASA-N -2 3 398.434 0.054 20 0 GCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)OC ZINC000564405939 530256467 /nfs/dbraw/zinc/25/64/67/530256467.db2.gz KUJWGWRKAVCXQI-LLVKDONJSA-N -2 3 398.434 0.054 20 0 GCADHL COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000270690029 530262913 /nfs/dbraw/zinc/26/29/13/530262913.db2.gz RDLGFFMXAYLATB-SAPNQHFASA-N -2 3 389.455 0.902 20 0 GCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCSCC1 ZINC000583379467 530268610 /nfs/dbraw/zinc/26/86/10/530268610.db2.gz WTQLEWUCKNJUMW-UHFFFAOYSA-N -2 3 379.481 0.719 20 0 GCADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])s2)cs1 ZINC000274887330 530301250 /nfs/dbraw/zinc/30/12/50/530301250.db2.gz FBRVWDURGMGNHN-ZETCQYMHSA-N -2 3 375.453 0.787 20 0 GCADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-] ZINC000274875228 530301361 /nfs/dbraw/zinc/30/13/61/530301361.db2.gz BQDQPTYJRSDZHP-NSHDSACASA-N -2 3 381.834 0.869 20 0 GCADHL C[C@@H](CCNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000274916637 530302012 /nfs/dbraw/zinc/30/20/12/530302012.db2.gz ACCIVQXTWDOSIC-VIFPVBQESA-N -2 3 382.435 0.976 20 0 GCADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000274937264 530302473 /nfs/dbraw/zinc/30/24/73/530302473.db2.gz FOJUPHULNVDCSC-VIFPVBQESA-N -2 3 378.834 0.983 20 0 GCADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-] ZINC000274953531 530302714 /nfs/dbraw/zinc/30/27/14/530302714.db2.gz TVCQXLYIJMDLDZ-SNVBAGLBSA-N -2 3 394.833 0.362 20 0 GCADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000274966712 530303010 /nfs/dbraw/zinc/30/30/10/530303010.db2.gz JWIASPQFVUENSA-NSHDSACASA-N -2 3 388.829 0.754 20 0 GCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000274967620 530303172 /nfs/dbraw/zinc/30/31/72/530303172.db2.gz VXPFIMMSEGDESU-MRVPVSSYSA-N -3 3 394.199 0.590 20 0 GCADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)[O-] ZINC000274984325 530303585 /nfs/dbraw/zinc/30/35/85/530303585.db2.gz YCYCJGRRVQAHTR-SKDRFNHKSA-N -2 3 392.499 0.565 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C=C[C@H](C(=O)[O-])C2)cc1F ZINC000274980379 530303591 /nfs/dbraw/zinc/30/35/91/530303591.db2.gz JNSWGDRYDDILAR-IUCAKERBSA-N -2 3 378.403 0.505 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)CC(=O)[O-])c(OC)c1 ZINC000274989670 530303830 /nfs/dbraw/zinc/30/38/30/530303830.db2.gz YYYOWKQEMXUSMD-SECBINFHSA-N -2 3 380.444 0.598 20 0 GCADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]CCSCC(=O)[O-])c(Cl)s1 ZINC000274995411 530303916 /nfs/dbraw/zinc/30/39/16/530303916.db2.gz LEKORGWTUYTARB-UHFFFAOYSA-N -2 3 393.917 0.901 20 0 GCADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000275014313 530304013 /nfs/dbraw/zinc/30/40/13/530304013.db2.gz QOBLMEFNIFITRD-CQSZACIVSA-N -2 3 378.834 0.983 20 0 GCADHL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000275016769 530304195 /nfs/dbraw/zinc/30/41/95/530304195.db2.gz RAAMXLGHKLVQQF-MRVPVSSYSA-N -2 3 384.241 0.452 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000275004611 530304244 /nfs/dbraw/zinc/30/42/44/530304244.db2.gz MJGMTDCPHLQQGV-LLVKDONJSA-N -2 3 381.403 0.330 20 0 GCADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275026114 530304580 /nfs/dbraw/zinc/30/45/80/530304580.db2.gz SOFVFOAJYAETNB-SSDOTTSWSA-N -3 3 399.830 0.197 20 0 GCADHL COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000275042802 530304826 /nfs/dbraw/zinc/30/48/26/530304826.db2.gz VWJGMVYAWHZTGB-SSDOTTSWSA-N -3 3 396.215 0.912 20 0 GCADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000277259358 530330577 /nfs/dbraw/zinc/33/05/77/530330577.db2.gz MWDQTBQTQQDTRO-CQSZACIVSA-N -2 3 378.472 0.716 20 0 GCADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275064433 530305556 /nfs/dbraw/zinc/30/55/56/530305556.db2.gz ZMYRDHLIYGMTBT-SSDOTTSWSA-N -3 3 396.215 0.912 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275151435 530307169 /nfs/dbraw/zinc/30/71/69/530307169.db2.gz YSHARGSCXZOLES-VIFPVBQESA-N -3 3 379.774 0.723 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccc3c(c2)OCO3)C(=O)[O-])nc1Cl ZINC000275200145 530308369 /nfs/dbraw/zinc/30/83/69/530308369.db2.gz GNTPHZPMGDDHKX-SECBINFHSA-N -2 3 387.801 0.776 20 0 GCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])s1 ZINC000570097890 530315239 /nfs/dbraw/zinc/31/52/39/530315239.db2.gz MIZIGTBCRMBTGN-SNVBAGLBSA-N -2 3 387.443 0.057 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)[N-]OC[C@@H]1CCOC1 ZINC000276422561 530323258 /nfs/dbraw/zinc/32/32/58/530323258.db2.gz JEXKNYYSYOQYQE-MRVPVSSYSA-N -2 3 399.288 0.873 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)cc1F ZINC000276635491 530325495 /nfs/dbraw/zinc/32/54/95/530325495.db2.gz GSKFBRDTKXBJNM-UHFFFAOYSA-N -2 3 394.450 0.584 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c1 ZINC000570934483 530328047 /nfs/dbraw/zinc/32/80/47/530328047.db2.gz ZFXVNVAZBUKFKI-CPCISQLKSA-N -2 3 379.362 0.123 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000580308853 530356313 /nfs/dbraw/zinc/35/63/13/530356313.db2.gz ZRYYNDXAOXDAEW-JGZJWPJOSA-N -2 3 392.455 0.598 20 0 GCADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-] ZINC000105642308 530336970 /nfs/dbraw/zinc/33/69/70/530336970.db2.gz YVPSURSOTPWFIX-ZETCQYMHSA-N -3 3 382.188 0.664 20 0 GCADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-] ZINC000105642313 530337049 /nfs/dbraw/zinc/33/70/49/530337049.db2.gz YVPSURSOTPWFIX-SSDOTTSWSA-N -3 3 382.188 0.664 20 0 GCADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cc1Cl ZINC000278191012 530338432 /nfs/dbraw/zinc/33/84/32/530338432.db2.gz GELZRZFJGAXBJG-UHFFFAOYSA-N -2 3 395.796 0.307 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])s1 ZINC000278758327 530343235 /nfs/dbraw/zinc/34/32/35/530343235.db2.gz RPMJOFARTIPNLT-SNVBAGLBSA-N -3 3 378.428 0.371 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)[N-]OCCSC)cc1OC ZINC000280496665 530352912 /nfs/dbraw/zinc/35/29/12/530352912.db2.gz RAYHFENJQKCMOX-UHFFFAOYSA-N -2 3 391.471 0.806 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(C(=O)OC)s1 ZINC000282773311 530374590 /nfs/dbraw/zinc/37/45/90/530374590.db2.gz HXWUCSYNUKGLNU-UHFFFAOYSA-N -2 3 391.423 0.997 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(=O)[O-])CCC2)cc1F ZINC000282982773 530376331 /nfs/dbraw/zinc/37/63/31/530376331.db2.gz XKNKGBNPLHZYAG-UHFFFAOYSA-N -2 3 380.419 0.873 20 0 GCADHL CN(C)c1n[nH]c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000285016247 530388978 /nfs/dbraw/zinc/38/89/78/530388978.db2.gz HDAXXBMITASCKR-UHFFFAOYSA-N -2 3 378.411 0.182 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1 ZINC000285115799 530390186 /nfs/dbraw/zinc/39/01/86/530390186.db2.gz MWOYWJZULDJVGY-OAHLLOKOSA-N -2 3 377.390 0.754 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](N2CCOCC2)C(F)(F)F)cs1 ZINC000285328458 530392860 /nfs/dbraw/zinc/39/28/60/530392860.db2.gz GAVAVNZOQFNEKY-JTQLQIEISA-N -2 3 388.389 0.988 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c(F)cc1F ZINC000287279919 530407212 /nfs/dbraw/zinc/40/72/12/530407212.db2.gz RJWYPCLPPCJQCH-MRVPVSSYSA-N -2 3 383.394 0.766 20 0 GCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000287253097 530407216 /nfs/dbraw/zinc/40/72/16/530407216.db2.gz PQFSUWUMKGSRFX-ZCFIWIBFSA-N -3 3 375.252 0.931 20 0 GCADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287335181 530407658 /nfs/dbraw/zinc/40/76/58/530407658.db2.gz WJLYTBVXKYCFEO-SNVBAGLBSA-N -2 3 379.431 0.935 20 0 GCADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C[C@H](N1CCOCC1)C(F)(F)F ZINC000285475445 530394753 /nfs/dbraw/zinc/39/47/53/530394753.db2.gz OAZTYGJNQWODNW-NSHDSACASA-N -2 3 386.348 0.828 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](CC(C)(C)C)C(=O)[O-] ZINC000652076083 530394863 /nfs/dbraw/zinc/39/48/63/530394863.db2.gz MSYUSPJAJRXTGQ-GXSJLCMTSA-N -2 3 375.447 0.964 20 0 GCADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccnn1C ZINC000592458555 530416779 /nfs/dbraw/zinc/41/67/79/530416779.db2.gz UXNFZKNSXHVUCB-PSASIEDQSA-N -2 3 387.336 0.349 20 0 GCADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c([O-])c1 ZINC000290427544 530433239 /nfs/dbraw/zinc/43/32/39/530433239.db2.gz AHKPHGQSWKOZGF-UHFFFAOYSA-N -2 3 394.471 0.592 20 0 GCADHL O=C(C[N-]S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)Nc1ccc(Cl)cc1[O-] ZINC000290792637 530436049 /nfs/dbraw/zinc/43/60/49/530436049.db2.gz DLOVYSVDQINKFX-SECBINFHSA-N -2 3 382.847 0.091 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cn1 ZINC000596036463 530452415 /nfs/dbraw/zinc/45/24/15/530452415.db2.gz SENCSVYONJYQQG-QMMMGPOBSA-N -2 3 387.336 0.378 20 0 GCADHL O=C([O-])[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 ZINC000647727828 530483013 /nfs/dbraw/zinc/48/30/13/530483013.db2.gz AIARGZQMSFRCOL-LLVKDONJSA-N -2 3 397.236 0.584 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000297301751 530474064 /nfs/dbraw/zinc/47/40/64/530474064.db2.gz VNSPBJKXBHOWNJ-SECBINFHSA-N -2 3 379.774 0.421 20 0 GCADHL COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000534993399 530497573 /nfs/dbraw/zinc/49/75/73/530497573.db2.gz CCJYGVYQHYRIBD-UHFFFAOYSA-N -2 3 378.457 0.727 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000532002342 530498289 /nfs/dbraw/zinc/49/82/89/530498289.db2.gz MDRMVBHATWFJJT-NEPJUHHUSA-N -2 3 390.483 0.897 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000070141638 530490379 /nfs/dbraw/zinc/49/03/79/530490379.db2.gz YPYLZTLLYABARV-QMMMGPOBSA-N -2 3 384.179 0.883 20 0 GCADHL O=C([O-])[C@@H]1COCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000647733638 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396.462 0.265 20 0 GCADHL C[C@H](C(=O)[O-])C1CN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)C1 ZINC000530367732 530864228 /nfs/dbraw/zinc/86/42/28/530864228.db2.gz OLHSEKIDPNHLIV-JTQLQIEISA-N -2 3 388.467 0.469 20 0 GCADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)n1 ZINC000656381119 530841879 /nfs/dbraw/zinc/84/18/79/530841879.db2.gz NGQQAXNBHRYUEE-UHFFFAOYSA-N -2 3 392.463 0.088 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC(C)C2)n[n-]1 ZINC000349545513 530902516 /nfs/dbraw/zinc/90/25/16/530902516.db2.gz AKDCKPNIXZPIIM-UHFFFAOYSA-N -2 3 383.521 0.376 20 0 GCADHL O=C([O-])[C@H]1CCCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000507712106 530906962 /nfs/dbraw/zinc/90/69/62/530906962.db2.gz ZUKXKKPUDRDOSO-JTQLQIEISA-N -2 3 376.381 0.956 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](F)C2)n[n-]1 ZINC000349513327 530886866 /nfs/dbraw/zinc/88/68/66/530886866.db2.gz XELTWPLMIOWOBX-MRVPVSSYSA-N -2 3 387.484 0.032 20 0 GCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2nccs2)n1 ZINC000349569184 530893576 /nfs/dbraw/zinc/89/35/76/530893576.db2.gz PNWNLRNOJDEPNN-QMMMGPOBSA-N -2 3 395.488 0.647 20 0 GCADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068215966 530893919 /nfs/dbraw/zinc/89/39/19/530893919.db2.gz SLYPIMSPLAXGIR-UHFFFAOYSA-N -2 3 380.403 0.775 20 0 GCADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n[nH]1 ZINC000511042835 530932372 /nfs/dbraw/zinc/93/23/72/530932372.db2.gz FVJVDHNIMXUPNR-ZETCQYMHSA-N -2 3 377.423 0.663 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)N1CCCC1 ZINC000583841867 530915033 /nfs/dbraw/zinc/91/50/33/530915033.db2.gz PDXAJJIIAJYVBC-JTQLQIEISA-N -2 3 393.462 0.486 20 0 GCADHL CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000584470094 530915257 /nfs/dbraw/zinc/91/52/57/530915257.db2.gz LKFJVFDUJVSOOG-UHFFFAOYSA-N -2 3 375.403 0.231 20 0 GCADHL CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000584470094 530915260 /nfs/dbraw/zinc/91/52/60/530915260.db2.gz LKFJVFDUJVSOOG-UHFFFAOYSA-N -2 3 375.403 0.231 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCCCn2cc(C(=O)[O-])nn2)s1 ZINC000583859097 530916682 /nfs/dbraw/zinc/91/66/82/530916682.db2.gz CRDZWYBOTBEKLP-UHFFFAOYSA-N -2 3 388.427 0.583 20 0 GCADHL C[C@H]1CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000671192322 530921563 /nfs/dbraw/zinc/92/15/63/530921563.db2.gz UFNVSIOSPXMMGS-JQWIXIFHSA-N -2 3 388.467 0.754 20 0 GCADHL C[C@@](O)(CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000517030133 530957505 /nfs/dbraw/zinc/95/75/05/530957505.db2.gz ITQVBHRMTJASOE-GFCCVEGCSA-N -2 3 385.225 0.224 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)c(F)c1 ZINC000517238734 530959891 /nfs/dbraw/zinc/95/98/91/530959891.db2.gz HXOQWHMEZRYSTK-UHFFFAOYSA-N -2 3 394.446 0.522 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000522261953 530976204 /nfs/dbraw/zinc/97/62/04/530976204.db2.gz RJKGPWDVRCKCSC-MRVPVSSYSA-N -2 3 378.863 0.308 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000262469091 530997926 /nfs/dbraw/zinc/99/79/26/530997926.db2.gz UDKAOYTUXMSDLF-CQSZACIVSA-N -2 3 390.483 0.859 20 0 GCADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@H]1CCN([C@@H](C(=O)[O-])C(C)C)C1=O ZINC000422552836 531013869 /nfs/dbraw/zinc/01/38/69/531013869.db2.gz RUBGHPUIFXJFGU-HZSPNIEDSA-N -2 3 378.491 0.677 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000626744708 531017412 /nfs/dbraw/zinc/01/74/12/531017412.db2.gz DONXYOXMQFJRKP-MWLCHTKSSA-N -2 3 375.472 0.908 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC000530338255 531025642 /nfs/dbraw/zinc/02/56/42/531025642.db2.gz VKIYTMUPUCBIIF-SECBINFHSA-N -2 3 394.833 0.233 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-] ZINC000530339702 531025650 /nfs/dbraw/zinc/02/56/50/531025650.db2.gz FDUVJQWYOQARGK-PSASIEDQSA-N -2 3 394.833 0.361 20 0 GCADHL O=C([O-])CC1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC000663123188 531030337 /nfs/dbraw/zinc/03/03/37/531030337.db2.gz UIGGOCZIJBRLKL-UHFFFAOYSA-N -2 3 396.874 0.820 20 0 GCADHL CC(C)C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000424248205 531033069 /nfs/dbraw/zinc/03/30/69/531033069.db2.gz NCLAQQSFKLHZGX-MRVPVSSYSA-N -2 3 376.207 0.575 20 0 GCADHL CC[C@]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)(C(N)=O)C(C)C ZINC000541918011 531061967 /nfs/dbraw/zinc/06/19/67/531061967.db2.gz KTEGOGRNAOPDRF-CQSZACIVSA-N -2 3 395.478 0.766 20 0 GCADHL CC[C@@]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)(C(N)=O)C(C)C ZINC000541918010 531062122 /nfs/dbraw/zinc/06/21/22/531062122.db2.gz KTEGOGRNAOPDRF-AWEZNQCLSA-N -2 3 395.478 0.766 20 0 GCADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC000037405840 531040887 /nfs/dbraw/zinc/04/08/87/531040887.db2.gz UIEJQWONIVUDIJ-HQJQHLMTSA-N -2 3 382.232 0.960 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2n[nH]cc2C(N)=O)cc1F ZINC000671661008 531058068 /nfs/dbraw/zinc/05/80/68/531058068.db2.gz AVDHRPSMYVMNKW-UHFFFAOYSA-N -2 3 391.406 0.210 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCOC)CCC(=O)[O-] ZINC000515943113 531092699 /nfs/dbraw/zinc/09/26/99/531092699.db2.gz FEQQXOCTZRMDEW-UHFFFAOYSA-N -2 3 394.471 0.097 20 0 GCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](Cn2cc(C)cn2)C(=O)[O-])s1 ZINC000547875057 531104828 /nfs/dbraw/zinc/10/48/28/531104828.db2.gz UOCWCOUDRXCPJO-NSHDSACASA-N -2 3 387.439 0.400 20 0 GCADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)[O-])cn1C ZINC000547555126 531098666 /nfs/dbraw/zinc/09/86/66/531098666.db2.gz DGMYEQFDCAXTSO-QMMMGPOBSA-N -2 3 381.336 0.376 20 0 GCADHL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000547558501 531099381 /nfs/dbraw/zinc/09/93/81/531099381.db2.gz KAFTUPUZNHZDIU-JTQLQIEISA-N -2 3 383.348 0.164 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])cc1F ZINC000547565452 531099485 /nfs/dbraw/zinc/09/94/85/531099485.db2.gz MXJNDUGXDOKFRZ-GFCCVEGCSA-N -2 3 391.398 0.796 20 0 GCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000547575926 531099797 /nfs/dbraw/zinc/09/97/97/531099797.db2.gz KKOJXXYHZUHJDG-CQSZACIVSA-N -2 3 388.467 0.613 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])s1 ZINC000547577266 531099863 /nfs/dbraw/zinc/09/98/63/531099863.db2.gz WQPGSHQNMGYQRX-UHFFFAOYSA-N -2 3 398.528 0.619 20 0 GCADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(=O)[O-] ZINC000547615119 531101253 /nfs/dbraw/zinc/10/12/53/531101253.db2.gz MDEYNBJKKSKEDC-VIFPVBQESA-N -3 3 382.435 0.976 20 0 GCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547611044 531101260 /nfs/dbraw/zinc/10/12/60/531101260.db2.gz AWJIQRLRWKTMOA-CMPLNLGQSA-N -3 3 398.434 0.090 20 0 GCADHL C[C@H](CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(=O)[O-] ZINC000547615118 531101336 /nfs/dbraw/zinc/10/13/36/531101336.db2.gz MDEYNBJKKSKEDC-SECBINFHSA-N -3 3 382.435 0.976 20 0 GCADHL C[C@](C[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)(CC(=O)[O-])C(=O)[O-] ZINC000547611452 531101460 /nfs/dbraw/zinc/10/14/60/531101460.db2.gz GMYAXYLCHYOWPK-CYBMUJFWSA-N -3 3 397.402 0.073 20 0 GCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547611047 531101708 /nfs/dbraw/zinc/10/17/08/531101708.db2.gz AWJIQRLRWKTMOA-ZYHUDNBSSA-N -3 3 398.434 0.090 20 0 GCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547617918 531102416 /nfs/dbraw/zinc/10/24/16/531102416.db2.gz QFYKESVIBDFDIL-GZMMTYOYSA-N -2 3 378.790 0.667 20 0 GCADHL COCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000547882592 531105307 /nfs/dbraw/zinc/10/53/07/531105307.db2.gz UIHNHCYDDKPTBN-VIFPVBQESA-N -2 3 398.231 0.198 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)[O-] ZINC000547889737 531105491 /nfs/dbraw/zinc/10/54/91/531105491.db2.gz JUBOUXFUSIDHBB-NSHDSACASA-N -2 3 392.499 0.831 20 0 GCADHL C[C@H]1SC[C@H](C(=O)[O-])N1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000547893847 531105591 /nfs/dbraw/zinc/10/55/91/531105591.db2.gz YCJCGRMGISYEHY-RDDDGLTNSA-N -2 3 398.459 0.734 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C1 ZINC000547900003 531106357 /nfs/dbraw/zinc/10/63/57/531106357.db2.gz LJOMEWFDYDJFSX-QMMMGPOBSA-N -2 3 381.332 0.312 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000547932065 531107317 /nfs/dbraw/zinc/10/73/17/531107317.db2.gz UZZIKZQBSNFXEV-CQSZACIVSA-N -3 3 393.801 0.971 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000548224903 531111999 /nfs/dbraw/zinc/11/19/99/531111999.db2.gz ORKITRFXCDSDAH-VIFPVBQESA-N -3 3 377.346 0.456 20 0 GCADHL NC(=O)CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161794041 531112099 /nfs/dbraw/zinc/11/20/99/531112099.db2.gz RSGMYQHLGJXSMA-MRVPVSSYSA-N -2 3 383.195 0.585 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c(F)c1 ZINC000548235243 531112606 /nfs/dbraw/zinc/11/26/06/531112606.db2.gz YVKCIIDTWIPERK-GFCCVEGCSA-N -3 3 380.419 0.729 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]CCSCC(=O)[O-])c(C(=O)OC)s1 ZINC000548234683 531112718 /nfs/dbraw/zinc/11/27/18/531112718.db2.gz MLPCWPOCVCQQHZ-UHFFFAOYSA-N -2 3 397.452 0.417 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000548248649 531113423 /nfs/dbraw/zinc/11/34/23/531113423.db2.gz JCQCNXWEIRKJER-JTQLQIEISA-N -2 3 386.407 0.610 20 0 GCADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548260370 531113827 /nfs/dbraw/zinc/11/38/27/531113827.db2.gz VWGXKHLOVBZCQE-SNVBAGLBSA-N -3 3 382.435 0.832 20 0 GCADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])cc1OC ZINC000548265961 531114270 /nfs/dbraw/zinc/11/42/70/531114270.db2.gz OATGBYVEXVRDOP-AWEZNQCLSA-N -3 3 379.362 0.687 20 0 GCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)[C@H]1CCOC1 ZINC000548538238 531117796 /nfs/dbraw/zinc/11/77/96/531117796.db2.gz FUMMVSUHZZURFD-LKFCYVNXSA-N -2 3 388.829 0.993 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c1 ZINC000548535304 531118203 /nfs/dbraw/zinc/11/82/03/531118203.db2.gz ZFXVNVAZBUKFKI-HQJQHLMTSA-N -2 3 379.362 0.123 20 0 GCADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-])C1CC1 ZINC000548993090 531124825 /nfs/dbraw/zinc/12/48/25/531124825.db2.gz XWEIQPMEOCXPGN-CLAHSXSESA-N -2 3 390.845 0.982 20 0 GCADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOCC(=O)[O-] ZINC000263498015 531132343 /nfs/dbraw/zinc/13/23/43/531132343.db2.gz YIEWMZMDGVNMRU-AWEZNQCLSA-N -2 3 376.406 0.346 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CN(C)CCO1 ZINC000676237357 531136513 /nfs/dbraw/zinc/13/65/13/531136513.db2.gz JGDJYHSKYACNQQ-MFKMUULPSA-N -2 3 395.478 0.195 20 0 GCADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-] ZINC000097514122 531139008 /nfs/dbraw/zinc/13/90/08/531139008.db2.gz FTFPGOPRKYSNSV-LBPRGKRZSA-N -2 3 382.232 0.962 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1c([O-])cccc1F ZINC000436891447 531147143 /nfs/dbraw/zinc/14/71/43/531147143.db2.gz IRLDYSQGRUOOSN-UHFFFAOYSA-N -2 3 375.403 0.710 20 0 GCADHL COc1cccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1[O-] ZINC000436819649 531147486 /nfs/dbraw/zinc/14/74/86/531147486.db2.gz IPXZTCJAKUJQEY-UHFFFAOYSA-N -2 3 387.439 0.580 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nncn1C ZINC000439207354 531160023 /nfs/dbraw/zinc/16/00/23/531160023.db2.gz TXCPVSUTFQBYEZ-VIFPVBQESA-N -2 3 391.450 0.408 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H]1CC ZINC000554416982 531161959 /nfs/dbraw/zinc/16/19/59/531161959.db2.gz PYKCWSLHLUPSAM-VXGBXAGGSA-N -2 3 390.483 0.859 20 0 GCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-] ZINC000629292935 531162049 /nfs/dbraw/zinc/16/20/49/531162049.db2.gz DMKWNHDJLGOQIF-SECBINFHSA-N -2 3 397.222 0.894 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1CC ZINC000554416979 531162091 /nfs/dbraw/zinc/16/20/91/531162091.db2.gz PYKCWSLHLUPSAM-NEPJUHHUSA-N -2 3 390.483 0.859 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000629308287 531163501 /nfs/dbraw/zinc/16/35/01/531163501.db2.gz AQQPHZCBJZJLSJ-VIFPVBQESA-N -2 3 398.409 0.468 20 0 GCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000555374511 531169249 /nfs/dbraw/zinc/16/92/49/531169249.db2.gz IPAYRXJTPHEQLK-LLVKDONJSA-N -2 3 376.456 0.611 20 0 GCADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000555579613 531171113 /nfs/dbraw/zinc/17/11/13/531171113.db2.gz ADHGRLRDBFOOSV-LURJTMIESA-N -2 3 385.623 0.709 20 0 GCADHL O=C([O-])c1cnccc1N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000565039943 531178783 /nfs/dbraw/zinc/17/87/83/531178783.db2.gz FQWMUDIUUNZFNZ-UHFFFAOYSA-N -2 3 382.364 0.735 20 0 GCADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000684717025 531186972 /nfs/dbraw/zinc/18/69/72/531186972.db2.gz GXASCBZRLFBHEX-JTQLQIEISA-N -2 3 379.460 0.287 20 0 GCADHL C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073289 531196165 /nfs/dbraw/zinc/19/61/65/531196165.db2.gz BVZUJMFGTBAODS-PELKAZGASA-N -2 3 379.435 0.000 20 0 GCADHL C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443073292 531196787 /nfs/dbraw/zinc/19/67/87/531196787.db2.gz BVZUJMFGTBAODS-UFBFGSQYSA-N -2 3 379.435 0.000 20 0 GCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344177 598842131 /nfs/dbraw/zinc/84/21/31/598842131.db2.gz AYENCBXZFQRYFJ-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344177 598842132 /nfs/dbraw/zinc/84/21/32/598842132.db2.gz AYENCBXZFQRYFJ-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737758952 598842203 /nfs/dbraw/zinc/84/22/03/598842203.db2.gz QJGITLUFLHGUNW-UHFFFAOYSA-N -2 3 376.373 0.834 20 0 GCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737758952 598842205 /nfs/dbraw/zinc/84/22/05/598842205.db2.gz QJGITLUFLHGUNW-UHFFFAOYSA-N -2 3 376.373 0.834 20 0 GCADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737174415 598843716 /nfs/dbraw/zinc/84/37/16/598843716.db2.gz WTBNDBWBTJGMRB-UHFFFAOYSA-N -2 3 398.401 0.605 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735959825 598855215 /nfs/dbraw/zinc/85/52/15/598855215.db2.gz CTTPWUMDFBMMAR-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735959825 598855216 /nfs/dbraw/zinc/85/52/16/598855216.db2.gz CTTPWUMDFBMMAR-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736913033 598924681 /nfs/dbraw/zinc/92/46/81/598924681.db2.gz LXYUKQCIWYQSHL-SNVBAGLBSA-N -2 3 397.413 0.033 20 0 GCADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737163846 598925262 /nfs/dbraw/zinc/92/52/62/598925262.db2.gz QMFWKUJJOMBSTC-UHFFFAOYSA-N -2 3 395.788 0.437 20 0 GCADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737163846 598925265 /nfs/dbraw/zinc/92/52/65/598925265.db2.gz QMFWKUJJOMBSTC-UHFFFAOYSA-N -2 3 395.788 0.437 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1 ZINC000737298377 598976440 /nfs/dbraw/zinc/97/64/40/598976440.db2.gz ITSNVIYXYNSGFA-UHFFFAOYSA-N -2 3 387.425 0.905 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C1CC1 ZINC000737298377 598976441 /nfs/dbraw/zinc/97/64/41/598976441.db2.gz ITSNVIYXYNSGFA-UHFFFAOYSA-N -2 3 387.425 0.905 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000737297946 598974791 /nfs/dbraw/zinc/97/47/91/598974791.db2.gz GSXJPUZGYFEJJT-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cn2ccccc2n1 ZINC000737297946 598974793 /nfs/dbraw/zinc/97/47/93/598974793.db2.gz GSXJPUZGYFEJJT-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1 ZINC000737298476 598975182 /nfs/dbraw/zinc/97/51/82/598975182.db2.gz KPXCJALRIVSDHK-UHFFFAOYSA-N -2 3 397.420 0.870 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)Cc1cn2ccccc2n1 ZINC000737298476 598975184 /nfs/dbraw/zinc/97/51/84/598975184.db2.gz KPXCJALRIVSDHK-UHFFFAOYSA-N -2 3 397.420 0.870 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000737297567 598976552 /nfs/dbraw/zinc/97/65/52/598976552.db2.gz CBLWWCHGOUVQJJ-LBPRGKRZSA-N -2 3 381.414 0.176 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COC[C@@H]1CCCO1 ZINC000737297567 598976554 /nfs/dbraw/zinc/97/65/54/598976554.db2.gz CBLWWCHGOUVQJJ-LBPRGKRZSA-N -2 3 381.414 0.176 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1n[nH]c2c1CCCC2 ZINC000737300514 598976720 /nfs/dbraw/zinc/97/67/20/598976720.db2.gz ZSODRWBNDKLERK-UHFFFAOYSA-N -2 3 387.425 0.896 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736935956 598977413 /nfs/dbraw/zinc/97/74/13/598977413.db2.gz LOVNDLDGIQCLQW-LBPRGKRZSA-N -2 3 396.429 0.361 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736935956 598977415 /nfs/dbraw/zinc/97/74/15/598977415.db2.gz LOVNDLDGIQCLQW-LBPRGKRZSA-N -2 3 396.429 0.361 20 0 GCADHL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000736956669 599025845 /nfs/dbraw/zinc/02/58/45/599025845.db2.gz HYJYHBVKJXNPLF-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000736956669 599025846 /nfs/dbraw/zinc/02/58/46/599025846.db2.gz HYJYHBVKJXNPLF-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1F ZINC000821937375 607258120 /nfs/dbraw/zinc/25/81/20/607258120.db2.gz MEIOPMKDXLHGOQ-UHFFFAOYSA-N -2 3 398.401 0.605 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1F ZINC000821937375 607258121 /nfs/dbraw/zinc/25/81/21/607258121.db2.gz MEIOPMKDXLHGOQ-UHFFFAOYSA-N -2 3 398.401 0.605 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CN(C)CCO1 ZINC000820437669 607259572 /nfs/dbraw/zinc/25/95/72/607259572.db2.gz BBOBIPPBMCICBX-PRHODGIISA-N -2 3 388.400 0.142 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cnn2ccccc12 ZINC000738139171 599220299 /nfs/dbraw/zinc/22/02/99/599220299.db2.gz LUUNBHABFYUUSL-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cnn2ccccc12 ZINC000738139171 599220301 /nfs/dbraw/zinc/22/03/01/599220301.db2.gz LUUNBHABFYUUSL-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000821936678 599231002 /nfs/dbraw/zinc/23/10/02/599231002.db2.gz DELIZZKHQWXMPK-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821936678 599231004 /nfs/dbraw/zinc/23/10/04/599231004.db2.gz DELIZZKHQWXMPK-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000821667173 607328026 /nfs/dbraw/zinc/32/80/26/607328026.db2.gz YASWFTZVQDCGNF-UHFFFAOYSA-N -2 3 381.349 0.625 20 0 GCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737918776 598307196 /nfs/dbraw/zinc/30/71/96/598307196.db2.gz KZFPVDPJJCQPLS-ZDUSSCGKSA-N -2 3 381.414 0.261 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736730445 598307200 /nfs/dbraw/zinc/30/72/00/598307200.db2.gz FBNBAMXXIBSWSE-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736730445 598307202 /nfs/dbraw/zinc/30/72/02/598307202.db2.gz FBNBAMXXIBSWSE-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736931896 598331577 /nfs/dbraw/zinc/33/15/77/598331577.db2.gz CEOHSOZSTAJZNA-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736931896 598331579 /nfs/dbraw/zinc/33/15/79/598331579.db2.gz CEOHSOZSTAJZNA-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)c1cocn1 ZINC000738140466 598332060 /nfs/dbraw/zinc/33/20/60/598332060.db2.gz VMUQFJXVGQDFAD-UHFFFAOYSA-N -2 3 388.287 0.992 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)c1cocn1 ZINC000738140466 598332062 /nfs/dbraw/zinc/33/20/62/598332062.db2.gz VMUQFJXVGQDFAD-UHFFFAOYSA-N -2 3 388.287 0.992 20 0 GCADHL O=S(=O)([N-]c1cccnc1N1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340982 598333286 /nfs/dbraw/zinc/33/32/86/598333286.db2.gz ASJCHOKZZLNILI-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC000737236386 598414991 /nfs/dbraw/zinc/41/49/91/598414991.db2.gz JMGSVCGSEOHWTB-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC000737236386 598414992 /nfs/dbraw/zinc/41/49/92/598414992.db2.gz JMGSVCGSEOHWTB-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737987929 598415172 /nfs/dbraw/zinc/41/51/72/598415172.db2.gz CYKUEPOUSXEINS-UHFFFAOYSA-N -2 3 394.800 0.187 20 0 GCADHL O=C(Cn1ccccc1=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737987929 598415174 /nfs/dbraw/zinc/41/51/74/598415174.db2.gz CYKUEPOUSXEINS-UHFFFAOYSA-N -2 3 394.800 0.187 20 0 GCADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736906914 598416480 /nfs/dbraw/zinc/41/64/80/598416480.db2.gz ABOAWLUUGLHLMS-IUCAKERBSA-N -2 3 385.789 0.134 20 0 GCADHL COC(=O)[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736906914 598416481 /nfs/dbraw/zinc/41/64/81/598416481.db2.gz ABOAWLUUGLHLMS-IUCAKERBSA-N -2 3 385.789 0.134 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737982878 598425020 /nfs/dbraw/zinc/42/50/20/598425020.db2.gz TWNHHMPAKGYHSY-UHFFFAOYSA-N -2 3 391.395 0.443 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737982878 598425022 /nfs/dbraw/zinc/42/50/22/598425022.db2.gz TWNHHMPAKGYHSY-UHFFFAOYSA-N -2 3 391.395 0.443 20 0 GCADHL CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736628636 598432935 /nfs/dbraw/zinc/43/29/35/598432935.db2.gz SACYNZGHGXNJMB-UHFFFAOYSA-N -2 3 382.340 0.256 20 0 GCADHL CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736628636 598432937 /nfs/dbraw/zinc/43/29/37/598432937.db2.gz SACYNZGHGXNJMB-UHFFFAOYSA-N -2 3 382.340 0.256 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccccn2)n1 ZINC000737281648 598437893 /nfs/dbraw/zinc/43/78/93/598437893.db2.gz VGPCKSCWWPQTTH-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000737622338 598482162 /nfs/dbraw/zinc/48/21/62/598482162.db2.gz MIVRFVHRILDVRC-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737622338 598482163 /nfs/dbraw/zinc/48/21/63/598482163.db2.gz MIVRFVHRILDVRC-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nnn[n-]3)c2n1 ZINC000737436048 598536214 /nfs/dbraw/zinc/53/62/14/598536214.db2.gz JWVMFGNMYGELKW-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nn[n-]n3)c2n1 ZINC000737436048 598536216 /nfs/dbraw/zinc/53/62/16/598536216.db2.gz JWVMFGNMYGELKW-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736938095 598544120 /nfs/dbraw/zinc/54/41/20/598544120.db2.gz ZONDUBICVZDGGB-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736938095 598544121 /nfs/dbraw/zinc/54/41/21/598544121.db2.gz ZONDUBICVZDGGB-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1C ZINC000736879368 598593487 /nfs/dbraw/zinc/59/34/87/598593487.db2.gz URFXLGNRWKTBFO-UHFFFAOYSA-N -2 3 379.377 0.505 20 0 GCADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1C ZINC000736879368 598593488 /nfs/dbraw/zinc/59/34/88/598593488.db2.gz URFXLGNRWKTBFO-UHFFFAOYSA-N -2 3 379.377 0.505 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)ccc1C ZINC000736938795 598674044 /nfs/dbraw/zinc/67/40/44/598674044.db2.gz BYJZNHWEDLABGT-UHFFFAOYSA-N -2 3 377.386 0.794 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000736938795 598674046 /nfs/dbraw/zinc/67/40/46/598674046.db2.gz BYJZNHWEDLABGT-UHFFFAOYSA-N -2 3 377.386 0.794 20 0 GCADHL O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738078520 598719488 /nfs/dbraw/zinc/71/94/88/598719488.db2.gz RCDUBLCTXTUDLB-UHFFFAOYSA-N -2 3 393.367 0.447 20 0 GCADHL O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738078520 598719489 /nfs/dbraw/zinc/71/94/89/598719489.db2.gz RCDUBLCTXTUDLB-UHFFFAOYSA-N -2 3 393.367 0.447 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737794643 598762459 /nfs/dbraw/zinc/76/24/59/598762459.db2.gz FVMWLKBDPAVPFY-UTCJRWHESA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737794643 598762461 /nfs/dbraw/zinc/76/24/61/598762461.db2.gz FVMWLKBDPAVPFY-UTCJRWHESA-N -2 3 377.426 0.796 20 0 GCADHL CCc1nnnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821553799 599304013 /nfs/dbraw/zinc/30/40/13/599304013.db2.gz KEKCWTYOAYIXIO-UHFFFAOYSA-N -2 3 398.412 0.601 20 0 GCADHL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822868543 599306903 /nfs/dbraw/zinc/30/69/03/599306903.db2.gz CEYJUXKMDLIRHL-UHFFFAOYSA-N -2 3 387.425 0.955 20 0 GCADHL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822868543 599306905 /nfs/dbraw/zinc/30/69/05/599306905.db2.gz CEYJUXKMDLIRHL-UHFFFAOYSA-N -2 3 387.425 0.955 20 0 GCADHL O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)CN1 ZINC000823520904 607378046 /nfs/dbraw/zinc/37/80/46/607378046.db2.gz PCFBUUIBVGUBPW-NSHDSACASA-N -2 3 385.409 0.666 20 0 GCADHL O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)CN1 ZINC000823520904 607378047 /nfs/dbraw/zinc/37/80/47/607378047.db2.gz PCFBUUIBVGUBPW-NSHDSACASA-N -2 3 385.409 0.666 20 0 GCADHL CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736731663 599562111 /nfs/dbraw/zinc/56/21/11/599562111.db2.gz QHAYQWXRWYZYMN-UHFFFAOYSA-N -2 3 398.412 0.736 20 0 GCADHL CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736731663 599562114 /nfs/dbraw/zinc/56/21/14/599562114.db2.gz QHAYQWXRWYZYMN-UHFFFAOYSA-N -2 3 398.412 0.736 20 0 GCADHL CCCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000736498658 599617368 /nfs/dbraw/zinc/61/73/68/599617368.db2.gz WMDLRRZVFOMZJB-UHFFFAOYSA-N -2 3 383.430 0.890 20 0 GCADHL CCCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000736498658 599617369 /nfs/dbraw/zinc/61/73/69/599617369.db2.gz WMDLRRZVFOMZJB-UHFFFAOYSA-N -2 3 383.430 0.890 20 0 GCADHL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000821635376 599620825 /nfs/dbraw/zinc/62/08/25/599620825.db2.gz ZGFJTCAWNDAYIW-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000821635376 599620826 /nfs/dbraw/zinc/62/08/26/599620826.db2.gz ZGFJTCAWNDAYIW-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1=COCC1 ZINC000823285046 599620981 /nfs/dbraw/zinc/62/09/81/599620981.db2.gz MGTLKRMHUNTLBB-UHFFFAOYSA-N -2 3 389.315 0.995 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1=COCC1 ZINC000823285046 599620982 /nfs/dbraw/zinc/62/09/82/599620982.db2.gz MGTLKRMHUNTLBB-UHFFFAOYSA-N -2 3 389.315 0.995 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820133428 599621265 /nfs/dbraw/zinc/62/12/65/599621265.db2.gz RLSRMIFIMCUDGI-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820133428 599621266 /nfs/dbraw/zinc/62/12/66/599621266.db2.gz RLSRMIFIMCUDGI-UHFFFAOYSA-N -2 3 394.457 0.508 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820050845 599621439 /nfs/dbraw/zinc/62/14/39/599621439.db2.gz HDMSZRWUFTZOMY-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820050845 599621440 /nfs/dbraw/zinc/62/14/40/599621440.db2.gz HDMSZRWUFTZOMY-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821286262 599621493 /nfs/dbraw/zinc/62/14/93/599621493.db2.gz PCAUAJIAGPQOQZ-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821286262 599621494 /nfs/dbraw/zinc/62/14/94/599621494.db2.gz PCAUAJIAGPQOQZ-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821903368 599625527 /nfs/dbraw/zinc/62/55/27/599625527.db2.gz FULUVSDWFSDIKM-UHFFFAOYSA-N -2 3 389.393 0.759 20 0 GCADHL O=C([O-])[C@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000739370684 599744923 /nfs/dbraw/zinc/74/49/23/599744923.db2.gz JQMDKAIKXUFSOW-JTQLQIEISA-N -2 3 397.236 0.609 20 0 GCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000737573421 599796645 /nfs/dbraw/zinc/79/66/45/599796645.db2.gz JSZFKOTUKYMKHE-SNVBAGLBSA-N -2 3 396.780 0.732 20 0 GCADHL Cn1nc(CC(C)(C)C)cc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC000739051862 599875085 /nfs/dbraw/zinc/87/50/85/599875085.db2.gz ZFJKHSUHUGTHJL-JTQLQIEISA-N -3 3 397.432 0.628 20 0 GCADHL O=C([O-])C1(NC(=O)COC(=O)CNC(=O)c2ccc([O-])cc2)CCCCC1 ZINC000739314356 600164617 /nfs/dbraw/zinc/16/46/17/600164617.db2.gz HIZCGUFXTJHQOP-UHFFFAOYSA-N -2 3 378.381 0.569 20 0 GCADHL O=C([O-])/C=C1/SCC(=O)N1CCCOC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739623903 600164950 /nfs/dbraw/zinc/16/49/50/600164950.db2.gz HFCBZDVYHKULLM-RIYZIHGNSA-N -2 3 394.405 0.557 20 0 GCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC3(c4nnn[n-]4)CCCC3)cc2)[n-]1 ZINC000739876735 600185671 /nfs/dbraw/zinc/18/56/71/600185671.db2.gz HPCSNFRYEAGXGW-UHFFFAOYSA-N -3 3 397.395 0.505 20 0 GCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NC3(c4nn[n-]n4)CCCC3)cc2)[n-]1 ZINC000739876735 600185673 /nfs/dbraw/zinc/18/56/73/600185673.db2.gz HPCSNFRYEAGXGW-UHFFFAOYSA-N -3 3 397.395 0.505 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H](C)C(=O)[O-])cc1OC ZINC000655941998 600343557 /nfs/dbraw/zinc/34/35/57/600343557.db2.gz IDHNKAANYJNZQR-VIFPVBQESA-N -2 3 387.414 0.232 20 0 GCADHL CCNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737122260 600632810 /nfs/dbraw/zinc/63/28/10/600632810.db2.gz WAKNOSSSRKNKIG-UHFFFAOYSA-N -2 3 383.195 0.701 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CCCC1 ZINC000261904552 600897920 /nfs/dbraw/zinc/89/79/20/600897920.db2.gz VNXSTAIOWFNDCX-GFCCVEGCSA-N -2 3 385.442 0.816 20 0 GCADHL CCOc1ccc(C[C@H](CNC(=O)c2[nH]c(=O)[n-]c(=O)c2N)C(=O)[O-])cc1 ZINC000830071334 600912285 /nfs/dbraw/zinc/91/22/85/600912285.db2.gz UHDRPPVFCNRQDG-SNVBAGLBSA-N -2 3 376.369 0.542 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1C(=O)[O-] ZINC000833027501 601225936 /nfs/dbraw/zinc/22/59/36/601225936.db2.gz FYDRYYQYVFNSEE-KWQFWETISA-N -2 3 380.444 0.235 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCNC(=O)c2cccnc2)c1F ZINC000833141117 601232021 /nfs/dbraw/zinc/23/20/21/601232021.db2.gz QIYUXOKOSDIZNB-UHFFFAOYSA-N -2 3 385.348 0.766 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820833020 607496216 /nfs/dbraw/zinc/49/62/16/607496216.db2.gz QDUKWSHLFQQOGK-CYBMUJFWSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820833020 607496217 /nfs/dbraw/zinc/49/62/17/607496217.db2.gz QDUKWSHLFQQOGK-CYBMUJFWSA-N -2 3 392.441 0.071 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CN1CCOCC1 ZINC000827507656 601237993 /nfs/dbraw/zinc/23/79/93/601237993.db2.gz NWJZSHYAOBAWLD-JTQLQIEISA-N -2 3 378.397 0.910 20 0 GCADHL COC(=O)c1sc2[n-]c(CN3CCO[C@@H](CC(=O)[O-])C3)nc(=O)c2c1C ZINC000831479520 601572335 /nfs/dbraw/zinc/57/23/35/601572335.db2.gz OZCHKQPLMHCOHB-VIFPVBQESA-N -2 3 381.410 0.755 20 0 GCADHL Cc1[nH]nc(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c1C(=O)[O-] ZINC000832990827 601619084 /nfs/dbraw/zinc/61/90/84/601619084.db2.gz INQINCUPQCCDGC-UHFFFAOYSA-N -2 3 380.304 0.941 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])ccc1F ZINC000831029453 601689853 /nfs/dbraw/zinc/68/98/53/601689853.db2.gz SFKQNLIXNAQLQH-JTQLQIEISA-N -2 3 376.431 0.766 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCS(=O)(=O)CC2)c(F)cc1F ZINC000832902519 601808623 /nfs/dbraw/zinc/80/86/23/601808623.db2.gz ADWDPEYIIQELHH-UHFFFAOYSA-N -2 3 383.394 0.584 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c1-c1nnn[n-]1 ZINC000826304138 607534884 /nfs/dbraw/zinc/53/48/84/607534884.db2.gz YAUNUXSMNQIWEU-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c1-c1nn[n-]n1 ZINC000826304138 607534885 /nfs/dbraw/zinc/53/48/85/607534885.db2.gz YAUNUXSMNQIWEU-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1-c1nnn[n-]1 ZINC000826304048 607534952 /nfs/dbraw/zinc/53/49/52/607534952.db2.gz SVQIHBLGYWVNBR-UHFFFAOYSA-N -2 3 388.409 0.840 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)c1-c1nn[n-]n1 ZINC000826304048 607534954 /nfs/dbraw/zinc/53/49/54/607534954.db2.gz SVQIHBLGYWVNBR-UHFFFAOYSA-N -2 3 388.409 0.840 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000825914591 608011201 /nfs/dbraw/zinc/01/12/01/608011201.db2.gz KXDCVHGQHIMROG-UHFFFAOYSA-N -2 3 390.219 0.724 20 0 GCADHL C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769510335 602123909 /nfs/dbraw/zinc/12/39/09/602123909.db2.gz NWANVIPUOKGSJH-VHSXEESVSA-N -2 3 375.834 0.725 20 0 GCADHL C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769510331 602124139 /nfs/dbraw/zinc/12/41/39/602124139.db2.gz NWANVIPUOKGSJH-NXEZZACHSA-N -2 3 375.834 0.725 20 0 GCADHL CC(C)C(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000393104634 602141508 /nfs/dbraw/zinc/14/15/08/602141508.db2.gz DTHVOYXJOSYSJH-UHFFFAOYSA-N -2 3 383.220 0.791 20 0 GCADHL Cn1cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cn1 ZINC000148727361 602147034 /nfs/dbraw/zinc/14/70/34/602147034.db2.gz ZPRMOZYPZRIRHX-UHFFFAOYSA-N -2 3 378.204 0.995 20 0 GCADHL CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000228791794 602148024 /nfs/dbraw/zinc/14/80/24/602148024.db2.gz GURCMIWJYHDGJR-UHFFFAOYSA-N -2 3 383.220 0.887 20 0 GCADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1=O ZINC000084088522 602157647 /nfs/dbraw/zinc/15/76/47/602157647.db2.gz HJTKSTGEDOXVJM-LURJTMIESA-N -2 3 381.204 0.639 20 0 GCADHL CN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1=O ZINC000830934234 602162443 /nfs/dbraw/zinc/16/24/43/602162443.db2.gz BFWSEAXKVXPQDP-LURJTMIESA-N -2 3 381.204 0.639 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)c(Br)o1 ZINC000833303292 602163105 /nfs/dbraw/zinc/16/31/05/602163105.db2.gz PLPGBUCWYWMANX-ZCFIWIBFSA-N -2 3 393.215 0.782 20 0 GCADHL CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000829795438 602167159 /nfs/dbraw/zinc/16/71/59/602167159.db2.gz ULLMOULMFUIZAN-MRVPVSSYSA-N -2 3 377.369 0.745 20 0 GCADHL CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829162693 602212862 /nfs/dbraw/zinc/21/28/62/602212862.db2.gz SQMQGTPOCBMIBQ-UWVGGRQHSA-N -2 3 380.444 0.316 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826450631 607560356 /nfs/dbraw/zinc/56/03/56/607560356.db2.gz VQHJXVOHJJHCSC-OAHLLOKOSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1OCCc2ccccc21 ZINC000826450631 607560357 /nfs/dbraw/zinc/56/03/57/607560357.db2.gz VQHJXVOHJJHCSC-OAHLLOKOSA-N -2 3 385.405 0.986 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000826279281 607564362 /nfs/dbraw/zinc/56/43/62/607564362.db2.gz LTJCQPDYOFYPMU-UHFFFAOYSA-N -2 3 387.425 0.827 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn2c1CCCC2 ZINC000826279281 607564363 /nfs/dbraw/zinc/56/43/63/607564363.db2.gz LTJCQPDYOFYPMU-UHFFFAOYSA-N -2 3 387.425 0.827 20 0 GCADHL CC(C)COC[C@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824271953 607626321 /nfs/dbraw/zinc/62/63/21/607626321.db2.gz SAFJZTPOFCRTQR-SNVBAGLBSA-N -2 3 391.400 0.457 20 0 GCADHL CSC[C@H](CCO)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826228400 607642915 /nfs/dbraw/zinc/64/29/15/607642915.db2.gz NMHUJDNWVAZBSG-QMMMGPOBSA-N -2 3 379.414 0.537 20 0 GCADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(CCOC)c1 ZINC000825631485 607661101 /nfs/dbraw/zinc/66/11/01/607661101.db2.gz BITSKMGQEICFFA-UHFFFAOYSA-N -2 3 393.429 0.909 20 0 GCADHL O=S(=O)([N-]CC1(CO)CCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489807 607680744 /nfs/dbraw/zinc/68/07/44/607680744.db2.gz ABQCFDAVGKFNBH-UHFFFAOYSA-N -2 3 389.384 0.212 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1-c1nnn[n-]1 ZINC000825552616 607682310 /nfs/dbraw/zinc/68/23/10/607682310.db2.gz BFTLKERUJWARBN-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccnn2C)cc1-c1nn[n-]n1 ZINC000825552616 607682312 /nfs/dbraw/zinc/68/23/12/607682312.db2.gz BFTLKERUJWARBN-UHFFFAOYSA-N -2 3 392.401 0.969 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1-c1nnn[n-]1 ZINC000825553500 607682412 /nfs/dbraw/zinc/68/24/12/607682412.db2.gz RRERZQWOGWCQQB-UHFFFAOYSA-N -2 3 378.374 0.959 20 0 GCADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1-c1nn[n-]n1 ZINC000825553500 607682413 /nfs/dbraw/zinc/68/24/13/607682413.db2.gz RRERZQWOGWCQQB-UHFFFAOYSA-N -2 3 378.374 0.959 20 0 GCADHL CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000736367743 604410757 /nfs/dbraw/zinc/41/07/57/604410757.db2.gz LMHCGKUZIXIRHY-LBPRGKRZSA-N -2 3 377.357 0.388 20 0 GCADHL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000825518162 607694986 /nfs/dbraw/zinc/69/49/86/607694986.db2.gz SVYCBPFSQFKJLF-UHFFFAOYSA-N -2 3 395.426 0.625 20 0 GCADHL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000825518162 607694987 /nfs/dbraw/zinc/69/49/87/607694987.db2.gz SVYCBPFSQFKJLF-UHFFFAOYSA-N -2 3 395.426 0.625 20 0 GCADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)n[nH]1 ZINC000833674590 605005103 /nfs/dbraw/zinc/00/51/03/605005103.db2.gz UNRMDABDGUVMGG-LURJTMIESA-N -2 3 388.427 0.953 20 0 GCADHL CCC(CC)[C@H](C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-])N1CCOCC1 ZINC000833641707 605016673 /nfs/dbraw/zinc/01/66/73/605016673.db2.gz AIITZHDIDXFWGB-ZDUSSCGKSA-N -2 3 388.490 0.832 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c(Br)o1 ZINC000833780411 605037101 /nfs/dbraw/zinc/03/71/01/605037101.db2.gz RTJBMYNBYYUAEH-MRVPVSSYSA-N -2 3 398.231 0.806 20 0 GCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833598521 605040996 /nfs/dbraw/zinc/04/09/96/605040996.db2.gz QIYJPOIVDJSDJN-APPZFPTMSA-N -2 3 385.427 0.047 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(CCO)CCOC2)c(Br)o1 ZINC000833780236 605060437 /nfs/dbraw/zinc/06/04/37/605060437.db2.gz PHCBIRMKTOEVIJ-GFCCVEGCSA-N -2 3 398.231 0.808 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(-c2nc[nH]n2)no1 ZINC000833471474 605078659 /nfs/dbraw/zinc/07/86/59/605078659.db2.gz RWYQDWDXMFUOJA-SNVBAGLBSA-N -2 3 395.401 0.567 20 0 GCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc2)[n-]1 ZINC000833776034 605176715 /nfs/dbraw/zinc/17/67/15/605176715.db2.gz PFJPQTVORSNJPF-LBPRGKRZSA-N -3 3 397.395 0.326 20 0 GCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2)[n-]1 ZINC000833776034 605176719 /nfs/dbraw/zinc/17/67/19/605176719.db2.gz PFJPQTVORSNJPF-LBPRGKRZSA-N -3 3 397.395 0.326 20 0 GCADHL CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833648737 605177395 /nfs/dbraw/zinc/17/73/95/605177395.db2.gz KXYWTXXZSYRXML-VXGBXAGGSA-N -2 3 386.474 0.978 20 0 GCADHL Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1=O ZINC000833761164 605269359 /nfs/dbraw/zinc/26/93/59/605269359.db2.gz YUGJUIIZZYPRHX-VIFPVBQESA-N -2 3 399.454 0.044 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn(C)c1 ZINC000819867117 606178334 /nfs/dbraw/zinc/17/83/34/606178334.db2.gz RPLJCMGFRACBOP-QMMMGPOBSA-N -2 3 395.832 0.862 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(C)c1 ZINC000819867117 606178336 /nfs/dbraw/zinc/17/83/36/606178336.db2.gz RPLJCMGFRACBOP-QMMMGPOBSA-N -2 3 395.832 0.862 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000822222499 606178592 /nfs/dbraw/zinc/17/85/92/606178592.db2.gz JJRJHDSLNLGCBY-SNVBAGLBSA-N -2 3 375.414 0.517 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)c1cnn(C)c1 ZINC000822222499 606178594 /nfs/dbraw/zinc/17/85/94/606178594.db2.gz JJRJHDSLNLGCBY-SNVBAGLBSA-N -2 3 375.414 0.517 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000823387256 606179109 /nfs/dbraw/zinc/17/91/09/606179109.db2.gz GTXXCBFJHREVRS-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000823387256 606179110 /nfs/dbraw/zinc/17/91/10/606179110.db2.gz GTXXCBFJHREVRS-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821656182 606205806 /nfs/dbraw/zinc/20/58/06/606205806.db2.gz ZISCKIMUCUNDNH-NEPJUHHUSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821656182 606205807 /nfs/dbraw/zinc/20/58/07/606205807.db2.gz ZISCKIMUCUNDNH-NEPJUHHUSA-N -2 3 393.425 0.651 20 0 GCADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000821941488 606211686 /nfs/dbraw/zinc/21/16/86/606211686.db2.gz HGAVDCUSMHWFSR-UHFFFAOYSA-N -2 3 395.422 0.777 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821426288 606405941 /nfs/dbraw/zinc/40/59/41/606405941.db2.gz BEMMBCUSTVSBAU-UHFFFAOYSA-N -2 3 376.398 0.723 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821426288 606405943 /nfs/dbraw/zinc/40/59/43/606405943.db2.gz BEMMBCUSTVSBAU-UHFFFAOYSA-N -2 3 376.398 0.723 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000822645613 606406147 /nfs/dbraw/zinc/40/61/47/606406147.db2.gz HKASLKJBEKTBOE-UHFFFAOYSA-N -2 3 387.381 0.606 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000822645613 606406149 /nfs/dbraw/zinc/40/61/49/606406149.db2.gz HKASLKJBEKTBOE-UHFFFAOYSA-N -2 3 387.381 0.606 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000822645712 606408254 /nfs/dbraw/zinc/40/82/54/606408254.db2.gz LPJOJNMFAVUPPT-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000822645712 606408256 /nfs/dbraw/zinc/40/82/56/606408256.db2.gz LPJOJNMFAVUPPT-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284084 606465424 /nfs/dbraw/zinc/46/54/24/606465424.db2.gz CDZHKNVKPVAIIR-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284084 606465426 /nfs/dbraw/zinc/46/54/26/606465426.db2.gz CDZHKNVKPVAIIR-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822210669 606709176 /nfs/dbraw/zinc/70/91/76/606709176.db2.gz MKVIBTVRBKQDJQ-UHFFFAOYSA-N -3 3 379.358 0.113 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c2cccnc12 ZINC000821846191 606709263 /nfs/dbraw/zinc/70/92/63/606709263.db2.gz OALQVGFOCRSFTI-UHFFFAOYSA-N -2 3 386.397 0.958 20 0 GCADHL COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821668849 606709270 /nfs/dbraw/zinc/70/92/70/606709270.db2.gz MFPNNKVMBODXOE-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821669550 606709329 /nfs/dbraw/zinc/70/93/29/606709329.db2.gz RAWYUBUZVORFTM-UHFFFAOYSA-N -2 3 381.349 0.327 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)n1 ZINC000822620552 606709601 /nfs/dbraw/zinc/70/96/01/606709601.db2.gz WMXJTSVONYKERE-UHFFFAOYSA-N -2 3 379.793 0.702 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)n1 ZINC000822622774 606710247 /nfs/dbraw/zinc/71/02/47/606710247.db2.gz IKBFLNKPSRINEV-UHFFFAOYSA-N -3 3 377.386 0.418 20 0 GCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821579576 606710628 /nfs/dbraw/zinc/71/06/28/606710628.db2.gz GYMWJOKNTKTYFD-UHFFFAOYSA-N -2 3 376.402 0.103 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821175231 606746024 /nfs/dbraw/zinc/74/60/24/606746024.db2.gz IQCCZZVYUYWUDC-UHFFFAOYSA-N -2 3 380.430 0.320 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175231 606746025 /nfs/dbraw/zinc/74/60/25/606746025.db2.gz IQCCZZVYUYWUDC-UHFFFAOYSA-N -2 3 380.430 0.320 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821175406 606747914 /nfs/dbraw/zinc/74/79/14/606747914.db2.gz LZIUNWYCCDBXBS-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821175406 606747916 /nfs/dbraw/zinc/74/79/16/606747916.db2.gz LZIUNWYCCDBXBS-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823612870 606865964 /nfs/dbraw/zinc/86/59/64/606865964.db2.gz FKPKVHNMJNYUMK-UHFFFAOYSA-N -2 3 392.422 0.392 20 0 GCADHL COCCn1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000821694983 606866246 /nfs/dbraw/zinc/86/62/46/606866246.db2.gz CYLWHXDDIUGDER-UHFFFAOYSA-N -2 3 385.356 0.789 20 0 GCADHL COCCn1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000821694983 606866248 /nfs/dbraw/zinc/86/62/48/606866248.db2.gz CYLWHXDDIUGDER-UHFFFAOYSA-N -2 3 385.356 0.789 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)C ZINC000821665973 606883089 /nfs/dbraw/zinc/88/30/89/606883089.db2.gz OKIDWNOZVYZPSS-JTQLQIEISA-N -2 3 375.357 0.621 20 0 GCADHL COCCOCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821693074 606884580 /nfs/dbraw/zinc/88/45/80/606884580.db2.gz PVMDBKYEVLCNIF-UHFFFAOYSA-N -2 3 377.373 0.476 20 0 GCADHL O=C1CCCN1CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823531129 606885357 /nfs/dbraw/zinc/88/53/57/606885357.db2.gz ZDBBWFNWHURBBU-UHFFFAOYSA-N -2 3 386.384 0.436 20 0 GCADHL O=S(=O)([N-]Cc1nnc2n1CCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583547 606885491 /nfs/dbraw/zinc/88/54/91/606885491.db2.gz SZEWPPYDGDPLCP-UHFFFAOYSA-N -2 3 382.356 0.161 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000820274062 606886214 /nfs/dbraw/zinc/88/62/14/606886214.db2.gz CTNGRZAXFWYCHB-VIFPVBQESA-N -2 3 388.400 0.144 20 0 GCADHL CC[C@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000820853404 606888254 /nfs/dbraw/zinc/88/82/54/606888254.db2.gz LQWIEARKPVCGAT-ZDUSSCGKSA-N -2 3 375.357 0.765 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NC1CCCC1 ZINC000823005439 606889204 /nfs/dbraw/zinc/88/92/04/606889204.db2.gz QUSSTDSKDUYKKV-UHFFFAOYSA-N -2 3 386.384 0.482 20 0 GCADHL COC(=O)[C@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821638926 606892359 /nfs/dbraw/zinc/89/23/59/606892359.db2.gz LFWXRXMGMOHANN-CQSZACIVSA-N -2 3 387.368 0.765 20 0 GCADHL C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820678694 606893610 /nfs/dbraw/zinc/89/36/10/606893610.db2.gz XGIYEDCRNNCBBP-JWKOBGCHSA-N -2 3 398.395 0.433 20 0 GCADHL COCCOC[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821692468 606894124 /nfs/dbraw/zinc/89/41/24/606894124.db2.gz YKCMJNWSHXUVAE-MRVPVSSYSA-N -2 3 377.373 0.475 20 0 GCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822885676 606896023 /nfs/dbraw/zinc/89/60/23/606896023.db2.gz SCZWPYLWOZANMS-UHFFFAOYSA-N -2 3 395.351 0.117 20 0 GCADHL O=S(=O)([N-][C@@H]1CCc2c[nH]nc2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572055 606943891 /nfs/dbraw/zinc/94/38/91/606943891.db2.gz AQHHQBRQPQNLNI-SECBINFHSA-N -2 3 381.368 0.704 20 0 GCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821657234 606952232 /nfs/dbraw/zinc/95/22/32/606952232.db2.gz KPOIVEXGYLIJDL-SSDOTTSWSA-N -2 3 387.805 0.524 20 0 GCADHL COC(=O)C[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821657234 606952233 /nfs/dbraw/zinc/95/22/33/606952233.db2.gz KPOIVEXGYLIJDL-SSDOTTSWSA-N -2 3 387.805 0.524 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820450074 607018866 /nfs/dbraw/zinc/01/88/66/607018866.db2.gz GQIOBCWTKBCAAX-ZWNOBZJWSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820450074 607018868 /nfs/dbraw/zinc/01/88/68/607018868.db2.gz GQIOBCWTKBCAAX-ZWNOBZJWSA-N -2 3 396.429 0.108 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)N1CCCCC1 ZINC000820001329 607080448 /nfs/dbraw/zinc/08/04/48/607080448.db2.gz JIIUBIOZHDFUIN-UHFFFAOYSA-N -2 3 394.457 0.871 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821346787 607098619 /nfs/dbraw/zinc/09/86/19/607098619.db2.gz PUBRGYYIQXAZGX-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821346787 607098621 /nfs/dbraw/zinc/09/86/21/607098621.db2.gz PUBRGYYIQXAZGX-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000820535090 607105875 /nfs/dbraw/zinc/10/58/75/607105875.db2.gz NNANVELVXCJLGG-LLVKDONJSA-N -2 3 375.385 0.726 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000820535090 607105878 /nfs/dbraw/zinc/10/58/78/607105878.db2.gz NNANVELVXCJLGG-LLVKDONJSA-N -2 3 375.385 0.726 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000820541105 607106062 /nfs/dbraw/zinc/10/60/62/607106062.db2.gz BOHYPZKUAIFQMI-LLVKDONJSA-N -2 3 375.385 0.774 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000820541105 607106066 /nfs/dbraw/zinc/10/60/66/607106066.db2.gz BOHYPZKUAIFQMI-LLVKDONJSA-N -2 3 375.385 0.774 20 0 GCADHL Cc1nc(SCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(-c2nnn[n-]2)c(C)c1C ZINC000822453577 607110800 /nfs/dbraw/zinc/11/08/00/607110800.db2.gz LXLLZIVJWBHQQC-LLVKDONJSA-N -2 3 392.441 0.591 20 0 GCADHL Cc1nc(SCC(=O)N2CCO[C@@H](C(=O)[O-])C2)c(-c2nn[n-]n2)c(C)c1C ZINC000822453577 607110802 /nfs/dbraw/zinc/11/08/02/607110802.db2.gz LXLLZIVJWBHQQC-LLVKDONJSA-N -2 3 392.441 0.591 20 0 GCADHL Cn1c2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)ccc2[nH]c1=O ZINC000826354458 607776738 /nfs/dbraw/zinc/77/67/38/607776738.db2.gz FIEHMUGMZOKDDH-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL Cn1c2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)ccc2[nH]c1=O ZINC000826354458 607776739 /nfs/dbraw/zinc/77/67/39/607776739.db2.gz FIEHMUGMZOKDDH-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)c3ccc(-c4nnn[n-]4)[nH]3)cn2)c1 ZINC000826308589 607779707 /nfs/dbraw/zinc/77/97/07/607779707.db2.gz HBZSXCUMAOYPPM-UHFFFAOYSA-N -2 3 399.396 0.203 20 0 GCADHL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)c3ccc(-c4nn[n-]n4)[nH]3)cn2)c1 ZINC000826308589 607779708 /nfs/dbraw/zinc/77/97/08/607779708.db2.gz HBZSXCUMAOYPPM-UHFFFAOYSA-N -2 3 399.396 0.203 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(C)c1C(=O)[O-] ZINC000826292721 607809489 /nfs/dbraw/zinc/80/94/89/607809489.db2.gz JFGYDMGPCROIPX-UHFFFAOYSA-N -3 3 377.386 0.716 20 0 GCADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000826261193 607809628 /nfs/dbraw/zinc/80/96/28/607809628.db2.gz VHLAFGNRGUZWKB-UHFFFAOYSA-N -3 3 381.349 0.547 20 0 GCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826419271 607925498 /nfs/dbraw/zinc/92/54/98/607925498.db2.gz QMIHMCITEDSDAD-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826419271 607925499 /nfs/dbraw/zinc/92/54/99/607925499.db2.gz QMIHMCITEDSDAD-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825658870 607937347 /nfs/dbraw/zinc/93/73/47/607937347.db2.gz LFESKDOOJUHJNK-SSDOTTSWSA-N -2 3 395.413 0.246 20 0 GCADHL CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000825865446 608010090 /nfs/dbraw/zinc/01/00/90/608010090.db2.gz FNFBPYYCRZQYJB-UHFFFAOYSA-N -2 3 388.837 0.157 20 0 GCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826461494 608010772 /nfs/dbraw/zinc/01/07/72/608010772.db2.gz XHOQXEMEBUOGSF-SSDOTTSWSA-N -2 3 391.331 0.981 20 0 GCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826461494 608010773 /nfs/dbraw/zinc/01/07/73/608010773.db2.gz XHOQXEMEBUOGSF-SSDOTTSWSA-N -2 3 391.331 0.981 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000825914591 608011200 /nfs/dbraw/zinc/01/12/00/608011200.db2.gz KXDCVHGQHIMROG-UHFFFAOYSA-N -2 3 390.219 0.724 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826461426 608012039 /nfs/dbraw/zinc/01/20/39/608012039.db2.gz UMIDTXNLFSUMCE-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826461426 608012040 /nfs/dbraw/zinc/01/20/40/608012040.db2.gz UMIDTXNLFSUMCE-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2ccnn2)cc1 ZINC000826450685 608039328 /nfs/dbraw/zinc/03/93/28/608039328.db2.gz YNHDDBHUZASDRK-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccnn2)cc1 ZINC000826450685 608039329 /nfs/dbraw/zinc/03/93/29/608039329.db2.gz YNHDDBHUZASDRK-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824737644 608076076 /nfs/dbraw/zinc/07/60/76/608076076.db2.gz JQVCSVCLWFLCPO-MNOVXSKESA-N -2 3 381.414 0.117 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826420708 608076593 /nfs/dbraw/zinc/07/65/93/608076593.db2.gz YNNWDKRYZJKXBT-GFCCVEGCSA-N -2 3 397.482 0.582 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000826420708 608076594 /nfs/dbraw/zinc/07/65/94/608076594.db2.gz YNNWDKRYZJKXBT-GFCCVEGCSA-N -2 3 397.482 0.582 20 0 GCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492801 608101256 /nfs/dbraw/zinc/10/12/56/608101256.db2.gz DZOJNSHTIVCTNE-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492801 608101257 /nfs/dbraw/zinc/10/12/57/608101257.db2.gz DZOJNSHTIVCTNE-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826365230 608101437 /nfs/dbraw/zinc/10/14/37/608101437.db2.gz GDLFMAIAESIWKA-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826365230 608101438 /nfs/dbraw/zinc/10/14/38/608101438.db2.gz GDLFMAIAESIWKA-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CO1 ZINC000824811716 608472776 /nfs/dbraw/zinc/47/27/76/608472776.db2.gz ACEXXCYGKCKUGM-UHFFFAOYSA-N -2 3 381.414 0.461 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CO1 ZINC000824811716 608472778 /nfs/dbraw/zinc/47/27/78/608472778.db2.gz ACEXXCYGKCKUGM-UHFFFAOYSA-N -2 3 381.414 0.461 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC000824812727 608473022 /nfs/dbraw/zinc/47/30/22/608473022.db2.gz OWVKXSFNNICIRX-UHFFFAOYSA-N -2 3 381.414 0.461 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC000824812727 608473023 /nfs/dbraw/zinc/47/30/23/608473023.db2.gz OWVKXSFNNICIRX-UHFFFAOYSA-N -2 3 381.414 0.461 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825492991 608473438 /nfs/dbraw/zinc/47/34/38/608473438.db2.gz JFDSAMBACNAGKE-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825492991 608473439 /nfs/dbraw/zinc/47/34/39/608473439.db2.gz JFDSAMBACNAGKE-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OC1CCCC1 ZINC000824633480 608476068 /nfs/dbraw/zinc/47/60/68/608476068.db2.gz ONBMJJSBJSMPGT-JTQLQIEISA-N -2 3 380.430 0.524 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC1CCCC1 ZINC000824633480 608476070 /nfs/dbraw/zinc/47/60/70/608476070.db2.gz ONBMJJSBJSMPGT-JTQLQIEISA-N -2 3 380.430 0.524 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826450439 609147267 /nfs/dbraw/zinc/14/72/67/609147267.db2.gz MIEGZRNITSSUKP-YUSALJHKSA-N -2 3 383.817 0.750 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000826450439 609147269 /nfs/dbraw/zinc/14/72/69/609147269.db2.gz MIEGZRNITSSUKP-YUSALJHKSA-N -2 3 383.817 0.750 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824744313 609161106 /nfs/dbraw/zinc/16/11/06/609161106.db2.gz ADAXPCFYTBMHQJ-QWRGUYRKSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824744313 609161108 /nfs/dbraw/zinc/16/11/08/609161108.db2.gz ADAXPCFYTBMHQJ-QWRGUYRKSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000824280847 609398202 /nfs/dbraw/zinc/39/82/02/609398202.db2.gz WOYUEIDQMMAFTL-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000824280847 609398205 /nfs/dbraw/zinc/39/82/05/609398205.db2.gz WOYUEIDQMMAFTL-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL Cc1cc(Br)c([O-])c(NC(=O)Cn2cnc(-c3nnn[n-]3)n2)c1 ZINC000826256284 609399270 /nfs/dbraw/zinc/39/92/70/609399270.db2.gz BILGRDCUXQEBQQ-UHFFFAOYSA-N -2 3 379.178 0.873 20 0 GCADHL Cc1cc(Br)c([O-])c(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)c1 ZINC000826256284 609399272 /nfs/dbraw/zinc/39/92/72/609399272.db2.gz BILGRDCUXQEBQQ-UHFFFAOYSA-N -2 3 379.178 0.873 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000826162555 609469534 /nfs/dbraw/zinc/46/95/34/609469534.db2.gz ICOZKTBOETZTQT-UHFFFAOYSA-N -2 3 379.402 0.426 20 0 GCADHL Cc1onc(CC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)c1-c1nnn[n-]1 ZINC000826348566 609471579 /nfs/dbraw/zinc/47/15/79/609471579.db2.gz STIIGKLHEDMPIW-UHFFFAOYSA-N -2 3 395.376 0.855 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(C)o1 ZINC000261899179 638495565 /nfs/dbraw/zinc/49/55/65/638495565.db2.gz AEHDDXHVOJKNQX-RKDXNWHRSA-N -2 3 384.332 0.831 20 0 GCADHL O=C([O-])[C@@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000261761648 638667523 /nfs/dbraw/zinc/66/75/23/638667523.db2.gz ICBZDLNADITPFN-SSDOTTSWSA-N -2 3 397.272 0.722 20 0 GCADHL C[C@](O)(CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000262548529 639109983 /nfs/dbraw/zinc/10/99/83/639109983.db2.gz SQFDMYDOMOWEAV-ZDUSSCGKSA-N -2 3 399.252 0.614 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC000899919735 639278133 /nfs/dbraw/zinc/27/81/33/639278133.db2.gz WGNVNQTVFVBKIK-YFKPBYRVSA-N -2 3 391.208 0.731 20 0 GCADHL C[C@@H]1C(=O)N([N-]C(=O)c2ccc(I)cc2[O-])C(=O)N1C ZINC000912817157 639555216 /nfs/dbraw/zinc/55/52/16/639555216.db2.gz ONGFKBVYUNSYBT-ZCFIWIBFSA-N -2 3 389.149 0.924 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(CCCl)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000055575886 639587766 /nfs/dbraw/zinc/58/77/66/639587766.db2.gz TXSDBBLHUWVNIY-NSHDSACASA-N -2 3 380.875 0.212 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2)c(F)c1 ZINC000057115710 639593095 /nfs/dbraw/zinc/59/30/95/639593095.db2.gz LSMGOVSHJUAMLR-UHFFFAOYSA-N -2 3 387.414 0.821 20 0 GCADHL Cc1cc(C)c(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000057124921 639593172 /nfs/dbraw/zinc/59/31/72/639593172.db2.gz QUEWMHFSRRWHDA-LBPRGKRZSA-N -2 3 375.472 0.291 20 0 GCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000063877977 639639675 /nfs/dbraw/zinc/63/96/75/639639675.db2.gz CVWWNFOVBBTLLZ-UHFFFAOYSA-N -2 3 393.487 0.403 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2C[C@@]23CCOC3)cc1F ZINC000764783206 640654755 /nfs/dbraw/zinc/65/47/55/640654755.db2.gz JIIXRUPCVMULHN-QMTHXVAHSA-N -2 3 392.430 0.429 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@]23CCOC3)cc1F ZINC000764783204 640654973 /nfs/dbraw/zinc/65/49/73/640654973.db2.gz JIIXRUPCVMULHN-HZMBPMFUSA-N -2 3 392.430 0.429 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O ZINC000776438009 641095578 /nfs/dbraw/zinc/09/55/78/641095578.db2.gz QNWZWVDRKSUXBP-CDUCUWFYSA-N -2 3 386.195 0.709 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1F ZINC000776437586 641095672 /nfs/dbraw/zinc/09/56/72/641095672.db2.gz SXJSYLFUVZUHKS-ZETCQYMHSA-N -3 3 381.309 0.348 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000776495220 641097952 /nfs/dbraw/zinc/09/79/52/641097952.db2.gz BEBIYUQMFDMJEE-SNVBAGLBSA-N -2 3 388.789 0.359 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000776504426 641098462 /nfs/dbraw/zinc/09/84/62/641098462.db2.gz UKCVHRDENQYLDX-XVKPBYJWSA-N -2 3 378.790 0.290 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1F ZINC000776503681 641098569 /nfs/dbraw/zinc/09/85/69/641098569.db2.gz QOXCBGBWFDNNBP-KRTXAFLBSA-N -2 3 379.337 0.519 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000776596263 641105638 /nfs/dbraw/zinc/10/56/38/641105638.db2.gz JARHGIHJSKDVBR-NWDGAFQWSA-N -2 3 386.407 0.395 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCSC2)cc1F ZINC000784896137 641297077 /nfs/dbraw/zinc/29/70/77/641297077.db2.gz IQGLCOCIEURMGZ-MRVPVSSYSA-N -2 3 382.460 0.755 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCCO2)cc1F ZINC000784896826 641297396 /nfs/dbraw/zinc/29/73/96/641297396.db2.gz OKQZDPZBBACFII-LBPRGKRZSA-N -2 3 380.419 0.571 20 0 GCADHL COCCC1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000784898114 641297830 /nfs/dbraw/zinc/29/78/30/641297830.db2.gz VSIVWBYOLUFFNZ-UHFFFAOYSA-N -2 3 394.446 0.819 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cncc(F)c2)cc1F ZINC000784899324 641298677 /nfs/dbraw/zinc/29/86/77/641298677.db2.gz WKDWEYVVAOPDEN-UHFFFAOYSA-N -2 3 391.377 0.850 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(C)=O)C(=O)[O-])c(C(=O)OC)s1 ZINC000787934461 641358986 /nfs/dbraw/zinc/35/89/86/641358986.db2.gz IARALVKYZHBACQ-ZETCQYMHSA-N -2 3 393.395 0.032 20 0 GCADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)CC(=O)[O-] ZINC000788694307 641376121 /nfs/dbraw/zinc/37/61/21/641376121.db2.gz OUCZVWSTNPWNMP-ZCFIWIBFSA-N -2 3 391.876 0.573 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3cccnc23)C(=O)[O-])nc1Cl ZINC000799744630 641612143 /nfs/dbraw/zinc/61/21/43/641612143.db2.gz ODDLTMCQCBGKJY-SNVBAGLBSA-N -2 3 383.817 0.924 20 0 GCADHL CS(=O)(=O)c1ccc(Br)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000820282684 641955828 /nfs/dbraw/zinc/95/58/28/641955828.db2.gz QBHWLANWCOJEAN-UHFFFAOYSA-N -2 3 377.176 0.239 20 0 GCADHL O=C1COc2ccc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc2N1 ZINC000823541050 642028155 /nfs/dbraw/zinc/02/81/55/642028155.db2.gz LVEQLNLAZQCLCJ-UHFFFAOYSA-N -2 3 379.383 0.455 20 0 GCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(-n2cnnn2)cc1 ZINC000823588990 642028692 /nfs/dbraw/zinc/02/86/92/642028692.db2.gz GZNKLQKYEOCSJG-UHFFFAOYSA-N -2 3 376.387 0.100 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCNC2=O)c(F)c1 ZINC000831201058 642158579 /nfs/dbraw/zinc/15/85/79/642158579.db2.gz OZAJZDZKAFTNBL-UHFFFAOYSA-N -2 3 394.450 0.586 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000837291797 642270101 /nfs/dbraw/zinc/27/01/01/642270101.db2.gz RRVFXWZGOIHFPO-QMMMGPOBSA-N -2 3 379.822 0.991 20 0 GCADHL NC(=O)[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000840895654 642287712 /nfs/dbraw/zinc/28/77/12/642287712.db2.gz QNLSTXWCPVCFPO-RITPCOANSA-N -2 3 381.204 0.673 20 0 GCADHL CCO[N-]C(=O)CNC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000846498239 642489548 /nfs/dbraw/zinc/48/95/48/642489548.db2.gz RYNWGDFWUIPUKF-UHFFFAOYSA-N -2 3 398.268 0.846 20 0 GCADHL CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000848964280 642598478 /nfs/dbraw/zinc/59/84/78/642598478.db2.gz NACZACLHSSLKEX-VIFPVBQESA-N -2 3 397.500 0.146 20 0 GCADHL COC1CC(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000860614241 643039037 /nfs/dbraw/zinc/03/90/37/643039037.db2.gz IQXLRTHSLWJFHB-UHFFFAOYSA-N -2 3 380.419 0.427 20 0 GCADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000389810316 677370789 /nfs/dbraw/zinc/37/07/89/677370789.db2.gz FBIHOYWCMVHQNT-UHFFFAOYSA-N -2 3 375.204 0.754 20 0 GCADHL CN1CCc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc2C1=O ZINC000471199220 1184412903 /nfs/dbraw/zinc/41/29/03/1184412903.db2.gz NJCIPXAPUKDGLJ-UHFFFAOYSA-N -2 3 385.401 0.999 20 0 GCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)[O-])O3)n1 ZINC000656180432 1185170832 /nfs/dbraw/zinc/17/08/32/1185170832.db2.gz KEJYUADWFYAODL-GFCCVEGCSA-N -2 3 381.414 0.295 20 0 GCADHL O=C([O-])Cn1cc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)CCC(=O)N3)nn1 ZINC000581107123 1185500688 /nfs/dbraw/zinc/50/06/88/1185500688.db2.gz FBAMCQKQLNVBMH-UHFFFAOYSA-N -2 3 399.816 0.379 20 0 GCADHL O=C([O-])C(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21 ZINC001143415252 1186160115 /nfs/dbraw/zinc/16/01/15/1186160115.db2.gz GGWZKBSTFQUGMH-UHFFFAOYSA-N -4 3 391.335 0.062 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC1(C(=O)[O-])CCSCC1 ZINC000262218278 1186754047 /nfs/dbraw/zinc/75/40/47/1186754047.db2.gz SWIGEYMWAUYJEM-VIFPVBQESA-N -2 3 391.471 0.425 20 0 GCADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C(=O)[O-])n1 ZINC000583309529 1186823035 /nfs/dbraw/zinc/82/30/35/1186823035.db2.gz NDRNPHYTTGBOPS-NSHDSACASA-N -2 3 398.372 0.505 20 0 GCADHL COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000643848324 1187072215 /nfs/dbraw/zinc/07/22/15/1187072215.db2.gz AYABYSIABXQJJS-BONVTDFDSA-N -2 3 389.430 0.050 20 0 GCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)NCC(N)=O)c2)c1 ZINC000435504257 1194939810 /nfs/dbraw/zinc/93/98/10/1194939810.db2.gz GURIXXRETCJFIH-UHFFFAOYSA-N -2 3 394.409 0.808 20 0 GCADHL Cc1noc(C[N-]S(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000521882314 1196022550 /nfs/dbraw/zinc/02/25/50/1196022550.db2.gz DNZLXYSXWCXBHI-JTQLQIEISA-N -2 3 380.382 0.294 20 0 GCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000522929338 1196368083 /nfs/dbraw/zinc/36/80/83/1196368083.db2.gz OERHGGQODLGFOP-UHFFFAOYSA-N -2 3 380.412 0.782 20 0 GCADHL Cc1cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000524817571 1196627046 /nfs/dbraw/zinc/62/70/46/1196627046.db2.gz KXUPORLPPHLBRH-LBPRGKRZSA-N -2 3 375.429 0.831 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)C(N)=O)c2)cc1C(=O)[O-] ZINC000509393027 1200991484 /nfs/dbraw/zinc/99/14/84/1200991484.db2.gz WDPCIBCOULGOPC-UHFFFAOYSA-N -2 3 393.377 0.618 20 0 GCADHL Cc1onc(N)c1S(=O)(=O)[N-]C1CCN(c2cc(C(=O)[O-])ccn2)CC1 ZINC000580557261 1201149337 /nfs/dbraw/zinc/14/93/37/1201149337.db2.gz MDOQKIUVIDZUPF-UHFFFAOYSA-N -2 3 381.414 0.606 20 0 GCADHL O=C([N-]C[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1)C(F)(F)F ZINC000812279867 1205663198 /nfs/dbraw/zinc/66/31/98/1205663198.db2.gz VGUBWCIRTAPWOH-MRVPVSSYSA-N -2 3 399.329 0.967 20 0 GCADHL O=C([N-]C[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1)C(F)(F)F ZINC000812279868 1205663270 /nfs/dbraw/zinc/66/32/70/1205663270.db2.gz VGUBWCIRTAPWOH-QMMMGPOBSA-N -2 3 399.329 0.967 20 0 GCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](Cc2nnn[n-]2)C1 ZINC001177866929 1205777533 /nfs/dbraw/zinc/77/75/33/1205777533.db2.gz SZSASQWWFIYJDK-ZDUSSCGKSA-N -2 3 394.439 0.677 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCCCP(=O)([O-])[O-])C[C@H](O)C1 ZINC001178665599 1205791588 /nfs/dbraw/zinc/79/15/88/1205791588.db2.gz UGFOFJLQBPKPRH-NEPJUHHUSA-N -2 3 380.378 0.678 20 0 GCADHL CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178748828 1205793567 /nfs/dbraw/zinc/79/35/67/1205793567.db2.gz GZEOGYRBURRAPB-RYUDHWBXSA-N -2 3 380.378 0.678 20 0 GCADHL CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178748827 1205793601 /nfs/dbraw/zinc/79/36/01/1205793601.db2.gz GZEOGYRBURRAPB-NWDGAFQWSA-N -2 3 380.378 0.678 20 0 GCADHL CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCCP(=O)([O-])[O-])CC1 ZINC001180795311 1205832416 /nfs/dbraw/zinc/83/24/16/1205832416.db2.gz WAMICSIAHVVLFI-UHFFFAOYSA-N -2 3 379.394 0.613 20 0 GCADHL COC(=O)[C@H](CCC(=O)NCCCCP(=O)([O-])[O-])NC(=O)OC(C)(C)C ZINC001181117098 1205838772 /nfs/dbraw/zinc/83/87/72/1205838772.db2.gz NGNVZHGQLLWZIX-NSHDSACASA-N -2 3 396.377 0.907 20 0 GCADHL O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567019 1205924311 /nfs/dbraw/zinc/92/43/11/1205924311.db2.gz WEYYUWDNWHFHFC-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567019 1205924313 /nfs/dbraw/zinc/92/43/13/1205924313.db2.gz WEYYUWDNWHFHFC-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1OC ZINC001185572662 1205924355 /nfs/dbraw/zinc/92/43/55/1205924355.db2.gz FFZYOQDDASHSNP-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)nn1C ZINC001185573946 1205924365 /nfs/dbraw/zinc/92/43/65/1205924365.db2.gz QQLVGDAUUAPYMY-UHFFFAOYSA-N -2 3 376.402 0.062 20 0 GCADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)nn1C ZINC001185573946 1205924366 /nfs/dbraw/zinc/92/43/66/1205924366.db2.gz QQLVGDAUUAPYMY-UHFFFAOYSA-N -2 3 376.402 0.062 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1C ZINC001185568815 1205924401 /nfs/dbraw/zinc/92/44/01/1205924401.db2.gz YUDYIPUKOASEEX-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1C ZINC001185568815 1205924402 /nfs/dbraw/zinc/92/44/02/1205924402.db2.gz YUDYIPUKOASEEX-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC001185628824 1205926144 /nfs/dbraw/zinc/92/61/44/1205926144.db2.gz WKCNQRVORSJBHY-CQSZACIVSA-N -2 3 388.409 0.844 20 0 GCADHL CCOCCS(=O)(=O)[N-]c1ncc(S(=O)(=O)[O-])cc1Br ZINC001187246814 1205958143 /nfs/dbraw/zinc/95/81/43/1205958143.db2.gz WVYXXUFMUKZNMB-UHFFFAOYSA-N -2 3 389.249 0.869 20 0 GCADHL C[C@H]1[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)N1S(=O)(=O)[O-] ZINC001188087969 1205975339 /nfs/dbraw/zinc/97/53/39/1205975339.db2.gz OERZHDDLIGDHDQ-FFWSUHOLSA-N -2 3 390.226 0.069 20 0 GCADHL O=c1nc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)[n-]o1 ZINC001189812239 1206016307 /nfs/dbraw/zinc/01/63/07/1206016307.db2.gz SDAUYLHPIKFDGS-UHFFFAOYSA-N -2 3 383.611 0.695 20 0 GCADHL CCOC(=O)c1ncc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])[n-]1 ZINC001191016531 1206052879 /nfs/dbraw/zinc/05/28/79/1206052879.db2.gz CYNBMYCOTITKFV-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL CCOC(=O)c1nc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])c[n-]1 ZINC001191016531 1206052881 /nfs/dbraw/zinc/05/28/81/1206052881.db2.gz CYNBMYCOTITKFV-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737915671 945150601 /nfs/dbraw/zinc/15/06/01/945150601.db2.gz MFYRUSOKUXQIGL-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737915671 945150607 /nfs/dbraw/zinc/15/06/07/945150607.db2.gz MFYRUSOKUXQIGL-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL CNC(=O)CC[C@@H]1CCCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001571260684 945423366 /nfs/dbraw/zinc/42/33/66/945423366.db2.gz ZFSTUPACNBXSCY-LBPRGKRZSA-N -2 3 385.432 0.496 20 0 GCADHL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc2C1=O ZINC000821620310 945748501 /nfs/dbraw/zinc/74/85/01/945748501.db2.gz FIYWTAKEBFCULN-UHFFFAOYSA-N -2 3 391.394 0.350 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824280394 946644990 /nfs/dbraw/zinc/64/49/90/946644990.db2.gz LYTQYJPTIMVGJX-UHFFFAOYSA-N -2 3 389.441 0.767 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824280394 946644991 /nfs/dbraw/zinc/64/49/91/946644991.db2.gz LYTQYJPTIMVGJX-UHFFFAOYSA-N -2 3 389.441 0.767 20 0 GCADHL CN(C)c1nccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000825888548 947359765 /nfs/dbraw/zinc/35/97/65/947359765.db2.gz RJZLDIAOJDSCJE-UHFFFAOYSA-N -2 3 396.383 0.479 20 0 GCADHL COC(=O)C1(c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2)CC1 ZINC000826128504 947441421 /nfs/dbraw/zinc/44/14/21/947441421.db2.gz DXYYEQCXZMXYLP-UHFFFAOYSA-N -2 3 389.397 0.595 20 0 GCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000826148783 947476267 /nfs/dbraw/zinc/47/62/67/947476267.db2.gz QVTZGMBXEJZKPM-MRXNPFEDSA-N -2 3 379.373 0.250 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nnn[n-]2)c(C)o1 ZINC000826272436 947790252 /nfs/dbraw/zinc/79/02/52/947790252.db2.gz JLNJXLXVUYCQAO-UHFFFAOYSA-N -2 3 377.382 0.960 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nn[n-]n2)c(C)o1 ZINC000826272436 947790267 /nfs/dbraw/zinc/79/02/67/947790267.db2.gz JLNJXLXVUYCQAO-UHFFFAOYSA-N -2 3 377.382 0.960 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000826279565 947804755 /nfs/dbraw/zinc/80/47/55/947804755.db2.gz UUHVINPPUIMMRB-ZYHUDNBSSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@H](C)C1 ZINC000826279565 947804767 /nfs/dbraw/zinc/80/47/67/947804767.db2.gz UUHVINPPUIMMRB-ZYHUDNBSSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1nc(SCC(=O)N[C@]2(C(=O)[O-])CCOC2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327853 947955222 /nfs/dbraw/zinc/95/52/22/947955222.db2.gz WQAWQEDGADMEIY-MRXNPFEDSA-N -2 3 392.441 0.639 20 0 GCADHL Cc1nc(SCC(=O)N[C@]2(C(=O)[O-])CCOC2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327853 947955233 /nfs/dbraw/zinc/95/52/33/947955233.db2.gz WQAWQEDGADMEIY-MRXNPFEDSA-N -2 3 392.441 0.639 20 0 GCADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000826366894 948146048 /nfs/dbraw/zinc/14/60/48/948146048.db2.gz CIEORTJMORASEY-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450409 948315618 /nfs/dbraw/zinc/31/56/18/948315618.db2.gz KZIMKCUGRUWWDU-UHFFFAOYSA-N -2 3 390.381 0.475 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450409 948315629 /nfs/dbraw/zinc/31/56/29/948315629.db2.gz KZIMKCUGRUWWDU-UHFFFAOYSA-N -2 3 390.381 0.475 20 0 GCADHL O=C([O-])c1cnc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC001595268411 949792101 /nfs/dbraw/zinc/79/21/01/949792101.db2.gz ZPJIGRDDPMESFL-UHFFFAOYSA-N -2 3 390.830 0.598 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900693 950206303 /nfs/dbraw/zinc/20/63/03/950206303.db2.gz HLYZKYKWEOFQDV-ONGXEEELSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900693 950206320 /nfs/dbraw/zinc/20/63/20/950206320.db2.gz HLYZKYKWEOFQDV-ONGXEEELSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901016 950209866 /nfs/dbraw/zinc/20/98/66/950209866.db2.gz JXOFXIJWWVHZNH-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901016 950209881 /nfs/dbraw/zinc/20/98/81/950209881.db2.gz JXOFXIJWWVHZNH-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574529994 950966716 /nfs/dbraw/zinc/96/67/16/950966716.db2.gz SEBZEMAIFDMVJH-UWVGGRQHSA-N -2 3 384.400 0.622 20 0 GCADHL O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001595086160 951730077 /nfs/dbraw/zinc/73/00/77/951730077.db2.gz HHZXMRCEUIULMP-QWRGUYRKSA-N -2 3 393.362 0.227 20 0 GCADHL O=C([O-])Cn1cccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1=O ZINC001595155276 952162067 /nfs/dbraw/zinc/16/20/67/952162067.db2.gz VFQCTRRTAOFQIE-UHFFFAOYSA-N -2 3 385.376 0.237 20 0 GCADHL C[C@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153185 952206480 /nfs/dbraw/zinc/20/64/80/952206480.db2.gz DTPOZRRCBVHZLC-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153185 952206483 /nfs/dbraw/zinc/20/64/83/952206483.db2.gz DTPOZRRCBVHZLC-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173896 952360319 /nfs/dbraw/zinc/36/03/19/952360319.db2.gz CJNUFRWKKRYRCT-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173896 952360325 /nfs/dbraw/zinc/36/03/25/952360325.db2.gz CJNUFRWKKRYRCT-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nnn[n-]2)n1)c1ccccc1[O-] ZINC001571135945 952611256 /nfs/dbraw/zinc/61/12/56/952611256.db2.gz IYEIWCIHRMDXPI-RTXFEEFZSA-N -2 3 378.396 0.902 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21 ZINC001571138967 952618568 /nfs/dbraw/zinc/61/85/68/952618568.db2.gz AHXPLPCKRHIPNO-WDEREUQCSA-N -2 3 379.384 0.108 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21 ZINC001571138967 952618571 /nfs/dbraw/zinc/61/85/71/952618571.db2.gz AHXPLPCKRHIPNO-WDEREUQCSA-N -2 3 379.384 0.108 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001571140009 952622207 /nfs/dbraw/zinc/62/22/07/952622207.db2.gz NBDMXOPRUGKWEW-FOGDFJRCSA-N -2 3 379.384 0.297 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001571140009 952622213 /nfs/dbraw/zinc/62/22/13/952622213.db2.gz NBDMXOPRUGKWEW-FOGDFJRCSA-N -2 3 379.384 0.297 20 0 GCADHL C[C@@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170686 952788511 /nfs/dbraw/zinc/78/85/11/952788511.db2.gz KPANIXCODDWQGM-MNOVXSKESA-N -2 3 381.400 0.863 20 0 GCADHL C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170686 952788516 /nfs/dbraw/zinc/78/85/16/952788516.db2.gz KPANIXCODDWQGM-MNOVXSKESA-N -2 3 381.400 0.863 20 0 GCADHL C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571171047 952790242 /nfs/dbraw/zinc/79/02/42/952790242.db2.gz MLUCFEBIIUUYNS-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571171047 952790245 /nfs/dbraw/zinc/79/02/45/952790245.db2.gz MLUCFEBIIUUYNS-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nnn[n-]2)CC1)c1ncccc1[O-] ZINC001571175938 952828325 /nfs/dbraw/zinc/82/83/25/952828325.db2.gz IVLCMBAVFUOAJM-XYPYZODXSA-N -2 3 381.400 0.910 20 0 GCADHL O=C(N[C@H]1CC[C@H](Nc2nccnc2-c2nn[n-]n2)CC1)c1ncccc1[O-] ZINC001571175938 952828333 /nfs/dbraw/zinc/82/83/33/952828333.db2.gz IVLCMBAVFUOAJM-XYPYZODXSA-N -2 3 381.400 0.910 20 0 GCADHL O=C(c1ncccc1[O-])N1CCCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571178311 952838388 /nfs/dbraw/zinc/83/83/88/952838388.db2.gz FVFOHBKNAQRXHQ-LLVKDONJSA-N -2 3 381.400 0.286 20 0 GCADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1noc(C)n1 ZINC000577950323 953698096 /nfs/dbraw/zinc/69/80/96/953698096.db2.gz BZGOMVCHHGXUPV-GXTWGEPZSA-N -2 3 396.425 0.859 20 0 GCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)C1 ZINC000653462006 954178774 /nfs/dbraw/zinc/17/87/74/954178774.db2.gz OXZNVGVLFHURNC-LLVKDONJSA-N -2 3 385.376 0.108 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)C1 ZINC001594898889 954598778 /nfs/dbraw/zinc/59/87/78/954598778.db2.gz UHZUPUIXZPXRQQ-NSHDSACASA-N -2 3 376.413 0.152 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCC[C@H](OC)C1 ZINC001593810841 954936281 /nfs/dbraw/zinc/93/62/81/954936281.db2.gz HZQLZNURYWPUFZ-ZDEQEGDKSA-N -2 3 378.447 0.117 20 0 GCADHL C[C@H](CC(=O)[O-])NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001589002589 955341859 /nfs/dbraw/zinc/34/18/59/955341859.db2.gz VYFNFUVKDDYHRG-MRVPVSSYSA-N -2 3 381.813 0.920 20 0 GCADHL Cn1ncc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c1Br ZINC001594586395 956001599 /nfs/dbraw/zinc/00/15/99/956001599.db2.gz LHCVTMMOGAXGEG-VIFPVBQESA-N -2 3 389.231 0.552 20 0 GCADHL Cn1ncc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1I ZINC001594587144 956010416 /nfs/dbraw/zinc/01/04/16/956010416.db2.gz WOCIZCQOYPXMIU-UHFFFAOYSA-N -2 3 399.210 0.558 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000389254756 972215597 /nfs/dbraw/zinc/21/55/97/972215597.db2.gz DROMFCOBNUVDJS-CYBMUJFWSA-N -2 3 380.426 0.287 20 0 GCADHL O=C([O-])c1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)ccc1O ZINC001594714461 956911214 /nfs/dbraw/zinc/91/12/14/956911214.db2.gz HRQIUWMYHAIXBK-UHFFFAOYSA-N -2 3 384.142 0.754 20 0 GCADHL COc1cc2[n-]cc(C(=O)N3C[C@H]4COC[C@@]4(C(=O)[O-])C3)c(=O)c2c(OC)c1 ZINC001594067148 958142183 /nfs/dbraw/zinc/14/21/83/958142183.db2.gz AAROKSQWDQZVBK-OVWNDWIMSA-N -2 3 388.376 0.719 20 0 GCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001594226073 959427150 /nfs/dbraw/zinc/42/71/50/959427150.db2.gz HHBXMMVNZXTGCB-CLAHSXSESA-N -2 3 378.809 0.984 20 0 GCADHL CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001588659291 960429196 /nfs/dbraw/zinc/42/91/96/960429196.db2.gz LLVOBYXNFJRDKW-HBNTYKKESA-N -2 3 379.379 0.982 20 0 GCADHL CC(C)(C)N1CC[C@@H]1C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC001588659294 960429215 /nfs/dbraw/zinc/42/92/15/960429215.db2.gz LLVOBYXNFJRDKW-MXWKQRLJSA-N -2 3 379.379 0.982 20 0 GCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCOC1 ZINC001259226656 960694183 /nfs/dbraw/zinc/69/41/83/960694183.db2.gz XGYOBGLCCIANDS-CYBMUJFWSA-N -2 3 381.765 0.788 20 0 GCADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOCCOCC(=O)[O-] ZINC001574446719 961454635 /nfs/dbraw/zinc/45/46/35/961454635.db2.gz XIJDMTHVVZXLCL-UHFFFAOYSA-N -2 3 378.385 0.399 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C[C@@H]2C(=O)[O-] ZINC001574048323 962141270 /nfs/dbraw/zinc/14/12/70/962141270.db2.gz QIBGKTVNJLEXSH-CDJSEDBCSA-N -2 3 386.360 0.296 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)c1ccc3c(c1)C(=O)[N-]C3=O)C[C@H]2C(=O)[O-] ZINC001574048324 962141576 /nfs/dbraw/zinc/14/15/76/962141576.db2.gz QIBGKTVNJLEXSH-QXBOJUHISA-N -2 3 386.360 0.296 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCCOCC(=O)[O-])CCCC1 ZINC000263396165 962556916 /nfs/dbraw/zinc/55/69/16/962556916.db2.gz DOLCJZIWWVAVSR-UHFFFAOYSA-N -2 3 389.430 0.100 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])ccc1F ZINC001604248509 972770643 /nfs/dbraw/zinc/77/06/43/972770643.db2.gz CGKPPAYIRYJJFR-AWEZNQCLSA-N -2 3 396.396 0.865 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@@H]1CCC[C@@H](OC)C1 ZINC001604272155 972832144 /nfs/dbraw/zinc/83/21/44/972832144.db2.gz QWZYIRNLPOTCNC-MGPQQGTHSA-N -2 3 392.474 0.364 20 0 GCADHL Cn1cc([C@@H]2C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)cn1 ZINC001605490684 973643660 /nfs/dbraw/zinc/64/36/60/973643660.db2.gz LJBNGLZSGZSBTM-ZIAGYGMSSA-N -2 3 386.408 0.572 20 0 GCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC001606388304 973837874 /nfs/dbraw/zinc/83/78/74/973837874.db2.gz MBKAKIOCKSGPGX-AGIUHOORSA-N -2 3 396.387 0.904 20 0 GCADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000436478711 974101223 /nfs/dbraw/zinc/10/12/23/974101223.db2.gz NXOWQGIPBIFYLI-UHFFFAOYSA-N -2 3 384.410 0.729 20 0 GCADHL C[C@@H](CC(=O)NC1(CC(=O)[O-])CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592245674 977472080 /nfs/dbraw/zinc/47/20/80/977472080.db2.gz JVIXUAJQDSACFL-VIFPVBQESA-N -2 3 375.834 0.915 20 0 GCADHL C[C@@](CCF)([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001592507189 978324312 /nfs/dbraw/zinc/32/43/12/978324312.db2.gz IILNYUDWCHWVRC-NSHDSACASA-N -2 3 395.210 0.973 20 0 GCADHL CC(C)C[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000826787360 978949224 /nfs/dbraw/zinc/94/92/24/978949224.db2.gz SIRYNLALVHCFLS-HNNXBMFYSA-N -2 3 377.441 0.766 20 0 GCADHL CC[C@](COC)([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199575 979941952 /nfs/dbraw/zinc/94/19/52/979941952.db2.gz KUAXPXFZYBLKDS-JBEBIEQOSA-N -2 3 393.487 0.704 20 0 GCADHL CC[C@@](COC)([N-]S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199576 979942197 /nfs/dbraw/zinc/94/21/97/979942197.db2.gz KUAXPXFZYBLKDS-LFPIHBKWSA-N -2 3 393.487 0.704 20 0 GCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1 ZINC001588660926 983785505 /nfs/dbraw/zinc/78/55/05/983785505.db2.gz CRFZSONYLWTFGT-GXFFZTMASA-N -2 3 376.365 0.995 20 0 GCADHL CCOC(=O)C1(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(C)C)C(=O)[O-])CCC1 ZINC001596563151 984441697 /nfs/dbraw/zinc/44/16/97/984441697.db2.gz IBTIJZPHQZLMLX-NSHDSACASA-N -2 3 378.447 0.007 20 0 GCADHL CCOC(=O)CC1(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C)CC1 ZINC001596617174 984588016 /nfs/dbraw/zinc/58/80/16/984588016.db2.gz LSMRKZSMERDJBM-NSHDSACASA-N -2 3 393.458 0.967 20 0 GCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)c2)[n-]1 ZINC001596748586 985079507 /nfs/dbraw/zinc/07/95/07/985079507.db2.gz ITRZLKQBQJNLSV-OLZOCXBDSA-N -2 3 388.380 0.897 20 0 GCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CC[C@@H](C(=O)[O-])O3)c2)n[n-]1 ZINC001596748586 985079516 /nfs/dbraw/zinc/07/95/16/985079516.db2.gz ITRZLKQBQJNLSV-OLZOCXBDSA-N -2 3 388.380 0.897 20 0 GCADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]C[C@H]3[C@@H](C(=O)[O-])C3(F)F)cc2C1 ZINC001589093582 985285826 /nfs/dbraw/zinc/28/58/26/985285826.db2.gz XCQXXOZVZQWSPD-CABZTGNLSA-N -2 3 394.421 0.897 20 0 GCADHL CC(C)(C(=O)[O-])N1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC001589623304 987512718 /nfs/dbraw/zinc/51/27/18/987512718.db2.gz XFNUIGCRSXTGHV-UHFFFAOYSA-N -2 3 390.465 0.693 20 0 GCADHL CCc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)ncn1 ZINC001597477810 987952273 /nfs/dbraw/zinc/95/22/73/987952273.db2.gz MJZDIZSNAWEQOW-LLVKDONJSA-N -2 3 380.430 0.408 20 0 GCADHL C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1CC(=O)[O-] ZINC001599868402 989309158 /nfs/dbraw/zinc/30/91/58/989309158.db2.gz MUSMTGZCMJDASP-NXEZZACHSA-N -2 3 394.446 0.929 20 0 GCADHL CN(C)C(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598110758 990505719 /nfs/dbraw/zinc/50/57/19/990505719.db2.gz VDMVVMRTFNOQSZ-NSHDSACASA-N -2 3 383.451 0.819 20 0 GCADHL COc1cccc(S([O-])=CC(=O)OCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC001599683680 990951935 /nfs/dbraw/zinc/95/19/35/990951935.db2.gz WCLRXYSWHFGZPN-AREMUKBSSA-N -2 3 383.422 0.669 20 0 GCADHL CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC001598262203 991097389 /nfs/dbraw/zinc/09/73/89/991097389.db2.gz SWECHGCPQOIMHF-UHFFFAOYSA-N -2 3 386.398 0.686 20 0 GCADHL C[S@@](=O)(=NS(=O)(=O)[N-][C@H](CCC1OCCO1)C(=O)[O-])C1CCCCC1 ZINC001599744363 991908369 /nfs/dbraw/zinc/90/83/69/991908369.db2.gz UTPXHVLTWGFNAU-YYUOZPCZSA-N -2 3 398.503 0.858 20 0 GCADHL CS(=O)(=O)N[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599758080 992081786 /nfs/dbraw/zinc/08/17/86/992081786.db2.gz PYWXUNZQFRCCQR-ONGXEEELSA-N -2 3 380.444 0.364 20 0 GCADHL CS(=O)(=O)[N-]c1cccc(F)c1CNC(=O)NCCSCC(=O)[O-] ZINC001599760671 992117066 /nfs/dbraw/zinc/11/70/66/992117066.db2.gz QFXLSCWQZQRIBW-UHFFFAOYSA-N -2 3 379.435 0.814 20 0 GCADHL CN1C(=O)C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1=O ZINC001598549946 992991912 /nfs/dbraw/zinc/99/19/12/992991912.db2.gz 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531156521 /nfs/dbraw/zinc/15/65/21/531156521.db2.gz QBXYMLCDMJOXRF-UHFFFAOYSA-N -2 3 394.446 0.392 20 0 GCADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCNS(=O)(=O)c2ccccc2)c1 ZINC000554386150 531161860 /nfs/dbraw/zinc/16/18/60/531161860.db2.gz TZNYTGMQXQLSFI-UHFFFAOYSA-N -2 3 390.464 0.703 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)cc1F ZINC000554537745 531163159 /nfs/dbraw/zinc/16/31/59/531163159.db2.gz MOQPABDOTPSOSX-UHFFFAOYSA-N -2 3 380.419 0.871 20 0 GCADHL CNS(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000555128054 531166968 /nfs/dbraw/zinc/16/69/68/531166968.db2.gz GBBBWTLTHLMKGN-UHFFFAOYSA-N -2 3 388.423 0.815 20 0 GCADHL CC[C@@H](CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-] ZINC000681572315 531167298 /nfs/dbraw/zinc/16/72/98/531167298.db2.gz VXLZHANMAYNNMM-JTQLQIEISA-N -2 3 394.471 0.846 20 0 GCADHL CC[C@@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000681572957 531167472 /nfs/dbraw/zinc/16/74/72/531167472.db2.gz WHNRAQBKPNWWCR-LBPRGKRZSA-N -2 3 390.483 0.860 20 0 GCADHL CCC[C@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000555374565 531168934 /nfs/dbraw/zinc/16/89/34/531168934.db2.gz OJHNYUYFDMNLQB-LLVKDONJSA-N -2 3 378.472 0.716 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1 ZINC000564926059 531178160 /nfs/dbraw/zinc/17/81/60/531178160.db2.gz DZPONHKVOKJAFJ-LBPRGKRZSA-N -2 3 382.435 0.929 20 0 GCADHL CC(F)(F)C[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(F)cn1 ZINC000565314395 531184282 /nfs/dbraw/zinc/18/42/82/531184282.db2.gz RWVMWPJZNZPUEZ-UHFFFAOYSA-N -2 3 375.394 0.927 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000684718571 531186724 /nfs/dbraw/zinc/18/67/24/531186724.db2.gz YLIKGZBKELKKOE-UHFFFAOYSA-N -2 3 391.471 0.431 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)o1 ZINC000565795137 531190885 /nfs/dbraw/zinc/19/08/85/531190885.db2.gz JQYAPVJEYBEIBH-UHFFFAOYSA-N -2 3 389.411 0.054 20 0 GCADHL C[C@@]1(c2ccc(CNS(=O)(=O)[N-]CC(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000442983229 531193240 /nfs/dbraw/zinc/19/32/40/531193240.db2.gz MHZJPZZSFLFNHL-LBPRGKRZSA-N -2 3 380.348 0.228 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000735961217 598855031 /nfs/dbraw/zinc/85/50/31/598855031.db2.gz NYEPBTHIQWAGRV-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000735961217 598855032 /nfs/dbraw/zinc/85/50/32/598855032.db2.gz NYEPBTHIQWAGRV-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL Cn1c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cc2[nH]c1=O ZINC000737591667 598856183 /nfs/dbraw/zinc/85/61/83/598856183.db2.gz WJVLDVFJZQXWRG-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL Cn1c2ccc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cc2[nH]c1=O ZINC000737591667 598856184 /nfs/dbraw/zinc/85/61/84/598856184.db2.gz WJVLDVFJZQXWRG-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737917519 598856265 /nfs/dbraw/zinc/85/62/65/598856265.db2.gz ZVUFFSIGDHZAOM-CYBMUJFWSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737917519 598856266 /nfs/dbraw/zinc/85/62/66/598856266.db2.gz ZVUFFSIGDHZAOM-CYBMUJFWSA-N -2 3 381.414 0.008 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000735733957 598857928 /nfs/dbraw/zinc/85/79/28/598857928.db2.gz DGKGRSNULKQDET-SMDDNHRTSA-N -2 3 395.441 0.505 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000735733957 598857929 /nfs/dbraw/zinc/85/79/29/598857929.db2.gz DGKGRSNULKQDET-SMDDNHRTSA-N -2 3 395.441 0.505 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccnc(-n2cccn2)c1 ZINC000738140497 598910350 /nfs/dbraw/zinc/91/03/50/598910350.db2.gz WGTMYZVPOUAFIQ-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccnc(-n2cccn2)c1 ZINC000738140497 598910352 /nfs/dbraw/zinc/91/03/52/598910352.db2.gz WGTMYZVPOUAFIQ-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(-n2cccn2)c1 ZINC000738140777 598910553 /nfs/dbraw/zinc/91/05/53/598910553.db2.gz WQHWRGVABYUJFX-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(-n2cccn2)c1 ZINC000738140777 598910555 /nfs/dbraw/zinc/91/05/55/598910555.db2.gz WQHWRGVABYUJFX-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000737223689 598950785 /nfs/dbraw/zinc/95/07/85/598950785.db2.gz BNGXENAMZLOAJF-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(CCC(N)=O)n1 ZINC000737223689 598950787 /nfs/dbraw/zinc/95/07/87/598950787.db2.gz BNGXENAMZLOAJF-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000737298433 598975098 /nfs/dbraw/zinc/97/50/98/598975098.db2.gz KDOTVNHCZHKPQP-UHFFFAOYSA-N -2 3 393.347 0.949 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOCC(F)(F)F ZINC000737298433 598975101 /nfs/dbraw/zinc/97/51/01/598975101.db2.gz KDOTVNHCZHKPQP-UHFFFAOYSA-N -2 3 393.347 0.949 20 0 GCADHL O=C(C[C@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737813788 599026033 /nfs/dbraw/zinc/02/60/33/599026033.db2.gz KVRZAANJTNUDBT-CYBMUJFWSA-N -2 3 398.404 0.798 20 0 GCADHL O=C(C[C@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737813788 599026035 /nfs/dbraw/zinc/02/60/35/599026035.db2.gz KVRZAANJTNUDBT-CYBMUJFWSA-N -2 3 398.404 0.798 20 0 GCADHL O=C(C[C@@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737813792 599026174 /nfs/dbraw/zinc/02/61/74/599026174.db2.gz KVRZAANJTNUDBT-ZDUSSCGKSA-N -2 3 398.404 0.798 20 0 GCADHL O=C(C[C@@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737813792 599026176 /nfs/dbraw/zinc/02/61/76/599026176.db2.gz KVRZAANJTNUDBT-ZDUSSCGKSA-N -2 3 398.404 0.798 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c[nH]1 ZINC000821667816 599301803 /nfs/dbraw/zinc/30/18/03/599301803.db2.gz BIOXRMSHJACNNQ-UHFFFAOYSA-N -2 3 378.370 0.791 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CN(C)CCO1 ZINC000820437673 607259593 /nfs/dbraw/zinc/25/95/93/607259593.db2.gz BBOBIPPBMCICBX-UFBFGSQYSA-N -2 3 388.400 0.142 20 0 GCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1F ZINC000821343835 607328006 /nfs/dbraw/zinc/32/80/06/607328006.db2.gz VNOKYCZPIGVCMB-UHFFFAOYSA-N -2 3 381.349 0.706 20 0 GCADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736875798 598283237 /nfs/dbraw/zinc/28/32/37/598283237.db2.gz YPWCTNMQPVRUIV-UHFFFAOYSA-N -2 3 389.397 0.187 20 0 GCADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736875798 598283239 /nfs/dbraw/zinc/28/32/39/598283239.db2.gz YPWCTNMQPVRUIV-UHFFFAOYSA-N -2 3 389.397 0.187 20 0 GCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737855108 598307031 /nfs/dbraw/zinc/30/70/31/598307031.db2.gz ZXDDNMOPMNIQBS-AWEZNQCLSA-N -2 3 379.442 0.814 20 0 GCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737855108 598307034 /nfs/dbraw/zinc/30/70/34/598307034.db2.gz ZXDDNMOPMNIQBS-AWEZNQCLSA-N -2 3 379.442 0.814 20 0 GCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737930831 598307395 /nfs/dbraw/zinc/30/73/95/598307395.db2.gz OJGLHVLBVZDDKF-NSHDSACASA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737930831 598307397 /nfs/dbraw/zinc/30/73/97/598307397.db2.gz OJGLHVLBVZDDKF-NSHDSACASA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737925074 598307416 /nfs/dbraw/zinc/30/74/16/598307416.db2.gz OHOQUHXGJRISIZ-CYBMUJFWSA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737925074 598307417 /nfs/dbraw/zinc/30/74/17/598307417.db2.gz OHOQUHXGJRISIZ-CYBMUJFWSA-N -2 3 381.414 0.261 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000735737145 598330987 /nfs/dbraw/zinc/33/09/87/598330987.db2.gz ZLWHHCAIUSEONN-AWEZNQCLSA-N -2 3 396.473 0.971 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000735737145 598330988 /nfs/dbraw/zinc/33/09/88/598330988.db2.gz ZLWHHCAIUSEONN-AWEZNQCLSA-N -2 3 396.473 0.971 20 0 GCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735858793 598331053 /nfs/dbraw/zinc/33/10/53/598331053.db2.gz FLLLKLMKFUGUIQ-UHFFFAOYSA-N -2 3 384.487 0.801 20 0 GCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735858793 598331055 /nfs/dbraw/zinc/33/10/55/598331055.db2.gz FLLLKLMKFUGUIQ-UHFFFAOYSA-N -2 3 384.487 0.801 20 0 GCADHL COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737005237 598414994 /nfs/dbraw/zinc/41/49/94/598414994.db2.gz FNZQCECJMKHFPW-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL COCCOCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737005237 598414995 /nfs/dbraw/zinc/41/49/95/598414995.db2.gz FNZQCECJMKHFPW-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737759899 598565582 /nfs/dbraw/zinc/56/55/82/598565582.db2.gz KJZOCACKACOSOS-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737759899 598565584 /nfs/dbraw/zinc/56/55/84/598565584.db2.gz KJZOCACKACOSOS-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000736601643 598637003 /nfs/dbraw/zinc/63/70/03/598637003.db2.gz BXEQXSBRULSWIU-UHFFFAOYSA-N -2 3 378.374 0.271 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000736601643 598637005 /nfs/dbraw/zinc/63/70/05/598637005.db2.gz BXEQXSBRULSWIU-UHFFFAOYSA-N -2 3 378.374 0.271 20 0 GCADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000737173941 598637748 /nfs/dbraw/zinc/63/77/48/598637748.db2.gz PINVJGSEQDSKEI-UHFFFAOYSA-N -2 3 398.401 0.605 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737013398 598740061 /nfs/dbraw/zinc/74/00/61/598740061.db2.gz HFUDEFDREZJFBM-ZDUSSCGKSA-N -2 3 383.430 0.363 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737013398 598740062 /nfs/dbraw/zinc/74/00/62/598740062.db2.gz HFUDEFDREZJFBM-ZDUSSCGKSA-N -2 3 383.430 0.363 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)nn1C ZINC000737025260 598785749 /nfs/dbraw/zinc/78/57/49/598785749.db2.gz XTMIEMLYUICMMW-UHFFFAOYSA-N -2 3 377.386 0.036 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000737025260 598785750 /nfs/dbraw/zinc/78/57/50/598785750.db2.gz XTMIEMLYUICMMW-UHFFFAOYSA-N -2 3 377.386 0.036 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000735467205 598798750 /nfs/dbraw/zinc/79/87/50/598798750.db2.gz ZJFMCPLUEYQNIK-AWEZNQCLSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000735467205 598798751 /nfs/dbraw/zinc/79/87/51/598798751.db2.gz 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CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000820187440 606133294 /nfs/dbraw/zinc/13/32/94/606133294.db2.gz AZEHHQWIOVUBIN-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000820187440 606133295 /nfs/dbraw/zinc/13/32/95/606133295.db2.gz AZEHHQWIOVUBIN-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822709106 606157192 /nfs/dbraw/zinc/15/71/92/606157192.db2.gz GMUNQFYKPRBJQN-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822709106 606157193 /nfs/dbraw/zinc/15/71/93/606157193.db2.gz GMUNQFYKPRBJQN-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821666770 606210769 /nfs/dbraw/zinc/21/07/69/606210769.db2.gz DUIKAWCCFBNORX-UHFFFAOYSA-N -2 3 379.358 0.191 20 0 GCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821446906 606281658 /nfs/dbraw/zinc/28/16/58/606281658.db2.gz FKVMQXZXBNUOOR-UHFFFAOYSA-N -2 3 376.398 0.957 20 0 GCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821446906 606281660 /nfs/dbraw/zinc/28/16/60/606281660.db2.gz FKVMQXZXBNUOOR-UHFFFAOYSA-N -2 3 376.398 0.957 20 0 GCADHL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821670147 606407793 /nfs/dbraw/zinc/40/77/93/606407793.db2.gz OZLNFESZTHOYJL-UHFFFAOYSA-N -2 3 390.381 0.111 20 0 GCADHL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821670147 606407797 /nfs/dbraw/zinc/40/77/97/606407797.db2.gz OZLNFESZTHOYJL-UHFFFAOYSA-N -2 3 390.381 0.111 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)s1 ZINC000821669585 606407817 /nfs/dbraw/zinc/40/78/17/606407817.db2.gz SUEGJLQSDHLKQZ-UHFFFAOYSA-N -2 3 396.410 0.172 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)s1 ZINC000821669585 606407819 /nfs/dbraw/zinc/40/78/19/606407819.db2.gz SUEGJLQSDHLKQZ-UHFFFAOYSA-N -2 3 396.410 0.172 20 0 GCADHL O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2)=NN1 ZINC000823525399 606431111 /nfs/dbraw/zinc/43/11/11/606431111.db2.gz MTZVLBVFDZTOFB-UHFFFAOYSA-N -2 3 398.408 0.677 20 0 GCADHL O=C1CCC(c2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2)=NN1 ZINC000823525399 606431112 /nfs/dbraw/zinc/43/11/12/606431112.db2.gz MTZVLBVFDZTOFB-UHFFFAOYSA-N -2 3 398.408 0.677 20 0 GCADHL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000821672318 606459906 /nfs/dbraw/zinc/45/99/06/606459906.db2.gz GJACQSZOBVEPQH-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL COC(=O)c1sccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000821672318 606459907 /nfs/dbraw/zinc/45/99/07/606459907.db2.gz GJACQSZOBVEPQH-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000821669464 606463462 /nfs/dbraw/zinc/46/34/62/606463462.db2.gz MYOZTFKGTZMTDC-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000821669464 606463464 /nfs/dbraw/zinc/46/34/64/606463464.db2.gz MYOZTFKGTZMTDC-UHFFFAOYSA-N -2 3 399.435 0.895 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821671303 606707304 /nfs/dbraw/zinc/70/73/04/606707304.db2.gz QITMDLHGBISPDT-UHFFFAOYSA-N -2 3 382.383 0.616 20 0 GCADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821772864 606709361 /nfs/dbraw/zinc/70/93/61/606709361.db2.gz UMFMHGQKMLYGHV-UHFFFAOYSA-N -3 3 379.358 0.108 20 0 GCADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822267037 606709612 /nfs/dbraw/zinc/70/96/12/606709612.db2.gz MKQBGEGPUCGFNV-UHFFFAOYSA-N -2 3 397.442 0.113 20 0 GCADHL COc1cc(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821708394 606710744 /nfs/dbraw/zinc/71/07/44/606710744.db2.gz OPYJUXLJCKYORV-UHFFFAOYSA-N -2 3 379.402 0.727 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000822622784 606710947 /nfs/dbraw/zinc/71/09/47/606710947.db2.gz IULAAYUYZBYROG-UHFFFAOYSA-N -2 3 397.804 0.826 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1OCC(=O)[O-] ZINC000822211839 606711036 /nfs/dbraw/zinc/71/10/36/606711036.db2.gz PZOUXKFNPDVFIH-UHFFFAOYSA-N -3 3 393.385 0.173 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000822623369 606711333 /nfs/dbraw/zinc/71/13/33/606711333.db2.gz UPBBZOZKSSKVQQ-UHFFFAOYSA-N -2 3 388.413 0.528 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ccc(C)nn2)n1 ZINC000822225313 606779429 /nfs/dbraw/zinc/77/94/29/606779429.db2.gz XVBQSIKFGSCHGD-UHFFFAOYSA-N -2 3 398.412 0.655 20 0 GCADHL CC(=O)N1CCC([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000819789636 606884324 /nfs/dbraw/zinc/88/43/24/606884324.db2.gz WKNUUJGWQGVCCX-UHFFFAOYSA-N -2 3 386.384 0.434 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCOCC1 ZINC000820274061 606886133 /nfs/dbraw/zinc/88/61/33/606886133.db2.gz CTNGRZAXFWYCHB-SECBINFHSA-N -2 3 388.400 0.144 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Cn1cccn1 ZINC000820275804 606886164 /nfs/dbraw/zinc/88/61/64/606886164.db2.gz RYRQGGUCOYCQFH-VIFPVBQESA-N -2 3 383.384 0.956 20 0 GCADHL O=S(=O)([N-]Cc1nc(C2CC2)no1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577827 606889210 /nfs/dbraw/zinc/88/92/10/606889210.db2.gz AKJGQZXVKLRFBL-UHFFFAOYSA-N -2 3 383.340 0.884 20 0 GCADHL CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821315908 606890540 /nfs/dbraw/zinc/89/05/40/606890540.db2.gz ZFFGFBFVXFQVFT-UHFFFAOYSA-N -2 3 375.357 0.765 20 0 GCADHL O=S(=O)([N-]CCOC[C@@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578254 606891203 /nfs/dbraw/zinc/89/12/03/606891203.db2.gz KLNVBPMBJMPWBM-SECBINFHSA-N -2 3 389.384 0.476 20 0 GCADHL CCCCOC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821071317 606892046 /nfs/dbraw/zinc/89/20/46/606892046.db2.gz AVNADXPHADJKCX-UHFFFAOYSA-N -2 3 375.357 0.767 20 0 GCADHL CCCOC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821127332 606893394 /nfs/dbraw/zinc/89/33/94/606893394.db2.gz GDESHOZRUSNFHI-UHFFFAOYSA-N -2 3 375.357 0.767 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820444331 607018001 /nfs/dbraw/zinc/01/80/01/607018001.db2.gz IPEGAESNJRLWTC-GXFFZTMASA-N -2 3 396.429 0.108 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820444331 607018003 /nfs/dbraw/zinc/01/80/03/607018003.db2.gz IPEGAESNJRLWTC-GXFFZTMASA-N -2 3 396.429 0.108 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000819810277 607025129 /nfs/dbraw/zinc/02/51/29/607025129.db2.gz FDHUXJVKMHYNKS-UHFFFAOYSA-N -2 3 393.454 0.803 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820214509 607077991 /nfs/dbraw/zinc/07/79/91/607077991.db2.gz GBAQNGQJBZJFKV-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820214509 607077993 /nfs/dbraw/zinc/07/79/93/607077993.db2.gz GBAQNGQJBZJFKV-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n(C)n1 ZINC000821694664 607122259 /nfs/dbraw/zinc/12/22/59/607122259.db2.gz XHOVUHPBHKSYFJ-UHFFFAOYSA-N -2 3 381.393 0.729 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n(C)n1 ZINC000821694664 607122260 /nfs/dbraw/zinc/12/22/60/607122260.db2.gz XHOVUHPBHKSYFJ-UHFFFAOYSA-N -2 3 381.393 0.729 20 0 GCADHL O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823005178 607184669 /nfs/dbraw/zinc/18/46/69/607184669.db2.gz FWKSVENWAFAENM-UHFFFAOYSA-N -2 3 386.393 0.102 20 0 GCADHL O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823005178 607184670 /nfs/dbraw/zinc/18/46/70/607184670.db2.gz FWKSVENWAFAENM-UHFFFAOYSA-N -2 3 386.393 0.102 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OC ZINC000826211414 607776630 /nfs/dbraw/zinc/77/66/30/607776630.db2.gz BTQPOLRUOHTPJE-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OC ZINC000826211414 607776631 /nfs/dbraw/zinc/77/66/31/607776631.db2.gz BTQPOLRUOHTPJE-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C(F)F)n1 ZINC000826358746 607843068 /nfs/dbraw/zinc/84/30/68/607843068.db2.gz GYPQNKUTODPBEF-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C(F)F)n1 ZINC000826358746 607843069 /nfs/dbraw/zinc/84/30/69/607843069.db2.gz GYPQNKUTODPBEF-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826418372 607925566 /nfs/dbraw/zinc/92/55/66/607925566.db2.gz CPSYLOVIOKQQNQ-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826418372 607925567 /nfs/dbraw/zinc/92/55/67/607925567.db2.gz CPSYLOVIOKQQNQ-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826227849 608000891 /nfs/dbraw/zinc/00/08/91/608000891.db2.gz YPIVWWJIDKUGGM-LHLIQPBNSA-N -2 3 379.414 0.536 20 0 GCADHL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826157929 608010570 /nfs/dbraw/zinc/01/05/70/608010570.db2.gz RTLOPOZUCYTESL-UHFFFAOYSA-N -2 3 375.794 0.242 20 0 GCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824053267 608011109 /nfs/dbraw/zinc/01/11/09/608011109.db2.gz XBHGQUXHCOOLGH-ZCFIWIBFSA-N -2 3 390.219 0.723 20 0 GCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824053267 608011110 /nfs/dbraw/zinc/01/11/10/608011110.db2.gz XBHGQUXHCOOLGH-ZCFIWIBFSA-N -2 3 390.219 0.723 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824052986 608011238 /nfs/dbraw/zinc/01/12/38/608011238.db2.gz UOUPRHQVVFRAIU-LURJTMIESA-N -2 3 379.320 0.979 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824052986 608011239 /nfs/dbraw/zinc/01/12/39/608011239.db2.gz UOUPRHQVVFRAIU-LURJTMIESA-N -2 3 379.320 0.979 20 0 GCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C1 ZINC000826461239 608011350 /nfs/dbraw/zinc/01/13/50/608011350.db2.gz MKOAJCUSECRKPZ-MRVPVSSYSA-N -2 3 391.331 0.981 20 0 GCADHL O=C([O-])[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC000826461239 608011351 /nfs/dbraw/zinc/01/13/51/608011351.db2.gz MKOAJCUSECRKPZ-MRVPVSSYSA-N -2 3 391.331 0.981 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826461365 608011639 /nfs/dbraw/zinc/01/16/39/608011639.db2.gz RGWVILUPUJYILP-AWEZNQCLSA-N -2 3 391.384 0.980 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826461365 608011640 /nfs/dbraw/zinc/01/16/40/608011640.db2.gz RGWVILUPUJYILP-AWEZNQCLSA-N -2 3 391.384 0.980 20 0 GCADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826419939 608076007 /nfs/dbraw/zinc/07/60/07/608076007.db2.gz RZNCOWGEHVQQDP-UHFFFAOYSA-N -2 3 381.361 0.967 20 0 GCADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826419939 608076008 /nfs/dbraw/zinc/07/60/08/608076008.db2.gz RZNCOWGEHVQQDP-UHFFFAOYSA-N -2 3 381.361 0.967 20 0 GCADHL O=C(CN1CCN(c2ncccc2-c2nnn[n-]2)CC1)[N-]OCc1ccccc1 ZINC000826410978 608226359 /nfs/dbraw/zinc/22/63/59/608226359.db2.gz GIYPGIWTRNXSJO-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL O=C(CN1CCN(c2ncccc2-c2nn[n-]n2)CC1)[N-]OCc1ccccc1 ZINC000826410978 608226361 /nfs/dbraw/zinc/22/63/61/608226361.db2.gz GIYPGIWTRNXSJO-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826411770 608274658 /nfs/dbraw/zinc/27/46/58/608274658.db2.gz MMRPYEPRXNYKER-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826411770 608274660 /nfs/dbraw/zinc/27/46/60/608274660.db2.gz MMRPYEPRXNYKER-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411625 608274789 /nfs/dbraw/zinc/27/47/89/608274789.db2.gz GPWFLKVRILTTAZ-UHFFFAOYSA-N -2 3 384.421 0.734 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411625 608274791 /nfs/dbraw/zinc/27/47/91/608274791.db2.gz GPWFLKVRILTTAZ-UHFFFAOYSA-N -2 3 384.421 0.734 20 0 GCADHL CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825406932 608306823 /nfs/dbraw/zinc/30/68/23/608306823.db2.gz VLKUCNRBVCYUBF-UHFFFAOYSA-N -2 3 390.429 0.873 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1NC(C)=O ZINC000826211791 608307097 /nfs/dbraw/zinc/30/70/97/608307097.db2.gz UVCRTXKUDGOPTD-UHFFFAOYSA-N -2 3 378.374 0.358 20 0 GCADHL O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000826483512 608307366 /nfs/dbraw/zinc/30/73/66/608307366.db2.gz PVVCSRFPRGYUPP-UHFFFAOYSA-N -2 3 376.358 0.347 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nn1 ZINC000825356979 608317561 /nfs/dbraw/zinc/31/75/61/608317561.db2.gz SRMMUFKYJCKTQB-UHFFFAOYSA-N -2 3 376.402 0.295 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nn1 ZINC000825356979 608317563 /nfs/dbraw/zinc/31/75/63/608317563.db2.gz SRMMUFKYJCKTQB-UHFFFAOYSA-N -2 3 376.402 0.295 20 0 GCADHL O=c1[n-]c(CN2CCN(c3c(-c4nnn[n-]4)cnc4ccccc43)CC2)n[nH]1 ZINC000826501824 608389967 /nfs/dbraw/zinc/38/99/67/608389967.db2.gz ITKQPAVQEOBLDF-UHFFFAOYSA-N -2 3 378.400 0.561 20 0 GCADHL O=c1[n-]c(CN2CCN(c3c(-c4nn[n-]n4)cnc4ccccc43)CC2)n[nH]1 ZINC000826501824 608389969 /nfs/dbraw/zinc/38/99/69/608389969.db2.gz ITKQPAVQEOBLDF-UHFFFAOYSA-N -2 3 378.400 0.561 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000826175459 608442847 /nfs/dbraw/zinc/44/28/47/608442847.db2.gz GFXVJNWQYHDOMQ-UHFFFAOYSA-N -2 3 375.345 0.601 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)OCc1n[nH]c(=O)[n-]1 ZINC000826175459 608442849 /nfs/dbraw/zinc/44/28/49/608442849.db2.gz GFXVJNWQYHDOMQ-UHFFFAOYSA-N -2 3 375.345 0.601 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)nc1C ZINC000825805021 608822444 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GCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825845378 609161768 /nfs/dbraw/zinc/16/17/68/609161768.db2.gz GKMDFKWKMSPESI-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825845378 609161770 /nfs/dbraw/zinc/16/17/70/609161770.db2.gz GKMDFKWKMSPESI-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL O=S(=O)([N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cn[nH]c1 ZINC000826493158 609274754 /nfs/dbraw/zinc/27/47/54/609274754.db2.gz WFFKAHSQTSWNBA-UHFFFAOYSA-N -2 3 375.349 0.715 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824280380 609396264 /nfs/dbraw/zinc/39/62/64/609396264.db2.gz LFJJLXRQTCYMBB-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824280380 609396268 /nfs/dbraw/zinc/39/62/68/609396268.db2.gz LFJJLXRQTCYMBB-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL COCCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1cn(C)c(C)n1 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ZINC000846004144 642466998 /nfs/dbraw/zinc/46/69/98/642466998.db2.gz ZXFCDYCOCUOVII-UHFFFAOYSA-N -2 3 397.450 0.323 20 0 GCADHL CCO[N-]C(=O)CNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000846496182 642488852 /nfs/dbraw/zinc/48/88/52/642488852.db2.gz MENFUNVZXLWLLN-UHFFFAOYSA-N -2 3 377.369 0.203 20 0 GCADHL Cc1csc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC2(C)OCCO2)n1 ZINC000848965333 642603095 /nfs/dbraw/zinc/60/30/95/642603095.db2.gz KZABMRHDVQIVTO-UHFFFAOYSA-N -2 3 399.516 0.266 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OCCN1CCCC1=O ZINC000856039057 642910339 /nfs/dbraw/zinc/91/03/39/642910339.db2.gz NWXLILYXNLGCSQ-UHFFFAOYSA-N -2 3 381.863 0.350 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-n3nn[n-]c3=O)cc2)c(C)o1 ZINC000473247020 1192621539 /nfs/dbraw/zinc/62/15/39/1192621539.db2.gz WYUFHOZPYCKBCO-UHFFFAOYSA-N -2 3 378.370 0.430 20 0 GCADHL COc1cc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)cc([N-]S(C)(=O)=O)c1OC ZINC000275142249 1184531646 /nfs/dbraw/zinc/53/16/46/1184531646.db2.gz LTUPZUWYQSYQJE-UHFFFAOYSA-N -2 3 398.397 0.837 20 0 GCADHL Cc1ncc(S(=O)(=O)[N-]CCNC(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000547901779 1184740144 /nfs/dbraw/zinc/74/01/44/1184740144.db2.gz JAFMEDSKQIEIOI-UHFFFAOYSA-N -2 3 398.466 0.927 20 0 GCADHL CC(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000656008365 1184935442 /nfs/dbraw/zinc/93/54/42/1184935442.db2.gz UIODHPBFSQMAEP-HNNXBMFYSA-N -2 3 391.424 0.150 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)c(C(N)=O)c1 ZINC000430985788 1186097027 /nfs/dbraw/zinc/09/70/27/1186097027.db2.gz YIPHRWYVYDEXMF-UHFFFAOYSA-N -2 3 395.393 0.796 20 0 GCADHL O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCO[C@H](c2nnn[n-]2)C1 ZINC000363882639 1189547767 /nfs/dbraw/zinc/54/77/67/1189547767.db2.gz BCCZRDBCIQGIMI-LBPRGKRZSA-N -2 3 375.776 0.958 20 0 GCADHL O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCO[C@H](c2nn[n-]n2)C1 ZINC000363882639 1189547772 /nfs/dbraw/zinc/54/77/72/1189547772.db2.gz BCCZRDBCIQGIMI-LBPRGKRZSA-N -2 3 375.776 0.958 20 0 GCADHL O=C([O-])CCNC(=O)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000420603699 1194247245 /nfs/dbraw/zinc/24/72/45/1194247245.db2.gz VPRDACJSXSAXJN-UHFFFAOYSA-N -2 3 397.815 0.814 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C)o1 ZINC000514863910 1194922706 /nfs/dbraw/zinc/92/27/06/1194922706.db2.gz YBHHETQVZWIFJN-JTQLQIEISA-N -2 3 397.413 0.263 20 0 GCADHL CS(=O)(=O)[N-]c1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000436644760 1195022061 /nfs/dbraw/zinc/02/20/61/1195022061.db2.gz XQBOFHQYNIOAJU-UHFFFAOYSA-N -2 3 377.422 0.924 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)ccc1O ZINC000436895439 1195046782 /nfs/dbraw/zinc/04/67/82/1195046782.db2.gz VBCZJYNFICCSGA-UHFFFAOYSA-N -2 3 391.365 0.661 20 0 GCADHL Cc1cc(C(=O)N(C)C(C)(C)CN2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000516740331 1195088577 /nfs/dbraw/zinc/08/85/77/1195088577.db2.gz YKSDELAOZFQKRP-UHFFFAOYSA-N -2 3 375.429 0.927 20 0 GCADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)ccc1NC(N)=O ZINC000474292061 1196106796 /nfs/dbraw/zinc/10/67/96/1196106796.db2.gz IAFBJKGZRRUXKK-UHFFFAOYSA-N -2 3 390.377 0.870 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c(C)o1 ZINC000674360316 1200228642 /nfs/dbraw/zinc/22/86/42/1200228642.db2.gz NYNIIDHDZYHMDO-CYBMUJFWSA-N -2 3 376.398 0.529 20 0 GCADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000536739357 1201371084 /nfs/dbraw/zinc/37/10/84/1201371084.db2.gz JXBACEZMUIRMIB-UHFFFAOYSA-N -2 3 399.450 0.972 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000790067503 1205456183 /nfs/dbraw/zinc/45/61/83/1205456183.db2.gz FRNMYVIDAOPWLQ-UHFFFAOYSA-N -2 3 380.338 0.925 20 0 GCADHL CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)NCCCCP(=O)([O-])[O-] ZINC001183454045 1205892722 /nfs/dbraw/zinc/89/27/22/1205892722.db2.gz MSGUQKJSAUFOQN-CQSZACIVSA-N -2 3 382.357 0.684 20 0 GCADHL O=P([O-])([O-])OCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001186353003 1205938237 /nfs/dbraw/zinc/93/82/37/1205938237.db2.gz ZXUXNWLUBAMSPD-UHFFFAOYSA-N -3 3 395.555 0.885 20 0 GCADHL O=S(=O)([N-]c1cncc(N2CCOCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565764 1205924165 /nfs/dbraw/zinc/92/41/65/1205924165.db2.gz DNQSGFRECLEHAZ-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL O=S(=O)([N-]c1cncc(N2CCOCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565764 1205924166 /nfs/dbraw/zinc/92/41/66/1205924166.db2.gz DNQSGFRECLEHAZ-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL COC(=O)c1ncc(Cl)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568135 1205924203 /nfs/dbraw/zinc/92/42/03/1205924203.db2.gz PGDABLFBVSHYHD-UHFFFAOYSA-N -2 3 395.788 0.898 20 0 GCADHL COC(=O)c1ncc(Cl)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568135 1205924204 /nfs/dbraw/zinc/92/42/04/1205924204.db2.gz PGDABLFBVSHYHD-UHFFFAOYSA-N -2 3 395.788 0.898 20 0 GCADHL CCOC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568838 1205924248 /nfs/dbraw/zinc/92/42/48/1205924248.db2.gz YZJPJHONJFZRNB-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1ccnnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568838 1205924249 /nfs/dbraw/zinc/92/42/49/1205924249.db2.gz YZJPJHONJFZRNB-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1ncncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568144 1205924386 /nfs/dbraw/zinc/92/43/86/1205924386.db2.gz PLJVDUNAIHSGOV-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL Cc1nc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568448 1205924473 /nfs/dbraw/zinc/92/44/73/1205924473.db2.gz UZHAOMFRZPTAMW-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1nc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568448 1205924474 /nfs/dbraw/zinc/92/44/74/1205924474.db2.gz UZHAOMFRZPTAMW-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cn1ncc(I)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188475027 1205983813 /nfs/dbraw/zinc/98/38/13/1205983813.db2.gz YZXCUVXZYBRDMK-UHFFFAOYSA-N -2 3 387.114 0.712 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(C)o1 ZINC000262856557 939079873 /nfs/dbraw/zinc/07/98/73/939079873.db2.gz AASFPZOXIXFXEP-HNNXBMFYSA-N -2 3 394.405 0.987 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCOCC2)ccc1F ZINC000836748213 939224080 /nfs/dbraw/zinc/22/40/80/939224080.db2.gz XKBPVTIRKVPFQT-UHFFFAOYSA-N -2 3 388.417 0.876 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000736932863 944911572 /nfs/dbraw/zinc/91/15/72/944911572.db2.gz VIOAUMFBPXXRCC-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000736932863 944911577 /nfs/dbraw/zinc/91/15/77/944911577.db2.gz VIOAUMFBPXXRCC-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL O=C(NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571269280 945617732 /nfs/dbraw/zinc/61/77/32/945617732.db2.gz UOCAQYXQPCLALB-NSHDSACASA-N -2 3 386.420 0.193 20 0 GCADHL O=C(NC[C@@H]1CCCCCN1Cc1n[nH]c(=O)[n-]1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571269280 945617735 /nfs/dbraw/zinc/61/77/35/945617735.db2.gz UOCAQYXQPCLALB-NSHDSACASA-N -2 3 386.420 0.193 20 0 GCADHL O=C(NCc1ccc(-c2nnn[n-]2)c(F)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001571275103 945702373 /nfs/dbraw/zinc/70/23/73/945702373.db2.gz PHCCZCYJLFSKEH-JTQLQIEISA-N -2 3 387.379 0.919 20 0 GCADHL O=C(NCc1ccc(-c2nn[n-]n2)c(F)c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC001571275103 945702379 /nfs/dbraw/zinc/70/23/79/945702379.db2.gz PHCCZCYJLFSKEH-JTQLQIEISA-N -2 3 387.379 0.919 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000824728788 946914719 /nfs/dbraw/zinc/91/47/19/946914719.db2.gz HLPWWECWKQQFPY-LLVKDONJSA-N -2 3 375.385 0.726 20 0 GCADHL Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000826364963 948141645 /nfs/dbraw/zinc/14/16/45/948141645.db2.gz UNRIDPQEQMWYAH-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cn1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000826364963 948141655 /nfs/dbraw/zinc/14/16/55/948141655.db2.gz UNRIDPQEQMWYAH-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826417211 948258569 /nfs/dbraw/zinc/25/85/69/948258569.db2.gz ISELPCGAIHVUGD-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccn(C(F)F)n1 ZINC000826449612 948313421 /nfs/dbraw/zinc/31/34/21/948313421.db2.gz BFXUVCNDYHJSIL-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccn(C(F)F)n1 ZINC000826449612 948313429 /nfs/dbraw/zinc/31/34/29/948313429.db2.gz BFXUVCNDYHJSIL-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450211 948316469 /nfs/dbraw/zinc/31/64/69/948316469.db2.gz BBILRHLPTOTTLS-UHFFFAOYSA-N -2 3 398.408 0.558 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450211 948316475 /nfs/dbraw/zinc/31/64/75/948316475.db2.gz BBILRHLPTOTTLS-UHFFFAOYSA-N -2 3 398.408 0.558 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900690 950207492 /nfs/dbraw/zinc/20/74/92/950207492.db2.gz HLYZKYKWEOFQDV-GXSJLCMTSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900690 950207516 /nfs/dbraw/zinc/20/75/16/950207516.db2.gz HLYZKYKWEOFQDV-GXSJLCMTSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574529996 950966045 /nfs/dbraw/zinc/96/60/45/950966045.db2.gz SEBZEMAIFDMVJH-ZJUUUORDSA-N -2 3 384.400 0.622 20 0 GCADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001591280451 951129026 /nfs/dbraw/zinc/12/90/26/951129026.db2.gz SEIHIJKQAFMIPW-TUAOUCFPSA-N -2 3 380.401 0.915 20 0 GCADHL C[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575027507 951157818 /nfs/dbraw/zinc/15/78/18/951157818.db2.gz QYDCLYXAIQBZGH-QMMMGPOBSA-N -2 3 381.356 0.734 20 0 GCADHL C[C@@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575027507 951157824 /nfs/dbraw/zinc/15/78/24/951157824.db2.gz QYDCLYXAIQBZGH-QMMMGPOBSA-N -2 3 381.356 0.734 20 0 GCADHL C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173897 952359188 /nfs/dbraw/zinc/35/91/88/952359188.db2.gz CJNUFRWKKRYRCT-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575173897 952359197 /nfs/dbraw/zinc/35/91/97/952359197.db2.gz CJNUFRWKKRYRCT-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001571175599 952823763 /nfs/dbraw/zinc/82/37/63/952823763.db2.gz WQHZZKHJBSMSFG-BXKDBHETSA-N -2 3 381.400 0.638 20 0 GCADHL Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2C)n1 ZINC001571175599 952823768 /nfs/dbraw/zinc/82/37/68/952823768.db2.gz WQHZZKHJBSMSFG-BXKDBHETSA-N -2 3 381.400 0.638 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1[O-] ZINC001571239769 953243144 /nfs/dbraw/zinc/24/31/44/953243144.db2.gz XKZLWQCXULKNFL-ZJUUUORDSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1[O-] ZINC001571239769 953243145 /nfs/dbraw/zinc/24/31/45/953243145.db2.gz XKZLWQCXULKNFL-ZJUUUORDSA-N -2 3 384.404 0.181 20 0 GCADHL CS(=O)(=O)Cc1noc([N-]C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC001571252523 953329459 /nfs/dbraw/zinc/32/94/59/953329459.db2.gz OLNKGYQQJDOVLU-UHFFFAOYSA-N -2 3 384.765 0.095 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCN1CC[C@H](F)C1 ZINC001594891677 954535750 /nfs/dbraw/zinc/53/57/50/954535750.db2.gz XIISZWRSZXCQSF-NHCYSSNCSA-N -2 3 383.342 0.543 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001594895800 954565895 /nfs/dbraw/zinc/56/58/95/954565895.db2.gz JGSKRFIBNBGVGE-MXWKQRLJSA-N -2 3 379.335 0.566 20 0 GCADHL O=C([O-])C1CCN(S(=O)(=O)[N-]Cc2nc(Cc3ccccc3F)no2)CC1 ZINC001594939353 954868876 /nfs/dbraw/zinc/86/88/76/954868876.db2.gz QLUAAWFGQQRLRQ-UHFFFAOYSA-N -2 3 398.416 0.931 20 0 GCADHL O=C([O-])C1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC001594945283 954911955 /nfs/dbraw/zinc/91/19/55/954911955.db2.gz LALZZOMIZQPFFU-UHFFFAOYSA-N -2 3 383.245 0.332 20 0 GCADHL COC(=O)C1CC2(C1)CN(Cc1nc3c(c(=O)[n-]1)COCC3)C[C@@H]2C(=O)[O-] ZINC001593824854 955089202 /nfs/dbraw/zinc/08/92/02/955089202.db2.gz AIXAVJUXCRXLRU-UNYNQTTQSA-N -2 3 377.397 0.341 20 0 GCADHL COC(=O)[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000738045435 955232107 /nfs/dbraw/zinc/23/21/07/955232107.db2.gz GMEZEAYOXJCUDZ-CABCVRRESA-N -2 3 395.437 0.635 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001593849851 955444893 /nfs/dbraw/zinc/44/48/93/955444893.db2.gz KZDMURNEJKNSGK-RULNZOCKSA-N -2 3 378.428 0.384 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@](C)(C(=O)[O-])c1ccccc1 ZINC001593866729 955583992 /nfs/dbraw/zinc/58/39/92/955583992.db2.gz NYJBJNKORIUKDA-INIZCTEOSA-N -2 3 381.410 0.826 20 0 GCADHL 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998989672 /nfs/dbraw/zinc/98/96/72/998989672.db2.gz ULOOWPATCDWVBO-SSDOTTSWSA-N -2 3 391.409 0.972 20 0 GCADHL CO[C@H](CS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)C1CC1 ZINC001599058393 999247592 /nfs/dbraw/zinc/24/75/92/999247592.db2.gz XSBHCPMIXJVJPI-VXGBXAGGSA-N -2 3 388.467 0.896 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000035085389 530114750 /nfs/dbraw/zinc/11/47/50/530114750.db2.gz ZNAXMBRRHKGMBW-UHFFFAOYSA-N -2 3 385.623 0.582 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]CCC(=O)[O-])c(Br)c1 ZINC000261601632 530128376 /nfs/dbraw/zinc/12/83/76/530128376.db2.gz BUHLEDUVEJXGBC-UHFFFAOYSA-N -2 3 386.245 0.606 20 0 GCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000262356990 530133737 /nfs/dbraw/zinc/13/37/37/530133737.db2.gz BYJQIIWWGMCJNE-SDBXPKJASA-N -2 3 378.834 0.982 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC000262371949 530134413 /nfs/dbraw/zinc/13/44/13/530134413.db2.gz FPMYAUSXAJFNHM-LBPRGKRZSA-N -2 3 380.419 0.825 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000668309743 530157371 /nfs/dbraw/zinc/15/73/71/530157371.db2.gz CZDMSUOOZHKORQ-CABZTGNLSA-N -2 3 376.456 0.411 20 0 GCADHL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)C[N-]S(=O)(=O)c2cccs2)C1 ZINC000262949885 530138979 /nfs/dbraw/zinc/13/89/79/530138979.db2.gz IJRHNQYOZZINDL-LLVKDONJSA-N -2 3 386.373 0.892 20 0 GCADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-] ZINC000037417968 530143257 /nfs/dbraw/zinc/14/32/57/530143257.db2.gz RZBNXLBNVGYIGO-ZETCQYMHSA-N -2 3 388.623 0.835 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000647122538 530190179 /nfs/dbraw/zinc/19/01/79/530190179.db2.gz KYASKXGPJJCPDV-UHFFFAOYSA-N -2 3 390.723 0.718 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)s1 ZINC000556914948 530190294 /nfs/dbraw/zinc/19/02/94/530190294.db2.gz PRBWENZKVNYCEY-UHFFFAOYSA-N -2 3 382.485 0.125 20 0 GCADHL COc1cc([N-]S(=O)(=O)N2CCC[C@H]2C)c(C(=O)[O-])cc1S(C)(=O)=O ZINC000414419567 530190395 /nfs/dbraw/zinc/19/03/95/530190395.db2.gz ZZVCBRVUTZLZSN-SECBINFHSA-N -2 3 392.455 0.938 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CCCC(=O)OC)s2)o1 ZINC000265848959 530191500 /nfs/dbraw/zinc/19/15/00/530191500.db2.gz UWNKGBZRSGYISD-UHFFFAOYSA-N -2 3 388.427 0.787 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1OC ZINC000556772843 530187604 /nfs/dbraw/zinc/18/76/04/530187604.db2.gz BJKKHQAEXUIEBZ-NSHDSACASA-N -2 3 376.818 0.850 20 0 GCADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCCN1S(C)(=O)=O ZINC000564918140 530224107 /nfs/dbraw/zinc/22/41/07/530224107.db2.gz ISVNIZAAPJMVFA-MRVPVSSYSA-N -2 3 398.484 0.157 20 0 GCADHL O=C([O-])CNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000269148345 530235771 /nfs/dbraw/zinc/23/57/71/530235771.db2.gz QUOVZRJZOJBYAZ-JTQLQIEISA-N -2 3 376.818 0.612 20 0 GCADHL Cc1ncc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2cnc(C)s2)s1 ZINC000269293865 530237510 /nfs/dbraw/zinc/23/75/10/530237510.db2.gz MOZSIDOYQLKHOR-UHFFFAOYSA-N -2 3 382.514 0.473 20 0 GCADHL O=C([O-])CN(C(=O)CC[N-]S(=O)(=O)c1cccs1)C1CCOCC1 ZINC000573609217 530243510 /nfs/dbraw/zinc/24/35/10/530243510.db2.gz YGHZTOSLHARESU-UHFFFAOYSA-N -2 3 376.456 0.509 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000647232959 530246766 /nfs/dbraw/zinc/24/67/66/530246766.db2.gz KQDGGTMDWIGBIK-DOMZBBRYSA-N -2 3 376.406 0.080 20 0 GCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CCC1 ZINC000558588924 530212078 /nfs/dbraw/zinc/21/20/78/530212078.db2.gz PZXRTMFKQDGFEK-UHFFFAOYSA-N -2 3 388.467 0.757 20 0 GCADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)CCOCC1 ZINC000558871218 530217363 /nfs/dbraw/zinc/21/73/63/530217363.db2.gz XSDTUZDJARPLKL-UHFFFAOYSA-N -2 3 390.801 0.934 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1F ZINC000561093733 530273096 /nfs/dbraw/zinc/27/30/96/530273096.db2.gz WLMPSQSSVSUGIJ-DTWKUNHWSA-N -2 3 380.419 0.729 20 0 GCADHL CN1C(=O)CN([N-]C(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)C1=O ZINC000272671665 530282034 /nfs/dbraw/zinc/28/20/34/530282034.db2.gz QJKVOSFQAFOBIQ-UHFFFAOYSA-N -2 3 380.304 0.487 20 0 GCADHL C[C@@H](CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000427713314 530283627 /nfs/dbraw/zinc/28/36/27/530283627.db2.gz PMFNSLVJLCYQMS-LURJTMIESA-N -2 3 385.261 0.768 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(OC)n[nH]2)cc1F ZINC000272871087 530283833 /nfs/dbraw/zinc/28/38/33/530283833.db2.gz VLFWQGLBFXQCBK-UHFFFAOYSA-N -2 3 379.395 0.515 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)c(OC)c1 ZINC000274287320 530294770 /nfs/dbraw/zinc/29/47/70/530294770.db2.gz YGBJMMMITLNAEU-UHFFFAOYSA-N -2 3 388.414 0.363 20 0 GCADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-] ZINC000562301465 530290900 /nfs/dbraw/zinc/29/09/00/530290900.db2.gz RRTFLJJDLUICEN-WCBMZHEXSA-N -3 3 395.817 0.960 20 0 GCADHL CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)C1=O ZINC000273722046 530290904 /nfs/dbraw/zinc/29/09/04/530290904.db2.gz MNPKNPSHGOZHCS-SNVBAGLBSA-N -2 3 392.792 0.992 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(=O)OC ZINC000273769432 530290984 /nfs/dbraw/zinc/29/09/84/530290984.db2.gz XIZUFBHIADPLMV-VIFPVBQESA-N -2 3 381.309 0.046 20 0 GCADHL CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000562357103 530292171 /nfs/dbraw/zinc/29/21/71/530292171.db2.gz GTKZDOXRLWIRHS-ZCFIWIBFSA-N -2 3 385.261 0.768 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)s1 ZINC000562384371 530292263 /nfs/dbraw/zinc/29/22/63/530292263.db2.gz MENLPJUZPZTTCD-JOYOIKCWSA-N -2 3 391.471 0.335 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)s1 ZINC000562384372 530292336 /nfs/dbraw/zinc/29/23/36/530292336.db2.gz MENLPJUZPZTTCD-SKDRFNHKSA-N -2 3 391.471 0.335 20 0 GCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cc(C(=O)[O-])nn1 ZINC000562393416 530292555 /nfs/dbraw/zinc/29/25/55/530292555.db2.gz SDZIGQMHQCGECN-UHFFFAOYSA-N -2 3 388.789 0.395 20 0 GCADHL CC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-] ZINC000274886365 530301192 /nfs/dbraw/zinc/30/11/92/530301192.db2.gz FAIDJHXPNIRGMC-SNVBAGLBSA-N -2 3 380.444 0.598 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])s1 ZINC000274892122 530301347 /nfs/dbraw/zinc/30/13/47/530301347.db2.gz GERCRBQCYGRXMU-QMMMGPOBSA-N -2 3 389.411 0.241 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])s1 ZINC000274892122 530301349 /nfs/dbraw/zinc/30/13/49/530301349.db2.gz GERCRBQCYGRXMU-QMMMGPOBSA-N -2 3 389.411 0.241 20 0 GCADHL CC(C)(C)[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000274885279 530301364 /nfs/dbraw/zinc/30/13/64/530301364.db2.gz DRBUTIPHNWGBSR-LLVKDONJSA-N -2 3 382.435 0.975 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O)c(Br)c1 ZINC000274887546 530301387 /nfs/dbraw/zinc/30/13/87/530301387.db2.gz FGVOZYHRFXUEGD-WKEGUHRASA-N -2 3 396.215 0.348 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O)c(Cl)cc1Cl ZINC000274887348 530301520 /nfs/dbraw/zinc/30/15/20/530301520.db2.gz FBXXYWRQBDBZOY-FWOIEVBISA-N -2 3 386.209 0.892 20 0 GCADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000274898417 530301689 /nfs/dbraw/zinc/30/16/89/530301689.db2.gz HPHJAPWPVZBQAP-LLVKDONJSA-N -2 3 381.834 0.869 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(CC[N-]S(=O)(=O)c2cncc(Br)c2)C1 ZINC000274939376 530302408 /nfs/dbraw/zinc/30/24/08/530302408.db2.gz FZQBWCPGSIYESX-QMMMGPOBSA-N -2 3 392.231 0.056 20 0 GCADHL O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000274934712 530302537 /nfs/dbraw/zinc/30/25/37/530302537.db2.gz PQBBVZAIQAOORY-SECBINFHSA-N -2 3 380.216 0.498 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(Br)c1 ZINC000274935900 530302559 /nfs/dbraw/zinc/30/25/59/530302559.db2.gz PUCMXLCYUDWHOH-SECBINFHSA-N -2 3 396.215 0.350 20 0 GCADHL CC(C)(CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)CC(=O)[O-] ZINC000274941427 530302812 /nfs/dbraw/zinc/30/28/12/530302812.db2.gz FETPXIATJVMFPG-UHFFFAOYSA-N -2 3 382.435 0.976 20 0 GCADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000274966084 530302986 /nfs/dbraw/zinc/30/29/86/530302986.db2.gz VRKVVNVHCPFASU-VIFPVBQESA-N -2 3 396.874 0.689 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1F ZINC000274964194 530303042 /nfs/dbraw/zinc/30/30/42/530303042.db2.gz VIYNHHBQTVDTAZ-LBPRGKRZSA-N -2 3 398.434 0.090 20 0 GCADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000274966078 530303065 /nfs/dbraw/zinc/30/30/65/530303065.db2.gz VRKVVNVHCPFASU-SECBINFHSA-N -2 3 396.874 0.689 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CSC[C@H]2C(=O)[O-])cc1F ZINC000274963729 530303132 /nfs/dbraw/zinc/30/31/32/530303132.db2.gz JOBITHZLWXZRLL-NSHDSACASA-N -2 3 398.459 0.736 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](O)C(=O)[O-])cc1F ZINC000274959326 530303162 /nfs/dbraw/zinc/30/31/62/530303162.db2.gz UTMQLPTVMVHKRJ-LBPRGKRZSA-N 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O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275028989 530304564 /nfs/dbraw/zinc/30/45/64/530304564.db2.gz CGLKWCBPXWJVKS-GXSJLCMTSA-N -2 3 379.818 0.479 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](C(=O)[O-])C2)cc1F ZINC000275043030 530304753 /nfs/dbraw/zinc/30/47/53/530304753.db2.gz RIMYNPLNFQSLNC-VHSXEESVSA-N -2 3 392.430 0.895 20 0 GCADHL Cn1cnc(S(=O)(=O)[N-][C@@H](CSCCOc2ccccc2)C(=O)[O-])c1 ZINC000275037386 530304990 /nfs/dbraw/zinc/30/49/90/530304990.db2.gz QRSZIKZUTJRFRW-ZDUSSCGKSA-N -2 3 385.467 0.964 20 0 GCADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000275047139 530305405 /nfs/dbraw/zinc/30/54/05/530305405.db2.gz HPHJAPWPVZBQAP-NSHDSACASA-N -2 3 381.834 0.869 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(C(=O)[O-])C2)cc1F ZINC000275100252 530306354 /nfs/dbraw/zinc/30/63/54/530306354.db2.gz IPHHFSGXMMBUEK-UHFFFAOYSA-N -2 3 380.419 0.681 20 0 GCADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000277286733 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XYVMXXRVEHONKM-UHFFFAOYSA-N -2 3 394.392 0.091 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)cn12 ZINC000737533647 598856238 /nfs/dbraw/zinc/85/62/38/598856238.db2.gz PNFKNZVMJIEAPD-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000737533647 598856239 /nfs/dbraw/zinc/85/62/39/598856239.db2.gz PNFKNZVMJIEAPD-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737916700 598856400 /nfs/dbraw/zinc/85/64/00/598856400.db2.gz QWWURFOBTCRZMM-LBPRGKRZSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737916700 598856402 /nfs/dbraw/zinc/85/64/02/598856402.db2.gz QWWURFOBTCRZMM-LBPRGKRZSA-N -2 3 381.414 0.008 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1COc2ccccc21 ZINC000738140865 598856619 /nfs/dbraw/zinc/85/66/19/598856619.db2.gz YBHBQUPDCQXWIH-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1COc2ccccc21 ZINC000738140865 598856621 /nfs/dbraw/zinc/85/66/21/598856621.db2.gz YBHBQUPDCQXWIH-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL Cn1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1=O ZINC000737613434 598857573 /nfs/dbraw/zinc/85/75/73/598857573.db2.gz OLIQSVRYKYGTMQ-UHFFFAOYSA-N -2 3 394.800 0.338 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000735733954 598858028 /nfs/dbraw/zinc/85/80/28/598858028.db2.gz DGKGRSNULKQDET-BXUZGUMPSA-N -2 3 395.441 0.505 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000735733954 598858029 /nfs/dbraw/zinc/85/80/29/598858029.db2.gz DGKGRSNULKQDET-BXUZGUMPSA-N -2 3 395.441 0.505 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737932614 598859200 /nfs/dbraw/zinc/85/92/00/598859200.db2.gz OUUOXQARDUGXGY-LBPRGKRZSA-N -2 3 383.455 0.335 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737932614 598859201 /nfs/dbraw/zinc/85/92/01/598859201.db2.gz OUUOXQARDUGXGY-LBPRGKRZSA-N -2 3 383.455 0.335 20 0 GCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737438004 598890781 /nfs/dbraw/zinc/89/07/81/598890781.db2.gz XGDXZQLZMRIUBL-NSHDSACASA-N -2 3 388.409 0.843 20 0 GCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737438004 598890783 /nfs/dbraw/zinc/89/07/83/598890783.db2.gz XGDXZQLZMRIUBL-NSHDSACASA-N -2 3 388.409 0.843 20 0 GCADHL Cc1cc(S(C)(=O)=O)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737283532 598909452 /nfs/dbraw/zinc/90/94/52/598909452.db2.gz SUZKABOIGCSQQM-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000737223741 598947183 /nfs/dbraw/zinc/94/71/83/598947183.db2.gz DTWCVFIPLFRQNW-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000737223741 598947184 /nfs/dbraw/zinc/94/71/84/598947184.db2.gz DTWCVFIPLFRQNW-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000737300437 598975315 /nfs/dbraw/zinc/97/53/15/598975315.db2.gz XLYRBBOXPBRARE-JTQLQIEISA-N -2 3 394.457 0.531 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC000737300437 598975317 /nfs/dbraw/zinc/97/53/17/598975317.db2.gz XLYRBBOXPBRARE-JTQLQIEISA-N -2 3 394.457 0.531 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)cn12 ZINC000737298380 598976109 /nfs/dbraw/zinc/97/61/09/598976109.db2.gz IVDSNZPVWGOSJS-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)cn12 ZINC000737298380 598976111 /nfs/dbraw/zinc/97/61/11/598976111.db2.gz IVDSNZPVWGOSJS-UHFFFAOYSA-N -2 3 398.408 0.645 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)F ZINC000737297894 598976324 /nfs/dbraw/zinc/97/63/24/598976324.db2.gz DYRLGAIAEGCKMR-UHFFFAOYSA-N -2 3 397.367 0.965 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn(C)c1C(F)F ZINC000737297894 598976326 /nfs/dbraw/zinc/97/63/26/598976326.db2.gz DYRLGAIAEGCKMR-UHFFFAOYSA-N -2 3 397.367 0.965 20 0 GCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)[nH]n1 ZINC000736496823 598973769 /nfs/dbraw/zinc/97/37/69/598973769.db2.gz IQQZPWLIFLWFFW-UHFFFAOYSA-N -2 3 375.414 0.969 20 0 GCADHL CCCc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)[nH]n1 ZINC000736496823 598973771 /nfs/dbraw/zinc/97/37/71/598973771.db2.gz IQQZPWLIFLWFFW-UHFFFAOYSA-N -2 3 375.414 0.969 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000737299483 598975251 /nfs/dbraw/zinc/97/52/51/598975251.db2.gz QJICCLVLCWUNJW-CYBMUJFWSA-N -2 3 395.441 0.566 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOC[C@H]1CCCO1 ZINC000737299483 598975252 /nfs/dbraw/zinc/97/52/52/598975252.db2.gz QJICCLVLCWUNJW-CYBMUJFWSA-N -2 3 395.441 0.566 20 0 GCADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000737163961 598977770 /nfs/dbraw/zinc/97/77/70/598977770.db2.gz VSSJKXXVIJLEOQ-UHFFFAOYSA-N -2 3 375.370 0.092 20 0 GCADHL COc1ncc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000737163961 598977772 /nfs/dbraw/zinc/97/77/72/598977772.db2.gz VSSJKXXVIJLEOQ-UHFFFAOYSA-N -2 3 375.370 0.092 20 0 GCADHL O=C(C[C@@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737811437 599026156 /nfs/dbraw/zinc/02/61/56/599026156.db2.gz BIANSOQJQRIUBX-ZDUSSCGKSA-N -2 3 398.404 0.798 20 0 GCADHL O=C(C[C@@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737811437 599026158 /nfs/dbraw/zinc/02/61/58/599026158.db2.gz BIANSOQJQRIUBX-ZDUSSCGKSA-N -2 3 398.404 0.798 20 0 GCADHL CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000736397387 599106016 /nfs/dbraw/zinc/10/60/16/599106016.db2.gz UKTTZPXCFJRYBK-GOSISDBHSA-N -2 3 392.379 0.764 20 0 GCADHL CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000736397389 599106336 /nfs/dbraw/zinc/10/63/36/599106336.db2.gz UKTTZPXCFJRYBK-SFHVURJKSA-N -2 3 392.379 0.764 20 0 GCADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738218498 599138196 /nfs/dbraw/zinc/13/81/96/599138196.db2.gz GZJAYIFYIFCFJR-UHFFFAOYSA-N -2 3 385.365 0.441 20 0 GCADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738218498 599138200 /nfs/dbraw/zinc/13/82/00/599138200.db2.gz GZJAYIFYIFCFJR-UHFFFAOYSA-N -2 3 385.365 0.441 20 0 GCADHL CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821314429 607259575 /nfs/dbraw/zinc/25/95/75/607259575.db2.gz LIGNRUQCXYXMCS-SSDOTTSWSA-N -2 3 375.357 0.622 20 0 GCADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000822714286 599231450 /nfs/dbraw/zinc/23/14/50/599231450.db2.gz JWXOVPYGTOJLTM-UHFFFAOYSA-N -2 3 384.385 0.253 20 0 GCADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736938369 599229240 /nfs/dbraw/zinc/22/92/40/599229240.db2.gz CXWKKLQGKOUWFY-UHFFFAOYSA-N -2 3 389.397 0.919 20 0 GCADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736938369 599229242 /nfs/dbraw/zinc/22/92/42/599229242.db2.gz CXWKKLQGKOUWFY-UHFFFAOYSA-N -2 3 389.397 0.919 20 0 GCADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000738088912 599245872 /nfs/dbraw/zinc/24/58/72/599245872.db2.gz MZCKLIIFQKZSOM-UHFFFAOYSA-N -2 3 394.351 0.425 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736170003 598306648 /nfs/dbraw/zinc/30/66/48/598306648.db2.gz QLUWFLIGMUDFBH-FZMZJTMJSA-N -2 3 395.441 0.649 20 0 GCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737800130 598306995 /nfs/dbraw/zinc/30/69/95/598306995.db2.gz KKVPHKOGSZIHQB-MMQHEFTJSA-N -2 3 377.426 0.895 20 0 GCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737800130 598306997 /nfs/dbraw/zinc/30/69/97/598306997.db2.gz KKVPHKOGSZIHQB-MMQHEFTJSA-N -2 3 377.426 0.895 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736932404 598331944 /nfs/dbraw/zinc/33/19/44/598331944.db2.gz LSKWFBMAOLIDIQ-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736932404 598331946 /nfs/dbraw/zinc/33/19/46/598331946.db2.gz LSKWFBMAOLIDIQ-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2cnnc2)cc1 ZINC000738139134 598332326 /nfs/dbraw/zinc/33/23/26/598332326.db2.gz LBMSDLLUGPXNSL-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cnnc2)cc1 ZINC000738139134 598332328 /nfs/dbraw/zinc/33/23/28/598332328.db2.gz LBMSDLLUGPXNSL-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738138666 598332461 /nfs/dbraw/zinc/33/24/61/598332461.db2.gz HQTBJWVCRUVMJB-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738138666 598332462 /nfs/dbraw/zinc/33/24/62/598332462.db2.gz HQTBJWVCRUVMJB-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C ZINC000736727202 598414766 /nfs/dbraw/zinc/41/47/66/598414766.db2.gz CIWGISXOJHARLT-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C ZINC000736727202 598414768 /nfs/dbraw/zinc/41/47/68/598414768.db2.gz CIWGISXOJHARLT-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL CC(C)CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)cc1 ZINC000735817841 598423508 /nfs/dbraw/zinc/42/35/08/598423508.db2.gz FPCDUIXNNRGLBE-UHFFFAOYSA-N -2 3 393.411 0.941 20 0 GCADHL CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735873507 598423982 /nfs/dbraw/zinc/42/39/82/598423982.db2.gz BJMUCRPPWCPWNQ-UHFFFAOYSA-N -2 3 393.411 0.689 20 0 GCADHL CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000735873507 598423984 /nfs/dbraw/zinc/42/39/84/598423984.db2.gz BJMUCRPPWCPWNQ-UHFFFAOYSA-N -2 3 393.411 0.689 20 0 GCADHL O=C(c1cncc([O-])c1)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000738284788 598719483 /nfs/dbraw/zinc/71/94/83/598719483.db2.gz YAHMWMKWRWMCCU-UHFFFAOYSA-N -2 3 382.384 0.795 20 0 GCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737930787 598752599 /nfs/dbraw/zinc/75/25/99/598752599.db2.gz OBJZLDCLGPLWOZ-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737930787 598752600 /nfs/dbraw/zinc/75/26/00/598752600.db2.gz OBJZLDCLGPLWOZ-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2OC)c[n-]1 ZINC000736951946 599334755 /nfs/dbraw/zinc/33/47/55/599334755.db2.gz WMKSJAFXWOBLSR-UHFFFAOYSA-N -2 3 379.354 0.758 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2OC)c[n-]1 ZINC000736951946 599334756 /nfs/dbraw/zinc/33/47/56/599334756.db2.gz WMKSJAFXWOBLSR-UHFFFAOYSA-N -2 3 379.354 0.758 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735884345 599358633 /nfs/dbraw/zinc/35/86/33/599358633.db2.gz KVUVGNVWSYZZSE-UHFFFAOYSA-N -2 3 380.430 0.367 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735884345 599358636 /nfs/dbraw/zinc/35/86/36/599358636.db2.gz KVUVGNVWSYZZSE-UHFFFAOYSA-N -2 3 380.430 0.367 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820051091 599619587 /nfs/dbraw/zinc/61/95/87/599619587.db2.gz KUHSRDBLZAOLEZ-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820051091 599619588 /nfs/dbraw/zinc/61/95/88/599619588.db2.gz KUHSRDBLZAOLEZ-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821114517 599620031 /nfs/dbraw/zinc/62/00/31/599620031.db2.gz VOQPJZXSTBQLGR-UHFFFAOYSA-N -2 3 380.430 0.368 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821114517 599620032 /nfs/dbraw/zinc/62/00/32/599620032.db2.gz VOQPJZXSTBQLGR-UHFFFAOYSA-N -2 3 380.430 0.368 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1C1CC1 ZINC000822705107 599620244 /nfs/dbraw/zinc/62/02/44/599620244.db2.gz VURJXRPKEGOGSF-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1C1CC1 ZINC000822705107 599620245 /nfs/dbraw/zinc/62/02/45/599620245.db2.gz VURJXRPKEGOGSF-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821903079 599625515 /nfs/dbraw/zinc/62/55/15/599625515.db2.gz AMYDIQCILFBUJU-UHFFFAOYSA-N -2 3 389.393 0.759 20 0 GCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821903079 599625516 /nfs/dbraw/zinc/62/55/16/599625516.db2.gz AMYDIQCILFBUJU-UHFFFAOYSA-N -2 3 389.393 0.759 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821164743 599626250 /nfs/dbraw/zinc/62/62/50/599626250.db2.gz KHLWHNYGMJULOX-UHFFFAOYSA-N -2 3 382.446 0.729 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821164743 599626251 /nfs/dbraw/zinc/62/62/51/599626251.db2.gz KHLWHNYGMJULOX-UHFFFAOYSA-N -2 3 382.446 0.729 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000737226210 599986682 /nfs/dbraw/zinc/98/66/82/599986682.db2.gz FCWKQORJNBFCDF-ZDUSSCGKSA-N -2 3 387.414 0.774 20 0 GCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737608840 600010409 /nfs/dbraw/zinc/01/04/09/600010409.db2.gz PABFLQNTGDXASO-UHFFFAOYSA-N -2 3 390.389 0.212 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826424086 607424558 /nfs/dbraw/zinc/42/45/58/607424558.db2.gz VFMOSDZAWGOGFL-UHFFFAOYSA-N -2 3 377.368 0.057 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826424086 607424559 /nfs/dbraw/zinc/42/45/59/607424559.db2.gz VFMOSDZAWGOGFL-UHFFFAOYSA-N -2 3 377.368 0.057 20 0 GCADHL Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)cnc21 ZINC000738998549 600204888 /nfs/dbraw/zinc/20/48/88/600204888.db2.gz LDTMDNLAMLQRFR-UHFFFAOYSA-N -2 3 376.354 0.155 20 0 GCADHL O=C([O-])[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ccccc21 ZINC000739603726 600278892 /nfs/dbraw/zinc/27/88/92/600278892.db2.gz DZPKEHUODBSJTG-VIFPVBQESA-N -2 3 394.181 0.926 20 0 GCADHL C[C@H](CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736587551 600415159 /nfs/dbraw/zinc/41/51/59/600415159.db2.gz YDNFGHPHSQWDRY-CYBMUJFWSA-N -2 3 394.453 0.862 20 0 GCADHL NC(=O)c1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000739182263 600434978 /nfs/dbraw/zinc/43/49/78/600434978.db2.gz GQHVMIOZHMDEGW-SNVBAGLBSA-N -2 3 379.394 0.634 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(CC(=O)[O-])c2)c(F)c1 ZINC000738163331 600529756 /nfs/dbraw/zinc/52/97/56/600529756.db2.gz BAUNUJDRUKDWBF-UHFFFAOYSA-N -3 3 392.390 0.279 20 0 GCADHL CS(=O)(=O)c1nc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c2ccccn21 ZINC000738175613 600631585 /nfs/dbraw/zinc/63/15/85/600631585.db2.gz BLYAJFUOXLVMKB-UHFFFAOYSA-N -2 3 395.422 0.859 20 0 GCADHL Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)n(C)n1 ZINC000832890952 600988230 /nfs/dbraw/zinc/98/82/30/600988230.db2.gz IPSQTCROERXIIF-JTQLQIEISA-N -2 3 382.398 0.494 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]Cc2cccnc2N2CCOCC2)cc1C(=O)[O-] ZINC000833026679 601216238 /nfs/dbraw/zinc/21/62/38/601216238.db2.gz HOFMFQYYVQMVMV-UHFFFAOYSA-N -2 3 381.410 0.996 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3C(N)=O)C2)cc1C(=O)[O-] ZINC000833028936 601221985 /nfs/dbraw/zinc/22/19/85/601221985.db2.gz ULFWWPKGEAEKGK-LLVKDONJSA-N -2 3 393.421 0.942 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027741 601224082 /nfs/dbraw/zinc/22/40/82/601224082.db2.gz JBHRTLHFAYCILF-PELKAZGASA-N -2 3 382.398 0.492 20 0 GCADHL CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826980357 601233520 /nfs/dbraw/zinc/23/35/20/601233520.db2.gz IYOHJVZBPZWTFW-UHFFFAOYSA-N -2 3 386.398 0.269 20 0 GCADHL O=C([O-])c1cc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)ccn1 ZINC000833110433 601249385 /nfs/dbraw/zinc/24/93/85/601249385.db2.gz QWWSKPNFMYDIDN-UHFFFAOYSA-N -2 3 383.320 0.503 20 0 GCADHL CC(C)S(=O)(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000828472921 601265936 /nfs/dbraw/zinc/26/59/36/601265936.db2.gz SZPDHFHIVROMLD-QWRGUYRKSA-N -2 3 394.471 0.705 20 0 GCADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000831568023 601295178 /nfs/dbraw/zinc/29/51/78/601295178.db2.gz TZQKOIWVTPCEKJ-INIZCTEOSA-N -2 3 388.417 0.876 20 0 GCADHL COC[C@@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000831554077 601303501 /nfs/dbraw/zinc/30/35/01/601303501.db2.gz VCRFPQIWZOADQF-GFCCVEGCSA-N -2 3 384.863 0.676 20 0 GCADHL CC(C)C[C@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000826787743 601592912 /nfs/dbraw/zinc/59/29/12/601592912.db2.gz UEWSUDKSIMSVNZ-INIZCTEOSA-N -2 3 377.441 0.766 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1F ZINC000831029305 601624656 /nfs/dbraw/zinc/62/46/56/601624656.db2.gz NBZBDNWRKAHLLZ-GFCCVEGCSA-N -2 3 388.417 0.830 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)ccc1F ZINC000831029110 601625954 /nfs/dbraw/zinc/62/59/54/601625954.db2.gz GUXITKPVGUXFFM-UHFFFAOYSA-N -2 3 388.417 0.830 20 0 GCADHL O=C([O-])C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCO1 ZINC000833216352 601742566 /nfs/dbraw/zinc/74/25/66/601742566.db2.gz LZWHAKXZHCHOAR-QMMMGPOBSA-N -2 3 382.847 0.382 20 0 GCADHL COc1cc(OC)cc(N2CC[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C2=O)c1 ZINC000832088562 601798879 /nfs/dbraw/zinc/79/88/79/601798879.db2.gz QLYOLSOVBGEZDX-HZMBPMFUSA-N -2 3 386.426 0.449 20 0 GCADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCS(=O)(=O)CC1 ZINC000833178635 601808834 /nfs/dbraw/zinc/80/88/34/601808834.db2.gz XMSRSOHJYZSKTK-UHFFFAOYSA-N -2 3 385.822 0.789 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1-c1nnn[n-]1 ZINC000826304083 607536862 /nfs/dbraw/zinc/53/68/62/607536862.db2.gz VINYGLGFMYXXTO-UHFFFAOYSA-N -2 3 388.409 0.907 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1-c1nn[n-]n1 ZINC000826304083 607536863 /nfs/dbraw/zinc/53/68/63/607536863.db2.gz VINYGLGFMYXXTO-UHFFFAOYSA-N -2 3 388.409 0.907 20 0 GCADHL O=C([O-])Cc1cccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000738621385 602121953 /nfs/dbraw/zinc/12/19/53/602121953.db2.gz STZWJULJENJVFU-UHFFFAOYSA-N -2 3 385.376 0.504 20 0 GCADHL CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000097996888 602150186 /nfs/dbraw/zinc/15/01/86/602150186.db2.gz GKQPFURNHHVXHO-SSDOTTSWSA-N -2 3 383.220 0.349 20 0 GCADHL C[C@@H](Cn1cncn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761286608 602154024 /nfs/dbraw/zinc/15/40/24/602154024.db2.gz NGMGTXSYGFZAEE-LURJTMIESA-N -2 3 379.192 0.699 20 0 GCADHL CN1CCN(C)[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000387262599 602155028 /nfs/dbraw/zinc/15/50/28/602155028.db2.gz UUZXJWRQYWVRKA-QMMMGPOBSA-N -2 3 396.263 0.264 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769459286 602161059 /nfs/dbraw/zinc/16/10/59/602161059.db2.gz LZJAWSZRBXFGEI-JTQLQIEISA-N -2 3 393.849 0.352 20 0 GCADHL CON(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831837111 602222313 /nfs/dbraw/zinc/22/23/13/602222313.db2.gz WHYRVRCCOQQMPJ-JTQLQIEISA-N -2 3 380.444 0.706 20 0 GCADHL COC1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCOCC1 ZINC000826144871 607556060 /nfs/dbraw/zinc/55/60/60/607556060.db2.gz UPJWVGAMONQHEK-UHFFFAOYSA-N -2 3 389.384 0.619 20 0 GCADHL C[C@@H](CC(=O)N1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000737656936 602450262 /nfs/dbraw/zinc/45/02/62/602450262.db2.gz PERCXXSMODFTOO-JTQLQIEISA-N -2 3 390.849 0.614 20 0 GCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)[N-]OCc1cccnc1 ZINC000825621434 607631629 /nfs/dbraw/zinc/63/16/29/607631629.db2.gz SWLOZUZZYUXJGN-UHFFFAOYSA-N -2 3 383.368 0.847 20 0 GCADHL CN(C)c1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000825883259 607682497 /nfs/dbraw/zinc/68/24/97/607682497.db2.gz FKXSQZSMHKBUFS-UHFFFAOYSA-N -2 3 382.356 0.802 20 0 GCADHL CN(C)c1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000825883259 607682498 /nfs/dbraw/zinc/68/24/98/607682498.db2.gz FKXSQZSMHKBUFS-UHFFFAOYSA-N -2 3 382.356 0.802 20 0 GCADHL COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000831072378 604473697 /nfs/dbraw/zinc/47/36/97/604473697.db2.gz KAQSHRQYEGRCKQ-MRVPVSSYSA-N -2 3 384.179 0.883 20 0 GCADHL CNC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000830979067 604506612 /nfs/dbraw/zinc/50/66/12/604506612.db2.gz PJXWKEXDPGHJBW-QMMMGPOBSA-N -2 3 383.220 0.789 20 0 GCADHL C[C@@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1C(=O)[O-] ZINC000263212324 604810661 /nfs/dbraw/zinc/81/06/61/604810661.db2.gz ZGCKZFFWKVOCEO-PSASIEDQSA-N -2 3 380.419 0.538 20 0 GCADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)n[nH]1 ZINC000833674591 605005172 /nfs/dbraw/zinc/00/51/72/605005172.db2.gz UNRMDABDGUVMGG-ZCFIWIBFSA-N -2 3 388.427 0.953 20 0 GCADHL CN(C)C(=O)COc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833687967 605019428 /nfs/dbraw/zinc/01/94/28/605019428.db2.gz FAROSFNGHRCPEH-UHFFFAOYSA-N -2 3 399.450 0.787 20 0 GCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833597406 605041230 /nfs/dbraw/zinc/04/12/30/605041230.db2.gz LNEFHGCMXFMZMH-ABAIWWIYSA-N -2 3 392.437 0.732 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)nn1C ZINC000820187713 606134130 /nfs/dbraw/zinc/13/41/30/606134130.db2.gz OBESCQXIRRCMBC-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)nn1C ZINC000820187713 606134131 /nfs/dbraw/zinc/13/41/31/606134131.db2.gz OBESCQXIRRCMBC-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1 ZINC000822224150 606156815 /nfs/dbraw/zinc/15/68/15/606156815.db2.gz XXLHRKZPRPPQGJ-UHFFFAOYSA-N -2 3 398.408 0.576 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnc2c(cnn2C)c1 ZINC000822224150 606156817 /nfs/dbraw/zinc/15/68/17/606156817.db2.gz XXLHRKZPRPPQGJ-UHFFFAOYSA-N -2 3 398.408 0.576 20 0 GCADHL COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655772 606205633 /nfs/dbraw/zinc/20/56/33/606205633.db2.gz RJHLOYZKLSVLHI-VXGBXAGGSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655772 606205635 /nfs/dbraw/zinc/20/56/35/606205635.db2.gz RJHLOYZKLSVLHI-VXGBXAGGSA-N -2 3 393.425 0.651 20 0 GCADHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc21 ZINC000821620524 606210792 /nfs/dbraw/zinc/21/07/92/606210792.db2.gz NYNUXSBQBCYTDO-UHFFFAOYSA-N -2 3 386.393 0.892 20 0 GCADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)cc12 ZINC000822496601 606338075 /nfs/dbraw/zinc/33/80/75/606338075.db2.gz RRJQESFMZQJLEN-UHFFFAOYSA-N -2 3 386.397 0.963 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1OC ZINC000821845170 606405813 /nfs/dbraw/zinc/40/58/13/606405813.db2.gz BYANAOODEGIGSQ-UHFFFAOYSA-N -2 3 392.397 0.341 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1OC ZINC000821845170 606405815 /nfs/dbraw/zinc/40/58/15/606405815.db2.gz BYANAOODEGIGSQ-UHFFFAOYSA-N -2 3 392.397 0.341 20 0 GCADHL Cc1nc(SCC(=O)NCc2n[nH]c(=O)[n-]2)c(-c2nnn[n-]2)c(C)c1C ZINC000822454329 606640611 /nfs/dbraw/zinc/64/06/11/606640611.db2.gz VMVUJVARLSQFNT-UHFFFAOYSA-N -2 3 375.418 0.419 20 0 GCADHL Cc1nc(SCC(=O)NCc2n[nH]c(=O)[n-]2)c(-c2nn[n-]n2)c(C)c1C ZINC000822454329 606640612 /nfs/dbraw/zinc/64/06/12/606640612.db2.gz VMVUJVARLSQFNT-UHFFFAOYSA-N -2 3 375.418 0.419 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1F ZINC000821667819 606708331 /nfs/dbraw/zinc/70/83/31/606708331.db2.gz BNSIGVOPTUKDOT-UHFFFAOYSA-N -2 3 381.349 0.327 20 0 GCADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821343851 606708988 /nfs/dbraw/zinc/70/89/88/606708988.db2.gz WCTGQQLQNWCWLM-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(C)c1 ZINC000821670155 606709323 /nfs/dbraw/zinc/70/93/23/606709323.db2.gz PHMMCGLUJRQRGZ-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1F ZINC000822183918 606709475 /nfs/dbraw/zinc/70/94/75/606709475.db2.gz LXSDDICTZDWFPA-UHFFFAOYSA-N -3 3 381.349 0.547 20 0 GCADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1C ZINC000822182915 606710489 /nfs/dbraw/zinc/71/04/89/606710489.db2.gz DFBPVKBBZVAXCG-UHFFFAOYSA-N -3 3 377.386 0.716 20 0 GCADHL COc1cc(F)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1OC ZINC000821719693 606710874 /nfs/dbraw/zinc/71/08/74/606710874.db2.gz HTARDDDYUJNGGR-UHFFFAOYSA-N -2 3 383.365 0.557 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 ZINC000822622399 606710988 /nfs/dbraw/zinc/71/09/88/606710988.db2.gz CKDRHTABMFMFCE-UHFFFAOYSA-N -2 3 388.413 0.631 20 0 GCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000821669230 606787743 /nfs/dbraw/zinc/78/77/43/606787743.db2.gz BETFUWUTKLKDLU-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C(N)=O ZINC000821919866 606788390 /nfs/dbraw/zinc/78/83/90/606788390.db2.gz IDLVGNIECZQHOL-UHFFFAOYSA-N -2 3 393.360 0.309 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C(N)=O ZINC000821919866 606788391 /nfs/dbraw/zinc/78/83/91/606788391.db2.gz IDLVGNIECZQHOL-UHFFFAOYSA-N -2 3 393.360 0.309 20 0 GCADHL CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820838277 606794963 /nfs/dbraw/zinc/79/49/63/606794963.db2.gz RFSQYNKNPJSJDH-SECBINFHSA-N -2 3 386.384 0.434 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1F ZINC000821644890 606848553 /nfs/dbraw/zinc/84/85/53/606848553.db2.gz LUNWHGACLJSHDJ-ZDUSSCGKSA-N -2 3 392.372 0.593 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1F ZINC000821644890 606848554 /nfs/dbraw/zinc/84/85/54/606848554.db2.gz LUNWHGACLJSHDJ-ZDUSSCGKSA-N -2 3 392.372 0.593 20 0 GCADHL NC(=O)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000822851683 606885503 /nfs/dbraw/zinc/88/55/03/606885503.db2.gz YWFSOJCKXQFSEX-GFCCVEGCSA-N -2 3 394.363 0.650 20 0 GCADHL COC(=O)CCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821660281 606888142 /nfs/dbraw/zinc/88/81/42/606888142.db2.gz LTJKQHZAYPPYNR-UHFFFAOYSA-N -2 3 375.357 0.767 20 0 GCADHL COCCOCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821692389 606888916 /nfs/dbraw/zinc/88/89/16/606888916.db2.gz WDYSQZKXMPVPFS-UHFFFAOYSA-N -2 3 391.400 0.866 20 0 GCADHL O=S(=O)([N-]CCNc1cnccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578401 606889511 /nfs/dbraw/zinc/88/95/11/606889511.db2.gz OOASWRCEFNTVCY-UHFFFAOYSA-N -2 3 382.356 0.325 20 0 GCADHL CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819922590 606889728 /nfs/dbraw/zinc/88/97/28/606889728.db2.gz MSBMEUBMTBTPMA-UHFFFAOYSA-N -2 3 388.400 0.728 20 0 GCADHL O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572526 606892949 /nfs/dbraw/zinc/89/29/49/606892949.db2.gz IQQWCWYPDPZAFN-QMMMGPOBSA-N -2 3 382.356 0.030 20 0 GCADHL COC[C@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000821680294 606896004 /nfs/dbraw/zinc/89/60/04/606896004.db2.gz FODLSTPFFPHBQR-ZDUSSCGKSA-N -2 3 391.356 0.001 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823118553 606949032 /nfs/dbraw/zinc/94/90/32/606949032.db2.gz FKLZDXZMIDWWTP-UHFFFAOYSA-N -2 3 396.367 0.264 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823118553 606949034 /nfs/dbraw/zinc/94/90/34/606949034.db2.gz FKLZDXZMIDWWTP-UHFFFAOYSA-N -2 3 396.367 0.264 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000823060559 606953831 /nfs/dbraw/zinc/95/38/31/606953831.db2.gz GVWXUVBPFXIMIR-UHFFFAOYSA-N -2 3 391.438 0.395 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cnccn1 ZINC000823060559 606953833 /nfs/dbraw/zinc/95/38/33/606953833.db2.gz GVWXUVBPFXIMIR-UHFFFAOYSA-N -2 3 391.438 0.395 20 0 GCADHL O=C(C[C@H]1COC(=O)C1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822946440 607085083 /nfs/dbraw/zinc/08/50/83/607085083.db2.gz XSRDNCNWEBQHAE-SSDOTTSWSA-N -2 3 385.789 0.278 20 0 GCADHL O=C(C[C@H]1COC(=O)C1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822946440 607085085 /nfs/dbraw/zinc/08/50/85/607085085.db2.gz XSRDNCNWEBQHAE-SSDOTTSWSA-N -2 3 385.789 0.278 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OCC(F)(F)F ZINC000820450304 607099637 /nfs/dbraw/zinc/09/96/37/607099637.db2.gz JJWCUUZWLGBZIW-ZETCQYMHSA-N -2 3 394.335 0.144 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OCC(F)(F)F ZINC000820450304 607099638 /nfs/dbraw/zinc/09/96/38/607099638.db2.gz JJWCUUZWLGBZIW-ZETCQYMHSA-N -2 3 394.335 0.144 20 0 GCADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821449179 607154949 /nfs/dbraw/zinc/15/49/49/607154949.db2.gz QRTLOKSFZAXGLG-UHFFFAOYSA-N -2 3 397.442 0.195 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823387828 607206851 /nfs/dbraw/zinc/20/68/51/607206851.db2.gz ZPGDPISOARTCLL-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823387828 607206852 /nfs/dbraw/zinc/20/68/52/607206852.db2.gz ZPGDPISOARTCLL-HNNXBMFYSA-N -2 3 387.421 0.982 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825523649 607777445 /nfs/dbraw/zinc/77/74/45/607777445.db2.gz RTUWPJRGWCDYSF-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825523649 607777446 /nfs/dbraw/zinc/77/74/46/607777446.db2.gz RTUWPJRGWCDYSF-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826365425 607816520 /nfs/dbraw/zinc/81/65/20/607816520.db2.gz NXNVRWYFNGBNFJ-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826365425 607816521 /nfs/dbraw/zinc/81/65/21/607816521.db2.gz NXNVRWYFNGBNFJ-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236705 607985659 /nfs/dbraw/zinc/98/56/59/607985659.db2.gz YWKLPXDSGJNVGN-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236705 607985660 /nfs/dbraw/zinc/98/56/60/607985660.db2.gz YWKLPXDSGJNVGN-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL O=S(=O)([N-]C[C@]1(CCO)CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490031 608000903 /nfs/dbraw/zinc/00/09/03/608000903.db2.gz IATGFJVXLGCYPH-AWEZNQCLSA-N -2 3 389.384 0.212 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824737645 608075794 /nfs/dbraw/zinc/07/57/94/608075794.db2.gz JQVCSVCLWFLCPO-QWRGUYRKSA-N -2 3 381.414 0.117 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824744801 608076182 /nfs/dbraw/zinc/07/61/82/608076182.db2.gz GHHKFUBJGINDOQ-WDEREUQCSA-N -2 3 381.414 0.117 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824744801 608076183 /nfs/dbraw/zinc/07/61/83/608076183.db2.gz GHHKFUBJGINDOQ-WDEREUQCSA-N -2 3 381.414 0.117 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825485085 608101930 /nfs/dbraw/zinc/10/19/30/608101930.db2.gz CKLWHIVLEKDETM-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825485085 608101931 /nfs/dbraw/zinc/10/19/31/608101931.db2.gz CKLWHIVLEKDETM-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826358614 608141901 /nfs/dbraw/zinc/14/19/01/608141901.db2.gz AUOJTUYJPBVYSG-UHFFFAOYSA-N -2 3 389.441 0.524 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826358614 608141902 /nfs/dbraw/zinc/14/19/02/608141902.db2.gz AUOJTUYJPBVYSG-UHFFFAOYSA-N -2 3 389.441 0.524 20 0 GCADHL CNC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826060745 608240180 /nfs/dbraw/zinc/24/01/80/608240180.db2.gz SCWXIOCEXTZRIW-KCJUWKMLSA-N -2 3 386.384 0.338 20 0 GCADHL CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1 ZINC000823988132 608306728 /nfs/dbraw/zinc/30/67/28/608306728.db2.gz DCXQRHOQSKQVIX-ZCFIWIBFSA-N -2 3 382.431 0.649 20 0 GCADHL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826209480 608307516 /nfs/dbraw/zinc/30/75/16/608307516.db2.gz DQNXLPUXULEKDW-UHFFFAOYSA-N -2 3 378.374 0.358 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000826358140 608333295 /nfs/dbraw/zinc/33/32/95/608333295.db2.gz GVUYASHDJSRKIB-UHFFFAOYSA-N -2 3 388.409 0.649 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000826358140 608333296 /nfs/dbraw/zinc/33/32/96/608333296.db2.gz GVUYASHDJSRKIB-UHFFFAOYSA-N -2 3 388.409 0.649 20 0 GCADHL COC[C@@](C)([N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)OC ZINC000826148286 608338886 /nfs/dbraw/zinc/33/88/86/608338886.db2.gz DRUGEAYMJHJJCF-CQSZACIVSA-N -2 3 387.393 0.003 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000826393296 608351459 /nfs/dbraw/zinc/35/14/59/608351459.db2.gz LSVZDBGRGQBEQX-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000826393296 608351462 /nfs/dbraw/zinc/35/14/62/608351462.db2.gz LSVZDBGRGQBEQX-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CO1 ZINC000824813212 608473432 /nfs/dbraw/zinc/47/34/32/608473432.db2.gz VRMPQLXZDJVFMW-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CO1 ZINC000824813212 608473434 /nfs/dbraw/zinc/47/34/34/608473434.db2.gz VRMPQLXZDJVFMW-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000825494340 608474837 /nfs/dbraw/zinc/47/48/37/608474837.db2.gz WOWSHTYDLMRWQN-UHFFFAOYSA-N -2 3 399.816 0.668 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000825494340 608474838 /nfs/dbraw/zinc/47/48/38/608474838.db2.gz WOWSHTYDLMRWQN-UHFFFAOYSA-N -2 3 399.816 0.668 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(C)COC(C)(C)OC1 ZINC000826279381 608475476 /nfs/dbraw/zinc/47/54/76/608475476.db2.gz OMBBTVAUMFGCKP-UHFFFAOYSA-N -2 3 395.441 0.769 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C)COC(C)(C)OC1 ZINC000826279381 608475477 /nfs/dbraw/zinc/47/54/77/608475477.db2.gz OMBBTVAUMFGCKP-UHFFFAOYSA-N -2 3 395.441 0.769 20 0 GCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000825658717 608476455 /nfs/dbraw/zinc/47/64/55/608476455.db2.gz JFRAJAIUXXTBGR-UHFFFAOYSA-N -2 3 376.398 0.723 20 0 GCADHL CCOc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000825658717 608476456 /nfs/dbraw/zinc/47/64/56/608476456.db2.gz JFRAJAIUXXTBGR-UHFFFAOYSA-N -2 3 376.398 0.723 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C(=O)[O-] ZINC000826366656 608782257 /nfs/dbraw/zinc/78/22/57/608782257.db2.gz SFPKIFALLQJTLM-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C(=O)[O-] ZINC000826366656 608782260 /nfs/dbraw/zinc/78/22/60/608782260.db2.gz SFPKIFALLQJTLM-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc2)c1=O ZINC000826365522 608894261 /nfs/dbraw/zinc/89/42/61/608894261.db2.gz RIHOOTRIQPUXCL-UHFFFAOYSA-N -2 3 398.408 0.552 20 0 GCADHL Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2)c1=O ZINC000826365522 608894263 /nfs/dbraw/zinc/89/42/63/608894263.db2.gz RIHOOTRIQPUXCL-UHFFFAOYSA-N -2 3 398.408 0.552 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C(C)C)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260553 609143276 /nfs/dbraw/zinc/14/32/76/609143276.db2.gz UETVEBJKVFGNMP-UHFFFAOYSA-N -2 3 375.414 0.829 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)C(C)C)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260553 609143278 /nfs/dbraw/zinc/14/32/78/609143278.db2.gz UETVEBJKVFGNMP-UHFFFAOYSA-N -2 3 375.414 0.829 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260416 609147631 /nfs/dbraw/zinc/14/76/31/609147631.db2.gz NGEBHPYVMDSRIC-UHFFFAOYSA-N -2 3 387.425 0.830 20 0 GCADHL Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260416 609147634 /nfs/dbraw/zinc/14/76/34/609147634.db2.gz NGEBHPYVMDSRIC-UHFFFAOYSA-N -2 3 387.425 0.830 20 0 GCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456368 609221964 /nfs/dbraw/zinc/22/19/64/609221964.db2.gz AAWWWRFPUFVDNA-ZDUSSCGKSA-N -2 3 379.336 0.882 20 0 GCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456368 609221965 /nfs/dbraw/zinc/22/19/65/609221965.db2.gz AAWWWRFPUFVDNA-ZDUSSCGKSA-N -2 3 379.336 0.882 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccnc1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450664 609255183 /nfs/dbraw/zinc/25/51/83/609255183.db2.gz XWDJGEOEEQVKFI-OAHLLOKOSA-N -2 3 399.436 0.736 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826149975 609257209 /nfs/dbraw/zinc/25/72/09/609257209.db2.gz TZONOFQVAFDWIZ-BXUZGUMPSA-N -2 3 394.457 0.316 20 0 GCADHL O=C([N-]S(=O)(=O)CCCF)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449863 609257675 /nfs/dbraw/zinc/25/76/75/609257675.db2.gz MMYDAQUCXNETLS-ZDUSSCGKSA-N -2 3 382.421 0.641 20 0 GCADHL O=C([N-]S(=O)(=O)[C@H]1CCOC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449851 609257791 /nfs/dbraw/zinc/25/77/91/609257791.db2.gz MGACYFXWIQSAEP-UONOGXRCSA-N -2 3 392.441 0.070 20 0 GCADHL O=C([N-]S(=O)(=O)CCCF)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449862 609257941 /nfs/dbraw/zinc/25/79/41/609257941.db2.gz MMYDAQUCXNETLS-CYBMUJFWSA-N -2 3 382.421 0.641 20 0 GCADHL CCn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OCCOC)c1 ZINC000825804963 609468514 /nfs/dbraw/zinc/46/85/14/609468514.db2.gz MDIJLXFOUMIFHA-UHFFFAOYSA-N -2 3 393.429 0.909 20 0 GCADHL C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000083972507 638469079 /nfs/dbraw/zinc/46/90/79/638469079.db2.gz KKPHNEDKBUIGFN-YFKPBYRVSA-N -2 3 390.233 0.452 20 0 GCADHL CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c1 ZINC000029048588 638728551 /nfs/dbraw/zinc/72/85/51/638728551.db2.gz YISGNTZCBYEKKU-UHFFFAOYSA-N -2 3 375.472 0.437 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(O)C(=O)[O-])cc1 ZINC000263506874 639168826 /nfs/dbraw/zinc/16/88/26/639168826.db2.gz WAYJDZMQWDWLPZ-AWEZNQCLSA-N -2 3 394.471 0.342 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCc1nc(C)c(C(=O)[O-])s1 ZINC000912558469 639545487 /nfs/dbraw/zinc/54/54/87/639545487.db2.gz NLIPGZCDMBUXPY-UHFFFAOYSA-N -2 3 388.427 0.489 20 0 GCADHL CC(C)c1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000057124939 639593701 /nfs/dbraw/zinc/59/37/01/639593701.db2.gz UKPXGQOVENWPTO-LBPRGKRZSA-N -2 3 375.472 0.490 20 0 GCADHL CS(=O)(=O)CCn1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])n1 ZINC000751214943 640378134 /nfs/dbraw/zinc/37/81/34/640378134.db2.gz USYCZPKFHMPOLS-UHFFFAOYSA-N -3 3 389.411 0.132 20 0 GCADHL Cn1nccc1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000772758779 640849376 /nfs/dbraw/zinc/84/93/76/640849376.db2.gz CWWAWOOOAKYQPV-UHFFFAOYSA-N -2 3 376.391 0.049 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)ccc1F ZINC000774968062 640901592 /nfs/dbraw/zinc/90/15/92/640901592.db2.gz SFFYBOVWEGCUPS-UHFFFAOYSA-N -2 3 386.323 0.959 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000776504424 641098616 /nfs/dbraw/zinc/09/86/16/641098616.db2.gz UKCVHRDENQYLDX-XCBNKYQSSA-N -2 3 378.790 0.290 20 0 GCADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000777444979 641132012 /nfs/dbraw/zinc/13/20/12/641132012.db2.gz CVVQKDCWLJQCTQ-UHFFFAOYSA-N -2 3 378.482 0.911 20 0 GCADHL O=C([O-])[C@H]1COCCN1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000780695103 641214713 /nfs/dbraw/zinc/21/47/13/641214713.db2.gz MVXQQMDSZSWUCI-MRVPVSSYSA-N -2 3 397.862 0.175 20 0 GCADHL CC(C)[C@@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000863956447 641254011 /nfs/dbraw/zinc/25/40/11/641254011.db2.gz OZYHCCAEDIMWFF-LLVKDONJSA-N -3 3 396.418 0.359 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C(=O)[O-])C2CC2)cc1F ZINC000863956950 641254460 /nfs/dbraw/zinc/25/44/60/641254460.db2.gz VTHBCKRXSVIXBW-NSHDSACASA-N -3 3 394.402 0.113 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H]2CCOC2)cc1F ZINC000784895025 641296650 /nfs/dbraw/zinc/29/66/50/641296650.db2.gz APYWCJSCYXTSLU-SNVBAGLBSA-N -2 3 394.446 0.819 20 0 GCADHL CC[C@@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896770 641297041 /nfs/dbraw/zinc/29/70/41/641297041.db2.gz NPMUUHZVWMPNRM-SECBINFHSA-N -2 3 382.435 0.817 20 0 GCADHL COC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000788557136 641372427 /nfs/dbraw/zinc/37/24/27/641372427.db2.gz PTPBWCCVZFHJIN-UHFFFAOYSA-N -2 3 382.427 0.584 20 0 GCADHL COC(=O)c1c(C)[n-]nc1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000788557136 641372432 /nfs/dbraw/zinc/37/24/32/641372432.db2.gz PTPBWCCVZFHJIN-UHFFFAOYSA-N -2 3 382.427 0.584 20 0 GCADHL CCOC1CC(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000805899470 641397107 /nfs/dbraw/zinc/39/71/07/641397107.db2.gz WWOORNNAYBGBKE-UHFFFAOYSA-N -2 3 394.446 0.817 20 0 GCADHL COC1(CC(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC1 ZINC000791843284 641439197 /nfs/dbraw/zinc/43/91/97/641439197.db2.gz LXBCVSHXBAGYDW-UHFFFAOYSA-N -2 3 394.446 0.961 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000794758766 641496694 /nfs/dbraw/zinc/49/66/94/641496694.db2.gz CRZHUWONPNJFKZ-SECBINFHSA-N -3 3 377.346 0.456 20 0 GCADHL CS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@@H]2CCCOC2)cc(C(=O)[O-])c1 ZINC000795333615 641514794 /nfs/dbraw/zinc/51/47/94/641514794.db2.gz OGYFXWHNDWJJPY-SNVBAGLBSA-N -2 3 377.440 0.957 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2cncs2)cc1F ZINC000796976046 641553681 /nfs/dbraw/zinc/55/36/81/641553681.db2.gz JRHICJPEUWMTLX-UHFFFAOYSA-N -2 3 379.416 0.772 20 0 GCADHL O=C([N-]CCOCCOC(=O)c1sccc1-c1nnn[n-]1)C(F)(F)F ZINC000826463501 642058413 /nfs/dbraw/zinc/05/84/13/642058413.db2.gz IMNVIHMMOUMBLP-UHFFFAOYSA-N -2 3 379.320 0.780 20 0 GCADHL O=C([N-]CCOCCOC(=O)c1sccc1-c1nn[n-]n1)C(F)(F)F ZINC000826463501 642058418 /nfs/dbraw/zinc/05/84/18/642058418.db2.gz IMNVIHMMOUMBLP-UHFFFAOYSA-N -2 3 379.320 0.780 20 0 GCADHL COC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOC1 ZINC000831093913 642155928 /nfs/dbraw/zinc/15/59/28/642155928.db2.gz LWIXADUIJOHLAE-LLVKDONJSA-N -2 3 398.187 0.351 20 0 GCADHL COC(=O)NCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840895685 642287699 /nfs/dbraw/zinc/28/76/99/642287699.db2.gz RTEIRRNWHVSDSE-UHFFFAOYSA-N -2 3 387.233 0.843 20 0 GCADHL O=C([O-])CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000844789421 642409350 /nfs/dbraw/zinc/40/93/50/642409350.db2.gz PVRMGJUKSZQOTG-JTQLQIEISA-N -2 3 395.840 0.718 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCS(=O)(=O)CC2)c(F)cc1F ZINC000844894728 642418237 /nfs/dbraw/zinc/41/82/37/642418237.db2.gz XAAYFEBMVGXIIJ-UHFFFAOYSA-N -2 3 383.394 0.766 20 0 GCADHL CS(=O)(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000844895291 642418835 /nfs/dbraw/zinc/41/88/35/642418835.db2.gz VFGQZMAINLGXMH-MRVPVSSYSA-N -2 3 398.409 0.365 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000848678690 642549887 /nfs/dbraw/zinc/54/98/87/642549887.db2.gz HCPWNZFXEKTQGG-SECBINFHSA-N -2 3 377.346 0.215 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1 ZINC000848677925 642549966 /nfs/dbraw/zinc/54/99/66/642549966.db2.gz NMWBPULUZPQZEV-OAHLLOKOSA-N -2 3 377.390 0.672 20 0 GCADHL CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000854611921 642841865 /nfs/dbraw/zinc/84/18/65/642841865.db2.gz CPPRWNJPYYRZHT-UHFFFAOYSA-N -2 3 389.821 0.803 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)c[n-]1 ZINC000585730220 1192398534 /nfs/dbraw/zinc/39/85/34/1192398534.db2.gz FAUZFNFMXHMJBW-UHFFFAOYSA-N -2 3 396.381 0.727 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)c[n-]1 ZINC000585730868 1192401045 /nfs/dbraw/zinc/40/10/45/1192401045.db2.gz KDJUBSWBUKKPKT-UHFFFAOYSA-N -2 3 378.366 0.613 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c[n-]1 ZINC000585730910 1192401085 /nfs/dbraw/zinc/40/10/85/1192401085.db2.gz PGGWEBSVIDYJRE-UHFFFAOYSA-N -2 3 383.382 0.939 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccn1 ZINC000028195641 1192891148 /nfs/dbraw/zinc/89/11/48/1192891148.db2.gz LZWHGQKANMQIOA-UHFFFAOYSA-N -2 3 396.450 0.146 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548530560 1186302481 /nfs/dbraw/zinc/30/24/81/1186302481.db2.gz PCBJECMEGQCJRH-NSHDSACASA-N -2 3 385.373 0.549 20 0 GCADHL O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000068216158 1186317979 /nfs/dbraw/zinc/31/79/79/1186317979.db2.gz FHWQBCOZPLEUPM-UHFFFAOYSA-N -2 3 389.389 0.093 20 0 GCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000278179159 1186816482 /nfs/dbraw/zinc/81/64/82/1186816482.db2.gz QQMHCHKTOLBJAM-NSHDSACASA-N -2 3 391.373 0.687 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)N1CCc2nc[n-]c(=O)c2C1 ZINC000685794993 1187556916 /nfs/dbraw/zinc/55/69/16/1187556916.db2.gz UTQIYDKGRVRGDN-UHFFFAOYSA-N -2 3 384.364 0.324 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)[O-] ZINC000659247183 1187919542 /nfs/dbraw/zinc/91/95/42/1187919542.db2.gz NOLAYANELDYCKM-GIVNFFOOSA-N -2 3 385.442 0.574 20 0 GCADHL Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cncc([N-]S(C)(=O)=O)c1 ZINC000503342717 1194644587 /nfs/dbraw/zinc/64/45/87/1194644587.db2.gz LWMGJKVFEPVIRP-UHFFFAOYSA-N -2 3 390.425 0.748 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000422665112 1194684622 /nfs/dbraw/zinc/68/46/22/1194684622.db2.gz VEEKURTUNDQWSR-GFCCVEGCSA-N -2 3 399.425 0.471 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000422665113 1194684679 /nfs/dbraw/zinc/68/46/79/1194684679.db2.gz VEEKURTUNDQWSR-LBPRGKRZSA-N -2 3 399.425 0.471 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425293135 1194895964 /nfs/dbraw/zinc/89/59/64/1194895964.db2.gz BFQXCYXAVZJCJL-SNVBAGLBSA-N -2 3 385.402 0.065 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1 ZINC000515287353 1194964911 /nfs/dbraw/zinc/96/49/11/1194964911.db2.gz JHKFZOYLQHTZRY-TZMCWYRMSA-N -2 3 399.446 0.870 20 0 GCADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000436667114 1195023608 /nfs/dbraw/zinc/02/36/08/1195023608.db2.gz SUYXVKPRQRRGAE-UHFFFAOYSA-N -2 3 375.366 0.955 20 0 GCADHL O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436777041 1195035238 /nfs/dbraw/zinc/03/52/38/1195035238.db2.gz XIYNNJUTFSYIIN-UHFFFAOYSA-N -2 3 395.375 0.740 20 0 GCADHL CCc1cc(=O)[n-]c(CN2CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC2)n1 ZINC000439286227 1195304490 /nfs/dbraw/zinc/30/44/90/1195304490.db2.gz RBDIGYONRXCKDW-UHFFFAOYSA-N -2 3 397.423 0.695 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000614758882 1196461664 /nfs/dbraw/zinc/46/16/64/1196461664.db2.gz SZCZILNBQIWZRO-GXSJLCMTSA-N -2 3 398.445 0.536 20 0 GCADHL Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000524577821 1196607471 /nfs/dbraw/zinc/60/74/71/1196607471.db2.gz XJAIRLSNXUZKJV-UHFFFAOYSA-N -2 3 381.400 0.589 20 0 GCADHL CN(C)c1nc(C(=O)NCCN2c3ccccc3[N-]S2(=O)=O)cc(=O)[n-]1 ZINC000450766273 1196952900 /nfs/dbraw/zinc/95/29/00/1196952900.db2.gz YFYYWVJTABMDTG-UHFFFAOYSA-N -2 3 378.414 0.155 20 0 GCADHL Cc1cc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265826800 1199500170 /nfs/dbraw/zinc/50/01/70/1199500170.db2.gz PKZFWBMCGMUUNI-RYUDHWBXSA-N -2 3 375.429 0.974 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nc3nc(C)cc(=O)n3[n-]2)c(F)cc1F ZINC000733742702 1201605645 /nfs/dbraw/zinc/60/56/45/1201605645.db2.gz CGJYGYDYVXPJHY-UHFFFAOYSA-N -2 3 399.335 0.592 20 0 GCADHL Cc1cc(C)nc(-n2[n-]c(C(=O)NCCNC(=O)c3ccc([O-])cc3)cc2=O)n1 ZINC000741741993 1201784346 /nfs/dbraw/zinc/78/43/46/1201784346.db2.gz PTKOJMJPTMRAKR-UHFFFAOYSA-N -2 3 396.407 0.438 20 0 GCADHL CCOC(=O)c1nc(C2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)n[n-]1 ZINC000766351254 1201919037 /nfs/dbraw/zinc/91/90/37/1201919037.db2.gz MHWJTKNLELZTMF-UHFFFAOYSA-N -2 3 397.413 0.576 20 0 GCADHL CCOC(=O)c1nnc(C2CCN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)CC2)[n-]1 ZINC000766351254 1201919039 /nfs/dbraw/zinc/91/90/39/1201919039.db2.gz MHWJTKNLELZTMF-UHFFFAOYSA-N -2 3 397.413 0.576 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OC[C@H]2CCOC2)CCCC1 ZINC000788570787 1205425817 /nfs/dbraw/zinc/42/58/17/1205425817.db2.gz OCXMLJLJWLRPBC-ZDUSSCGKSA-N -2 3 387.458 0.967 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2C)c1 ZINC000788692575 1205428093 /nfs/dbraw/zinc/42/80/93/1205428093.db2.gz FCWMJQYLAOTQTR-CYBMUJFWSA-N -2 3 385.373 0.758 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])c(F)c1 ZINC000809224254 1205619743 /nfs/dbraw/zinc/61/97/43/1205619743.db2.gz PKZXMVBUBUTMEC-GFCCVEGCSA-N -2 3 399.400 0.568 20 0 GCADHL CCOCCO[N-]C(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000773617556 1205763815 /nfs/dbraw/zinc/76/38/15/1205763815.db2.gz GHIXPOJBOAOHNP-UHFFFAOYSA-N -2 3 389.430 0.480 20 0 GCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](Cc2nnn[n-]2)C1 ZINC001177866928 1205777329 /nfs/dbraw/zinc/77/73/29/1205777329.db2.gz SZSASQWWFIYJDK-CYBMUJFWSA-N -2 3 394.439 0.677 20 0 GCADHL COC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nnn[n-]1 ZINC001177829451 1205777634 /nfs/dbraw/zinc/77/76/34/1205777634.db2.gz YMCWTKJWBAOZBJ-LLVKDONJSA-N -2 3 393.201 0.921 20 0 GCADHL CC(=O)c1cccc([O-])c1NC(=O)c1cc2n(n1)CCCN(CC(=O)[O-])C2=O ZINC001178370375 1205785538 /nfs/dbraw/zinc/78/55/38/1205785538.db2.gz GAZVMLVBJQRBHY-UHFFFAOYSA-N -2 3 386.364 0.974 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@H]2OC[C@H](C(=O)NCCCCP(=O)([O-])[O-])[C@H]2C1 ZINC001179372549 1205809237 /nfs/dbraw/zinc/80/92/37/1205809237.db2.gz NWNIALBPDFXZTP-FRRDWIJNSA-N -2 3 392.389 0.942 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)NCCCCP(=O)([O-])[O-] ZINC001181440218 1205844850 /nfs/dbraw/zinc/84/48/50/1205844850.db2.gz RSMRBBQYPAHFIW-NSHDSACASA-N -2 3 395.393 0.609 20 0 GCADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001182972053 1205883456 /nfs/dbraw/zinc/88/34/56/1205883456.db2.gz PTCWZTRMEICCBM-UHFFFAOYSA-N -2 3 375.362 0.193 20 0 GCADHL CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001183311071 1205890990 /nfs/dbraw/zinc/89/09/90/1205890990.db2.gz YFDAWUDOOJRCRI-LLVKDONJSA-N -2 3 378.362 0.887 20 0 GCADHL CCOC(=O)c1sc(S(=O)(=O)[N-]CCCCP(=O)([O-])[O-])nc1C ZINC001184974544 1205914950 /nfs/dbraw/zinc/91/49/50/1205914950.db2.gz BICMDJPXCYFXAC-UHFFFAOYSA-N -3 3 386.388 0.864 20 0 GCADHL CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566901 1205924274 /nfs/dbraw/zinc/92/42/74/1205924274.db2.gz SCDXYADAHMLCFH-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566901 1205924275 /nfs/dbraw/zinc/92/42/75/1205924275.db2.gz SCDXYADAHMLCFH-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL COC(=O)c1ccc(OC)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185573644 1205924305 /nfs/dbraw/zinc/92/43/05/1205924305.db2.gz OJJUBBXWRCTOSP-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)c1ccc(OC)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573644 1205924306 /nfs/dbraw/zinc/92/43/06/1205924306.db2.gz OJJUBBXWRCTOSP-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL O=S(=O)([N-]c1cnc(OC2COC2)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566508 1205924360 /nfs/dbraw/zinc/92/43/60/1205924360.db2.gz OHULKIYDFVYBHW-UHFFFAOYSA-N -2 3 375.370 0.235 20 0 GCADHL O=S(=O)([N-]c1cnc(OC2COC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566508 1205924362 /nfs/dbraw/zinc/92/43/62/1205924362.db2.gz OHULKIYDFVYBHW-UHFFFAOYSA-N -2 3 375.370 0.235 20 0 GCADHL O=S(=O)([N-]c1nc(O)nc2[nH]c([O-])nc21)c1c(Cl)nc2sccn21 ZINC001187159687 1205955534 /nfs/dbraw/zinc/95/55/34/1205955534.db2.gz CWSGHTWCLYXMCG-UHFFFAOYSA-N -2 3 387.790 0.928 20 0 GCADHL CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001187312820 1205960798 /nfs/dbraw/zinc/96/07/98/1205960798.db2.gz BWBJIWBWWAKZHJ-LBPRGKRZSA-N -2 3 379.394 0.612 20 0 GCADHL CCO[C@@H]1C[C@](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)(C(=O)[O-])C1(C)C ZINC000262695655 939065993 /nfs/dbraw/zinc/06/59/93/939065993.db2.gz DMYHBHQEIFKECF-BZNIZROVSA-N -2 3 388.442 0.884 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000738139225 945250134 /nfs/dbraw/zinc/25/01/34/945250134.db2.gz MUYWWWCSPXLOSC-UHFFFAOYSA-N -2 3 398.404 0.271 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000738139225 945250138 /nfs/dbraw/zinc/25/01/38/945250138.db2.gz MUYWWWCSPXLOSC-UHFFFAOYSA-N -2 3 398.404 0.271 20 0 GCADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@]1(C(=O)[O-])CCOC1 ZINC001600858177 970872548 /nfs/dbraw/zinc/87/25/48/970872548.db2.gz QUNQPDJYZXGKTO-IBGZPJMESA-N -2 3 399.359 0.966 20 0 GCADHL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822492026 946102315 /nfs/dbraw/zinc/10/23/15/946102315.db2.gz OPNUTLGFBAPCOE-UHFFFAOYSA-N -2 3 391.413 0.101 20 0 GCADHL Cc1nn(C)c(C)c1OCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822492026 946102322 /nfs/dbraw/zinc/10/23/22/946102322.db2.gz OPNUTLGFBAPCOE-UHFFFAOYSA-N -2 3 391.413 0.101 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nnn[n-]3)C2)c1[O-] ZINC001571293835 946118087 /nfs/dbraw/zinc/11/80/87/946118087.db2.gz SWHHEFRDQCYOQM-KYZUINATSA-N -2 3 389.445 0.989 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@H]2C[C@H](Nc3snc(C)c3-c3nn[n-]n3)C2)c1[O-] ZINC001571293835 946118098 /nfs/dbraw/zinc/11/80/98/946118098.db2.gz SWHHEFRDQCYOQM-KYZUINATSA-N -2 3 389.445 0.989 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823995053 946537652 /nfs/dbraw/zinc/53/76/52/946537652.db2.gz YNAKXRCALRWEJO-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823995053 946537666 /nfs/dbraw/zinc/53/76/66/946537666.db2.gz YNAKXRCALRWEJO-AWEZNQCLSA-N -2 3 394.457 0.364 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000824280454 946643540 /nfs/dbraw/zinc/64/35/40/946643540.db2.gz OIDBYELSMYXFGQ-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000824280454 946643550 /nfs/dbraw/zinc/64/35/50/946643550.db2.gz OIDBYELSMYXFGQ-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000824730593 946917638 /nfs/dbraw/zinc/91/76/38/946917638.db2.gz PFFSKTUHRMQUCX-LLVKDONJSA-N -2 3 375.385 0.774 20 0 GCADHL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)c3c[nH]c(-c4nnn[n-]4)c3)cn2)c1 ZINC000826308458 947884645 /nfs/dbraw/zinc/88/46/45/947884645.db2.gz ADRONSQUBFHIDG-UHFFFAOYSA-N -2 3 399.396 0.203 20 0 GCADHL Cc1ccnc(-n2cc(S(=O)(=O)[N-]C(=O)c3c[nH]c(-c4nn[n-]n4)c3)cn2)c1 ZINC000826308458 947884650 /nfs/dbraw/zinc/88/46/50/947884650.db2.gz ADRONSQUBFHIDG-UHFFFAOYSA-N -2 3 399.396 0.203 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000826358408 948112890 /nfs/dbraw/zinc/11/28/90/948112890.db2.gz SFIVAKQEDNKMIA-UHFFFAOYSA-N -2 3 376.295 0.057 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)OCCOCC[N-]C(=O)C(F)(F)F ZINC000826358408 948112894 /nfs/dbraw/zinc/11/28/94/948112894.db2.gz SFIVAKQEDNKMIA-UHFFFAOYSA-N -2 3 376.295 0.057 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccn(C(F)F)n1 ZINC000826450108 948315572 /nfs/dbraw/zinc/31/55/72/948315572.db2.gz XHXMGSXJFHRTMQ-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccn(C(F)F)n1 ZINC000826450108 948315576 /nfs/dbraw/zinc/31/55/76/948315576.db2.gz XHXMGSXJFHRTMQ-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884236 949840053 /nfs/dbraw/zinc/84/00/53/949840053.db2.gz HRIQQFGQWDRJJZ-MWLCHTKSSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884236 949840071 /nfs/dbraw/zinc/84/00/71/949840071.db2.gz HRIQQFGQWDRJJZ-MWLCHTKSSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900313 950195393 /nfs/dbraw/zinc/19/53/93/950195393.db2.gz DNUUIADYANEYLR-VHSXEESVSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527928 950913236 /nfs/dbraw/zinc/91/32/36/950913236.db2.gz IQAFLSBJGWCDJC-NXEZZACHSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527928 950913248 /nfs/dbraw/zinc/91/32/48/950913248.db2.gz IQAFLSBJGWCDJC-NXEZZACHSA-N -2 3 384.400 0.622 20 0 GCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)CC2)n[n-]1 ZINC001591279551 951121576 /nfs/dbraw/zinc/12/15/76/951121576.db2.gz QEAOMPZLMODDOO-QWHCGFSZSA-N -2 3 394.428 0.957 20 0 GCADHL CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CO[C@H](CCC(=O)[O-])C3)CC2)[n-]1 ZINC001591279551 951121584 /nfs/dbraw/zinc/12/15/84/951121584.db2.gz QEAOMPZLMODDOO-QWHCGFSZSA-N -2 3 394.428 0.957 20 0 GCADHL CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571115210 952464426 /nfs/dbraw/zinc/46/44/26/952464426.db2.gz RYOCWUQZQYXOPL-GHMZBOCLSA-N -2 3 375.357 0.227 20 0 GCADHL O=C(Cc1ccc(Br)cc1-c1nnn[n-]1)NCc1nc(=O)o[n-]1 ZINC001571153298 952684885 /nfs/dbraw/zinc/68/48/85/952684885.db2.gz NQJCSWOZGMBCDG-UHFFFAOYSA-N -2 3 380.162 0.164 20 0 GCADHL O=C(Cc1ccc(Br)cc1-c1nn[n-]n1)NCc1nc(=O)o[n-]1 ZINC001571153298 952684888 /nfs/dbraw/zinc/68/48/88/952684888.db2.gz NQJCSWOZGMBCDG-UHFFFAOYSA-N -2 3 380.162 0.164 20 0 GCADHL CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571171318 952792794 /nfs/dbraw/zinc/79/27/94/952792794.db2.gz QWAUGRQEWDIPJA-GFCCVEGCSA-N -2 3 381.400 0.402 20 0 GCADHL CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571171318 952792799 /nfs/dbraw/zinc/79/27/99/952792799.db2.gz QWAUGRQEWDIPJA-GFCCVEGCSA-N -2 3 381.400 0.402 20 0 GCADHL CC1(C)CN(c2ccc(-c3nnn[n-]3)nn2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001571171321 952793100 /nfs/dbraw/zinc/79/31/00/952793100.db2.gz QWAUGRQEWDIPJA-LBPRGKRZSA-N -2 3 381.400 0.402 20 0 GCADHL CC1(C)CN(c2ccc(-c3nn[n-]n3)nn2)C[C@@H]1NC(=O)c1ncccc1[O-] ZINC001571171321 952793103 /nfs/dbraw/zinc/79/31/03/952793103.db2.gz QWAUGRQEWDIPJA-LBPRGKRZSA-N -2 3 381.400 0.402 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178647 952844521 /nfs/dbraw/zinc/84/45/21/952844521.db2.gz PTHJJCRQDXZUAL-LLVKDONJSA-N -2 3 381.400 0.722 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178647 952844529 /nfs/dbraw/zinc/84/45/29/952844529.db2.gz PTHJJCRQDXZUAL-LLVKDONJSA-N -2 3 381.400 0.722 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194850 952969436 /nfs/dbraw/zinc/96/94/36/952969436.db2.gz SXNQTQDPRVLHGD-UWVGGRQHSA-N -2 3 382.384 0.328 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001571239114 953236298 /nfs/dbraw/zinc/23/62/98/953236298.db2.gz QVAMGTKEVIZGSQ-NXEZZACHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001571239114 953236300 /nfs/dbraw/zinc/23/63/00/953236300.db2.gz QVAMGTKEVIZGSQ-NXEZZACHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1[O-] ZINC001571239768 953243158 /nfs/dbraw/zinc/24/31/58/953243158.db2.gz XKZLWQCXULKNFL-VHSXEESVSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1[O-] ZINC001571239768 953243159 /nfs/dbraw/zinc/24/31/59/953243159.db2.gz XKZLWQCXULKNFL-VHSXEESVSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@@H]2C)c1[O-] ZINC001571239764 953243169 /nfs/dbraw/zinc/24/31/69/953243169.db2.gz XKZLWQCXULKNFL-NXEZZACHSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@@H]2C)c1[O-] ZINC001571239764 953243170 /nfs/dbraw/zinc/24/31/70/953243170.db2.gz XKZLWQCXULKNFL-NXEZZACHSA-N -2 3 384.404 0.181 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H]1CN(C2CC2)C(=O)O1 ZINC001594895801 954564153 /nfs/dbraw/zinc/56/41/53/954564153.db2.gz JGSKRFIBNBGVGE-VWYCJHECSA-N -2 3 379.335 0.566 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@H]1CN(C2CC2)C(=O)O1 ZINC001594895798 954565313 /nfs/dbraw/zinc/56/53/13/954565313.db2.gz JGSKRFIBNBGVGE-AXFHLTTASA-N -2 3 379.335 0.566 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)c1cc(=O)[n-]c(C3CC3)n1)C[C@@H]2C(=O)[O-] ZINC001593824021 955070864 /nfs/dbraw/zinc/07/08/64/955070864.db2.gz OVXNUYYVGVPEIE-ARAINJGVSA-N -2 3 375.381 0.786 20 0 GCADHL O=C([O-])C1(CNC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCOCC1 ZINC000831057390 955546599 /nfs/dbraw/zinc/54/65/99/955546599.db2.gz HXYWXJYRVARCEF-NSHDSACASA-N -2 3 395.378 0.968 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)oc1Cl ZINC001593875256 955659887 /nfs/dbraw/zinc/65/98/87/955659887.db2.gz DIXAGBWGQSNSMN-UHFFFAOYSA-N -2 3 380.806 0.547 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000846770087 955728268 /nfs/dbraw/zinc/72/82/68/955728268.db2.gz RWECBFWHINNREE-ZDUSSCGKSA-N -2 3 385.373 0.758 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000389254757 972215262 /nfs/dbraw/zinc/21/52/62/972215262.db2.gz DROMFCOBNUVDJS-ZDUSSCGKSA-N -2 3 380.426 0.287 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)C1 ZINC001594736852 957078498 /nfs/dbraw/zinc/07/84/98/957078498.db2.gz AXNUUFRFLYCLSQ-ZDUSSCGKSA-N -2 3 389.408 0.046 20 0 GCADHL Cn1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)nn1 ZINC000389831442 972250546 /nfs/dbraw/zinc/25/05/46/972250546.db2.gz AFQTUUCOFNMINF-UHFFFAOYSA-N -2 3 375.204 0.754 20 0 GCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC001594445147 959322851 /nfs/dbraw/zinc/32/28/51/959322851.db2.gz OGFOYVZEGMIQCD-UHFFFAOYSA-N -2 3 382.380 0.993 20 0 GCADHL Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC001594489702 959684913 /nfs/dbraw/zinc/68/49/13/959684913.db2.gz LMRSQJHNCVNVNE-UHFFFAOYSA-N -2 3 377.220 0.943 20 0 GCADHL CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000228925364 960046911 /nfs/dbraw/zinc/04/69/11/960046911.db2.gz FTLQGQIWIIJFFL-ZCFIWIBFSA-N -2 3 383.220 0.932 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2CCCOCC2)c(Br)o1 ZINC001320665932 960983861 /nfs/dbraw/zinc/98/38/61/960983861.db2.gz JCOSAIQZICEGFM-UHFFFAOYSA-N -2 3 397.247 0.741 20 0 GCADHL CCOC(=O)c1nc(C2CCN(C(=O)C3(CC(=O)[O-])CCOCC3)CC2)n[n-]1 ZINC001573905253 961446895 /nfs/dbraw/zinc/44/68/95/961446895.db2.gz DYUZAOSTNYXYID-UHFFFAOYSA-N -2 3 394.428 0.959 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001574512478 961811095 /nfs/dbraw/zinc/81/10/95/961811095.db2.gz NNRUSCQYYJCOSN-QWRGUYRKSA-N -3 3 388.298 0.698 20 0 GCADHL O=C([O-])C1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CCS(=O)(=O)CC1 ZINC001574633818 962319460 /nfs/dbraw/zinc/31/94/60/962319460.db2.gz YNOKIUUPGXBAGA-UHFFFAOYSA-N -2 3 383.426 0.346 20 0 GCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2ccc(Br)cc2-c2nnn[n-]2)C1 ZINC001574644567 962376892 /nfs/dbraw/zinc/37/68/92/962376892.db2.gz WGRPBXRLXNXCNC-VIFPVBQESA-N -2 3 381.146 0.797 20 0 GCADHL O=C([O-])C1=NO[C@H](C(=O)Nc2ccc(Br)cc2-c2nn[n-]n2)C1 ZINC001574644567 962376913 /nfs/dbraw/zinc/37/69/13/962376913.db2.gz WGRPBXRLXNXCNC-VIFPVBQESA-N -2 3 381.146 0.797 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C[C@H]2C(=O)[O-] ZINC001604284927 972876268 /nfs/dbraw/zinc/87/62/68/972876268.db2.gz SENSFJSEQDOLJS-HLZQHVJHSA-N -2 3 377.397 0.454 20 0 GCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)c3cc4c(cc3[O-])OCO4)CC2)C1 ZINC001605973815 972988478 /nfs/dbraw/zinc/98/84/78/972988478.db2.gz GCGLLIBWNBNREZ-SNVBAGLBSA-N -2 3 376.365 0.659 20 0 GCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CO1 ZINC001606106946 973294754 /nfs/dbraw/zinc/29/47/54/973294754.db2.gz HJJMZFAMLXMQTK-GOEBONIOSA-N -2 3 376.409 0.947 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c(Br)n1 ZINC001605501691 973672666 /nfs/dbraw/zinc/67/26/66/973672666.db2.gz XQXYPFZABRBHAU-QMMMGPOBSA-N -2 3 378.208 0.020 20 0 GCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)c1F ZINC000405374934 973856625 /nfs/dbraw/zinc/85/66/25/973856625.db2.gz SGCQDKJNHHOPQT-UHFFFAOYSA-N -2 3 378.765 0.605 20 0 GCADHL COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1 ZINC000547875124 974443865 /nfs/dbraw/zinc/44/38/65/974443865.db2.gz XQBDYLDPFXVGEP-SECBINFHSA-N -2 3 395.336 0.647 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccn(C)n2)ccc1F ZINC001591666382 975414783 /nfs/dbraw/zinc/41/47/83/975414783.db2.gz BCSAJHJRVRONSW-CQSZACIVSA-N -2 3 398.416 0.802 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCN(Cc3ccccc3)C2)on1 ZINC000702620583 977097055 /nfs/dbraw/zinc/09/70/55/977097055.db2.gz VCQBRLZZNIONHQ-INIZCTEOSA-N -2 3 381.410 0.288 20 0 GCADHL C[C@@H](CC(=O)N[C@H]1CCO[C@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592260302 977501598 /nfs/dbraw/zinc/50/15/98/977501598.db2.gz ZZIVCVIRDHAXFR-HOTUBEGUSA-N -2 3 391.833 0.150 20 0 GCADHL C[C@H](CS(=O)(=O)[N-][C@@H]1Cc2cc(Br)cnc2NC1=O)C(=O)[O-] ZINC001592806471 979469818 /nfs/dbraw/zinc/46/98/18/979469818.db2.gz HUZLAXYZHLFWEF-HZGVNTEJSA-N -2 3 392.231 0.347 20 0 GCADHL CC[C@@H](CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O)OC ZINC001595203378 979964149 /nfs/dbraw/zinc/96/41/49/979964149.db2.gz QVFQFYYQLRDVTO-ONGXEEELSA-N -2 3 376.456 0.896 20 0 GCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C(=O)OC)c1 ZINC001588660933 983785481 /nfs/dbraw/zinc/78/54/81/983785481.db2.gz CRFZSONYLWTFGT-ZWNOBZJWSA-N -2 3 376.365 0.995 20 0 GCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1CCCOC1 ZINC001596544553 984401076 /nfs/dbraw/zinc/40/10/76/984401076.db2.gz URXQHFKEKKVEFT-WCBMZHEXSA-N -2 3 378.428 0.478 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@H]1CCCOC1 ZINC001596544783 984402341 /nfs/dbraw/zinc/40/23/41/984402341.db2.gz WEDAWIKIBVSPSM-YIOUJQMASA-N -2 3 377.459 0.908 20 0 GCADHL CCOC(=O)C1([C@H](C)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCOCC1 ZINC001596553103 984420840 /nfs/dbraw/zinc/42/08/40/984420840.db2.gz SVCITYHLUOAYBS-JTQLQIEISA-N -2 3 389.430 0.443 20 0 GCADHL C/C(=C\C[N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001588982144 984875116 /nfs/dbraw/zinc/87/51/16/984875116.db2.gz OVRVERLUFOULMP-ZZXKWVIFSA-N -2 3 385.183 0.334 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccn(C)n2)c(F)c1 ZINC001596726280 984981503 /nfs/dbraw/zinc/98/15/03/984981503.db2.gz JTMLHPOXCYGPDS-ZDUSSCGKSA-N -2 3 385.373 0.840 20 0 GCADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2csnc2C(=O)[O-])(C(=O)OC)C1(C)C ZINC001596842225 985529449 /nfs/dbraw/zinc/52/94/49/985529449.db2.gz HQHDIXURCGZPAN-LKFCYVNXSA-N -2 3 392.455 0.866 20 0 GCADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2scnc2C(=O)[O-])(C(=O)OC)C1(C)C ZINC001596842299 985529786 /nfs/dbraw/zinc/52/97/86/985529786.db2.gz JHTUXPOPRSQICX-RTHLEPHNSA-N -2 3 392.455 0.866 20 0 GCADHL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001590274548 989684998 /nfs/dbraw/zinc/68/49/98/989684998.db2.gz JJCJDOXXMBPJKI-SECBINFHSA-N 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380.419 0.729 20 0 GCADHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000538704218 531035689 /nfs/dbraw/zinc/03/56/89/531035689.db2.gz VRZBHEFXXGHTSH-UHFFFAOYSA-N -2 3 380.411 0.315 20 0 GCADHL NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000538704218 531035692 /nfs/dbraw/zinc/03/56/92/531035692.db2.gz VRZBHEFXXGHTSH-UHFFFAOYSA-N -2 3 380.411 0.315 20 0 GCADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)o1 ZINC000533201268 531038159 /nfs/dbraw/zinc/03/81/59/531038159.db2.gz VBKHJPZXLWNZIN-ZETCQYMHSA-N -2 3 378.407 0.928 20 0 GCADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CC1(CS(C)(=O)=O)CC1 ZINC000520805323 531041979 /nfs/dbraw/zinc/04/19/79/531041979.db2.gz XGRHSBABULFYKH-UHFFFAOYSA-N -2 3 395.430 0.636 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)o1 ZINC000540249059 531047621 /nfs/dbraw/zinc/04/76/21/531047621.db2.gz QXCCNFPAYHHYEL-UHFFFAOYSA-N -2 3 391.402 0.951 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630273742 531056019 /nfs/dbraw/zinc/05/60/19/531056019.db2.gz KSIVDYZQQIUFSP-TUAOUCFPSA-N -2 3 390.483 0.801 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000630273735 531056344 /nfs/dbraw/zinc/05/63/44/531056344.db2.gz KSIVDYZQQIUFSP-QJPTWQEYSA-N -2 3 390.483 0.801 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]CCS(=O)(=O)NCC2CCC2)cc1C(=O)[O-] ZINC000514724568 531082458 /nfs/dbraw/zinc/08/24/58/531082458.db2.gz CWLMGXVYISIQAF-UHFFFAOYSA-N -2 3 380.444 0.284 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000547865885 531104413 /nfs/dbraw/zinc/10/44/13/531104413.db2.gz ZAEMUQKHWWAKCK-NSHDSACASA-N -2 3 376.456 0.470 20 0 GCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@H]1CCOC1 ZINC000547557982 531099141 /nfs/dbraw/zinc/09/91/41/531099141.db2.gz CRDOOIVGXYBNIC-KGFZYKRKSA-N -2 3 376.774 0.543 20 0 GCADHL Cc1sc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)cc1[N+](=O)[O-] ZINC000547577718 531099820 /nfs/dbraw/zinc/09/98/20/531099820.db2.gz NGRSFSULAPJVGD-MRVPVSSYSA-N -2 3 377.400 0.176 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2CC2)cc1F ZINC000547578507 531099886 /nfs/dbraw/zinc/09/98/86/531099886.db2.gz QCYGEQHBZVVURP-LBPRGKRZSA-N -2 3 380.419 0.729 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000547585736 531100352 /nfs/dbraw/zinc/10/03/52/531100352.db2.gz BJUHCIXVXYYYQN-RKDXNWHRSA-N -3 3 378.403 0.505 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000547585733 531100501 /nfs/dbraw/zinc/10/05/01/531100501.db2.gz BJUHCIXVXYYYQN-BDAKNGLRSA-N -3 3 378.403 0.505 20 0 GCADHL CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000547589970 531100590 /nfs/dbraw/zinc/10/05/90/531100590.db2.gz YIULABLAVDETBJ-LLVKDONJSA-N -2 3 394.471 0.941 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547608105 531101360 /nfs/dbraw/zinc/10/13/60/531101360.db2.gz LVKKFEDBNFCCFA-AWEZNQCLSA-N -3 3 377.346 0.456 20 0 GCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000547874686 531105148 /nfs/dbraw/zinc/10/51/48/531105148.db2.gz JHQHLGOLIBFDGX-SECBINFHSA-N -3 3 376.774 0.431 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])c1 ZINC000547891906 531105663 /nfs/dbraw/zinc/10/56/63/531105663.db2.gz RQBYRIITMXKKNF-JTQLQIEISA-N -2 3 387.439 0.490 20 0 GCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000547963359 531107782 /nfs/dbraw/zinc/10/77/82/531107782.db2.gz CRHRLKNRBBSYCR-KOLCDFICSA-N -2 3 379.818 0.479 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000547936111 531108107 /nfs/dbraw/zinc/10/81/07/531108107.db2.gz XCJYYSQEPYLOTD-ZDUSSCGKSA-N -3 3 390.805 0.535 20 0 GCADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000548207081 531111062 /nfs/dbraw/zinc/11/10/62/531111062.db2.gz JHQHLGOLIBFDGX-VIFPVBQESA-N -3 3 376.774 0.431 20 0 GCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000548264955 531113561 /nfs/dbraw/zinc/11/35/61/531113561.db2.gz YKKYJJQUBQAUOY-CYBMUJFWSA-N -2 3 376.818 0.736 20 0 GCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])s1 ZINC000548262101 531113765 /nfs/dbraw/zinc/11/37/65/531113765.db2.gz MYJGVWWHFVAOMC-CYBMUJFWSA-N -3 3 379.412 0.308 20 0 GCADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])cc1OC ZINC000548265962 531114433 /nfs/dbraw/zinc/11/44/33/531114433.db2.gz OATGBYVEXVRDOP-CQSZACIVSA-N -3 3 379.362 0.687 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000548533622 531117993 /nfs/dbraw/zinc/11/79/93/531117993.db2.gz LPTCNAIAJKPCRT-SECBINFHSA-N -2 3 385.423 0.547 20 0 GCADHL COCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-] ZINC000548549699 531118468 /nfs/dbraw/zinc/11/84/68/531118468.db2.gz VZPXFEWKNARCMR-VIFPVBQESA-N -2 3 398.231 0.198 20 0 GCADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548541961 531118782 /nfs/dbraw/zinc/11/87/82/531118782.db2.gz FPVCHRXTJADKDY-CYBMUJFWSA-N -3 3 382.435 0.976 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cn2nc(C)cc2C)C(=O)[O-])s1 ZINC000548538502 531118785 /nfs/dbraw/zinc/11/87/85/531118785.db2.gz POITVQYOAJJYNF-JTQLQIEISA-N -2 3 387.439 0.780 20 0 GCADHL COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-] ZINC000548542637 531118798 /nfs/dbraw/zinc/11/87/98/531118798.db2.gz JMIICZKMPGBEPD-SECBINFHSA-N -2 3 396.215 0.614 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H](COC)C(=O)[O-])cc1F ZINC000548566620 531119109 /nfs/dbraw/zinc/11/91/09/531119109.db2.gz XIMMGLOSURYXCO-GFCCVEGCSA-N -2 3 398.434 0.307 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)N1CCCC1 ZINC000548697456 531121745 /nfs/dbraw/zinc/12/17/45/531121745.db2.gz SCOVTPDQOBAYHI-NSHDSACASA-N -2 3 379.479 0.960 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)s1 ZINC000548837084 531123696 /nfs/dbraw/zinc/12/36/96/531123696.db2.gz OCEWCPSYEKXXDV-UHFFFAOYSA-N -2 3 396.512 0.516 20 0 GCADHL C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000433445053 531129355 /nfs/dbraw/zinc/12/93/55/531129355.db2.gz AHYCAXPOLPDXET-ZANVPECISA-N -2 3 382.435 0.015 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000550100633 531130471 /nfs/dbraw/zinc/13/04/71/531130471.db2.gz BUKXUIGINQVUBI-SECBINFHSA-N -2 3 386.455 0.910 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CN(C)CCO1 ZINC000676237355 531136388 /nfs/dbraw/zinc/13/63/88/531136388.db2.gz JGDJYHSKYACNQQ-GWCFXTLKSA-N -2 3 395.478 0.195 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(C(=O)OC)s1 ZINC000554537967 531163404 /nfs/dbraw/zinc/16/34/04/531163404.db2.gz RZIFCNZHILHBRW-UHFFFAOYSA-N -2 3 377.396 0.607 20 0 GCADHL CC(C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)OCCO ZINC000554708098 531164514 /nfs/dbraw/zinc/16/45/14/531164514.db2.gz XZJKKPAILFRGKU-UHFFFAOYSA-N -2 3 384.451 0.263 20 0 GCADHL CO[C@@H](C)c1nc(=NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000555319785 531168643 /nfs/dbraw/zinc/16/86/43/531168643.db2.gz YQNFNRQCPRRJJA-QMMMGPOBSA-N -2 3 388.475 0.016 20 0 GCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1)C(=O)[O-] ZINC000555456136 531169937 /nfs/dbraw/zinc/16/99/37/531169937.db2.gz POCWHPAOASSEFF-SECBINFHSA-N -2 3 390.805 0.376 20 0 GCADHL O=C([O-])[C@H]1CC[C@H](C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)O1 ZINC000682524777 531173559 /nfs/dbraw/zinc/17/35/59/531173559.db2.gz RXNJMWWJJHTIOX-VXGBXAGGSA-N -2 3 388.467 0.650 20 0 GCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000683925215 531182512 /nfs/dbraw/zinc/18/25/12/531182512.db2.gz KCSAVVCWICNGKV-SECBINFHSA-N -3 3 379.412 0.077 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])s1 ZINC000685411323 531190398 /nfs/dbraw/zinc/19/03/98/531190398.db2.gz JNZJWGHQODCNGY-UHFFFAOYSA-N -2 3 384.501 0.371 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1cccs1)N[C@@H](c1nnn[n-]1)c1ccccc1 ZINC000685637346 531191921 /nfs/dbraw/zinc/19/19/21/531191921.db2.gz ILMTUAPCICBFPS-CYBMUJFWSA-N -2 3 378.439 0.445 20 0 GCADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000040699294 531195553 /nfs/dbraw/zinc/19/55/53/531195553.db2.gz LZLKFRRTESQQLH-SECBINFHSA-N -2 3 382.232 0.962 20 0 GCADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000735692807 598855008 /nfs/dbraw/zinc/85/50/08/598855008.db2.gz UPVAPOSIEATAJL-CQSZACIVSA-N -2 3 392.441 0.319 20 0 GCADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000735692807 598855009 /nfs/dbraw/zinc/85/50/09/598855009.db2.gz UPVAPOSIEATAJL-CQSZACIVSA-N -2 3 392.441 0.319 20 0 GCADHL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305776 598855757 /nfs/dbraw/zinc/85/57/57/598855757.db2.gz WDZZIXKMNZKFKN-CYBMUJFWSA-N -2 3 392.441 0.463 20 0 GCADHL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305776 598855758 /nfs/dbraw/zinc/85/57/58/598855758.db2.gz WDZZIXKMNZKFKN-CYBMUJFWSA-N -2 3 392.441 0.463 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000737765767 598891427 /nfs/dbraw/zinc/89/14/27/598891427.db2.gz XEXBGOMEXZLNDJ-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000737765767 598891428 /nfs/dbraw/zinc/89/14/28/598891428.db2.gz XEXBGOMEXZLNDJ-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(S(C)(=O)=O)nc1 ZINC000737301117 598930150 /nfs/dbraw/zinc/93/01/50/598930150.db2.gz HVCNUXKBASNFNT-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL Cc1c([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cccc1-c1nn[n-]n1 ZINC000822128874 607255780 /nfs/dbraw/zinc/25/57/80/607255780.db2.gz FWCNRSFVGSTCQD-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000737299484 598975421 /nfs/dbraw/zinc/97/54/21/598975421.db2.gz QJICCLVLCWUNJW-ZDUSSCGKSA-N -2 3 395.441 0.566 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOC[C@@H]1CCCO1 ZINC000737299484 598975423 /nfs/dbraw/zinc/97/54/23/598975423.db2.gz QJICCLVLCWUNJW-ZDUSSCGKSA-N -2 3 395.441 0.566 20 0 GCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cnn1C ZINC000736669320 598974680 /nfs/dbraw/zinc/97/46/80/598974680.db2.gz DJIVWENGNDCSTO-UHFFFAOYSA-N -2 3 375.414 0.590 20 0 GCADHL CCc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cnn1C ZINC000736669320 598974683 /nfs/dbraw/zinc/97/46/83/598974683.db2.gz DJIVWENGNDCSTO-UHFFFAOYSA-N -2 3 375.414 0.590 20 0 GCADHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737174188 599018744 /nfs/dbraw/zinc/01/87/44/599018744.db2.gz UACMJSAVZQPIOT-XMMPIXPASA-N -2 3 378.439 0.941 20 0 GCADHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737174188 599018746 /nfs/dbraw/zinc/01/87/46/599018746.db2.gz UACMJSAVZQPIOT-XMMPIXPASA-N -2 3 378.439 0.941 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1sccc1-c1nnn[n-]1 ZINC000738139707 599025961 /nfs/dbraw/zinc/02/59/61/599025961.db2.gz NXVFCPSHXILLJK-UHFFFAOYSA-N -2 3 393.406 0.818 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1sccc1-c1nn[n-]n1 ZINC000738139707 599025963 /nfs/dbraw/zinc/02/59/63/599025963.db2.gz NXVFCPSHXILLJK-UHFFFAOYSA-N -2 3 393.406 0.818 20 0 GCADHL O=C(NCc1cc(-c2nnn[n-]2)ccc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000823241686 599167194 /nfs/dbraw/zinc/16/71/94/599167194.db2.gz CAJOEYQEPFZGEP-UHFFFAOYSA-N -2 3 382.315 0.685 20 0 GCADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000823241686 599167197 /nfs/dbraw/zinc/16/71/97/599167197.db2.gz CAJOEYQEPFZGEP-UHFFFAOYSA-N -2 3 382.315 0.685 20 0 GCADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)ccc21 ZINC000819797206 599231787 /nfs/dbraw/zinc/23/17/87/599231787.db2.gz VGDIHLAGMCOYKS-UHFFFAOYSA-N -2 3 385.409 0.972 20 0 GCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821671130 599232703 /nfs/dbraw/zinc/23/27/03/599232703.db2.gz JHWIBIZACKYLCK-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COC(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821671130 599232704 /nfs/dbraw/zinc/23/27/04/599232704.db2.gz JHWIBIZACKYLCK-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000738337900 598296724 /nfs/dbraw/zinc/29/67/24/598296724.db2.gz AMDHHLAIRVRTIQ-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000738337900 598296726 /nfs/dbraw/zinc/29/67/26/598296726.db2.gz AMDHHLAIRVRTIQ-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738139188 598332146 /nfs/dbraw/zinc/33/21/46/598332146.db2.gz MBQAEQLPHCKGMG-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2sccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738139188 598332147 /nfs/dbraw/zinc/33/21/47/598332147.db2.gz MBQAEQLPHCKGMG-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL O=S(=O)([N-]c1cccnc1N1CCOCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342128 598333304 /nfs/dbraw/zinc/33/33/04/598333304.db2.gz LSESPOYHIZTNLV-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737883327 598374739 /nfs/dbraw/zinc/37/47/39/598374739.db2.gz FPVZOPGPFXXILP-UHFFFAOYSA-N -2 3 398.404 0.328 20 0 GCADHL O=C(CN1Cc2ccccc2C1=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737883327 598374741 /nfs/dbraw/zinc/37/47/41/598374741.db2.gz FPVZOPGPFXXILP-UHFFFAOYSA-N -2 3 398.404 0.328 20 0 GCADHL Cc1nn2c(S[C@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)n[n-]c2nc1=O ZINC000737523687 598378812 /nfs/dbraw/zinc/37/88/12/598378812.db2.gz RKFPRCWHFCPTCA-MRVPVSSYSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1nn2c(S[C@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)n[n-]c2nc1=O ZINC000737523687 598378814 /nfs/dbraw/zinc/37/88/14/598378814.db2.gz RKFPRCWHFCPTCA-MRVPVSSYSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1-n1ncc(-c2nnn[n-]2)c1N ZINC000737202035 598381442 /nfs/dbraw/zinc/38/14/42/598381442.db2.gz IPRFSWBXGNVHOC-UHFFFAOYSA-N -2 3 386.401 0.467 20 0 GCADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccccc1-n1ncc(-c2nn[n-]n2)c1N ZINC000737202035 598381444 /nfs/dbraw/zinc/38/14/44/598381444.db2.gz IPRFSWBXGNVHOC-UHFFFAOYSA-N -2 3 386.401 0.467 20 0 GCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736706185 598414534 /nfs/dbraw/zinc/41/45/34/598414534.db2.gz VFWLMDMJNDUMHB-UHFFFAOYSA-N -2 3 393.816 0.991 20 0 GCADHL CCc1ncncc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736706185 598414536 /nfs/dbraw/zinc/41/45/36/598414536.db2.gz VFWLMDMJNDUMHB-UHFFFAOYSA-N -2 3 393.816 0.991 20 0 GCADHL CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736624037 598414558 /nfs/dbraw/zinc/41/45/58/598414558.db2.gz QCJOAFUENMEHBW-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL CCOCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736624037 598414560 /nfs/dbraw/zinc/41/45/60/598414560.db2.gz QCJOAFUENMEHBW-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737509163 598415196 /nfs/dbraw/zinc/41/51/96/598415196.db2.gz LGJJMTZHDPLDIL-UHFFFAOYSA-N -2 3 395.832 0.989 20 0 GCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737509163 598415198 /nfs/dbraw/zinc/41/51/98/598415198.db2.gz LGJJMTZHDPLDIL-UHFFFAOYSA-N -2 3 395.832 0.989 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736931088 598485279 /nfs/dbraw/zinc/48/52/79/598485279.db2.gz OTGBBEGCSXVAAT-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736931088 598485282 /nfs/dbraw/zinc/48/52/82/598485282.db2.gz OTGBBEGCSXVAAT-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC(C)(C)C ZINC000736784113 598485632 /nfs/dbraw/zinc/48/56/32/598485632.db2.gz QTYIFUUKSGVUJQ-UHFFFAOYSA-N -2 3 396.429 0.539 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC(C)(C)C ZINC000736784113 598485633 /nfs/dbraw/zinc/48/56/33/598485633.db2.gz QTYIFUUKSGVUJQ-UHFFFAOYSA-N -2 3 396.429 0.539 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737524433 598536044 /nfs/dbraw/zinc/53/60/44/598536044.db2.gz ZDQURJJAIKXNKJ-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737524433 598536046 /nfs/dbraw/zinc/53/60/46/598536046.db2.gz ZDQURJJAIKXNKJ-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737434897 598536137 /nfs/dbraw/zinc/53/61/37/598536137.db2.gz DTUPSNDHDSRUBM-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737434897 598536139 /nfs/dbraw/zinc/53/61/39/598536139.db2.gz DTUPSNDHDSRUBM-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737012953 598740032 /nfs/dbraw/zinc/74/00/32/598740032.db2.gz BXVNEUVZLADWBB-UHFFFAOYSA-N -2 3 383.430 0.508 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737012953 598740033 /nfs/dbraw/zinc/74/00/33/598740033.db2.gz BXVNEUVZLADWBB-UHFFFAOYSA-N -2 3 383.430 0.508 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737795889 598762575 /nfs/dbraw/zinc/76/25/75/598762575.db2.gz MLBSRODZUNHYMR-SNAWJCMRSA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737795889 598762576 /nfs/dbraw/zinc/76/25/76/598762576.db2.gz MLBSRODZUNHYMR-SNAWJCMRSA-N -2 3 377.426 0.796 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820050497 599619638 /nfs/dbraw/zinc/61/96/38/599619638.db2.gz ATAWNANNQPOOAX-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820050497 599619639 /nfs/dbraw/zinc/61/96/39/599619639.db2.gz ATAWNANNQPOOAX-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL O=C(CCCOc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822958946 599620097 /nfs/dbraw/zinc/62/00/97/599620097.db2.gz ORGJQHNTSJJDRH-UHFFFAOYSA-N -2 3 388.409 0.926 20 0 GCADHL O=C(CCCOc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822958946 599620098 /nfs/dbraw/zinc/62/00/98/599620098.db2.gz ORGJQHNTSJJDRH-UHFFFAOYSA-N -2 3 388.409 0.926 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000821164575 599626087 /nfs/dbraw/zinc/62/60/87/599626087.db2.gz IFASBOVPXKZABR-UHFFFAOYSA-N -2 3 398.445 0.347 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000821164575 599626088 /nfs/dbraw/zinc/62/60/88/599626088.db2.gz IFASBOVPXKZABR-UHFFFAOYSA-N -2 3 398.445 0.347 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)cn1C ZINC000821668186 599689917 /nfs/dbraw/zinc/68/99/17/599689917.db2.gz UHPLARAZRMMIQX-UHFFFAOYSA-N -2 3 392.397 0.801 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccn(CC(=O)[O-])n2)c(F)c1 ZINC000738164283 599739492 /nfs/dbraw/zinc/73/94/92/599739492.db2.gz RRWXRODDOFUYSV-UHFFFAOYSA-N -3 3 392.390 0.279 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000737594410 599796845 /nfs/dbraw/zinc/79/68/45/599796845.db2.gz ZFPDDTAINJMXDR-SNVBAGLBSA-N -2 3 396.780 0.732 20 0 GCADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)cc1 ZINC000595369431 599826239 /nfs/dbraw/zinc/82/62/39/599826239.db2.gz UBVUKIQNIVWKGF-UHFFFAOYSA-N -2 3 380.378 0.882 20 0 GCADHL CC(C)[C@@H](NC(=O)[O-])C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000736367741 599872630 /nfs/dbraw/zinc/87/26/30/599872630.db2.gz LMHCGKUZIXIRHY-GFCCVEGCSA-N -2 3 377.357 0.388 20 0 GCADHL O=C([O-])[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCO1 ZINC000485834838 599941806 /nfs/dbraw/zinc/94/18/06/599941806.db2.gz OJHWLELUZFKZNA-CQSZACIVSA-N -2 3 397.384 0.880 20 0 GCADHL COC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000737569107 600242601 /nfs/dbraw/zinc/24/26/01/600242601.db2.gz XQPLTYIDMMRNGL-NSHDSACASA-N -2 3 388.373 0.013 20 0 GCADHL O=C([O-])[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)c2ccccc21 ZINC000739603721 600279145 /nfs/dbraw/zinc/27/91/45/600279145.db2.gz DZPKEHUODBSJTG-SECBINFHSA-N -2 3 394.181 0.926 20 0 GCADHL C[C@@H](CN1CCN(c2ccccn2)CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736587554 600415228 /nfs/dbraw/zinc/41/52/28/600415228.db2.gz YDNFGHPHSQWDRY-ZDUSSCGKSA-N -2 3 394.453 0.862 20 0 GCADHL NC(=O)c1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000739182260 600434946 /nfs/dbraw/zinc/43/49/46/600434946.db2.gz GQHVMIOZHMDEGW-JTQLQIEISA-N -2 3 379.394 0.634 20 0 GCADHL CC(C)Oc1ccc([N-]S(=O)(=O)CC(=O)Nc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000736495030 600537758 /nfs/dbraw/zinc/53/77/58/600537758.db2.gz TUEXCDVUYHMSQC-UHFFFAOYSA-N -2 3 397.413 0.599 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(F)cc1Br ZINC000740086845 600634095 /nfs/dbraw/zinc/63/40/95/600634095.db2.gz ARLNDDVGVXSEDN-ZETCQYMHSA-N -2 3 398.206 0.980 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(F)cc1Br ZINC000740087042 600634183 /nfs/dbraw/zinc/63/41/83/600634183.db2.gz GFOKBSKLTNPANT-SECBINFHSA-N -2 3 395.206 0.843 20 0 GCADHL COc1cc(CN(CC(=O)[O-])C(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc(OC)c1 ZINC000737881122 600663680 /nfs/dbraw/zinc/66/36/80/600663680.db2.gz MFOLWKCMTRFNGZ-UHFFFAOYSA-N -2 3 378.341 0.214 20 0 GCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cnn(-c2ccccc2F)c1 ZINC000826492465 607462825 /nfs/dbraw/zinc/46/28/25/607462825.db2.gz MJYNNONGGJNFKP-UHFFFAOYSA-N -2 3 375.349 0.715 20 0 GCADHL O=C([O-])c1occc1COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000833352910 600688278 /nfs/dbraw/zinc/68/82/78/600688278.db2.gz DEILCHKOASELJM-UHFFFAOYSA-N -2 3 375.380 0.667 20 0 GCADHL O=C([O-])C[C@@H]1CSCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000739650642 600697675 /nfs/dbraw/zinc/69/76/75/600697675.db2.gz HYXIBLXDCINGMP-SSDOTTSWSA-N -2 3 392.231 0.130 20 0 GCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000828184116 600798533 /nfs/dbraw/zinc/79/85/33/600798533.db2.gz NTZLWCZLXKKMIP-NHYWBVRUSA-N -2 3 392.437 0.732 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)cc1C(=O)[O-] ZINC000833055472 600812340 /nfs/dbraw/zinc/81/23/40/600812340.db2.gz DETVXCJKAFCIDV-UHFFFAOYSA-N -2 3 377.375 0.311 20 0 GCADHL C[C@](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)(C(=O)[O-])c1cccc(Br)c1 ZINC000827687677 600943999 /nfs/dbraw/zinc/94/39/99/600943999.db2.gz NCDMLIAYWSLRCE-CQSZACIVSA-N -2 3 397.185 0.962 20 0 GCADHL Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000832861870 601093267 /nfs/dbraw/zinc/09/32/67/601093267.db2.gz LWHLEHFFMJIINL-SNVBAGLBSA-N -3 3 375.385 0.365 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(N3CCOCC3)c2)cc1C(=O)[O-] ZINC000833027145 601216469 /nfs/dbraw/zinc/21/64/69/601216469.db2.gz QEVOFMOPCAGOHQ-UHFFFAOYSA-N -2 3 381.410 0.996 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1C(=O)[O-] ZINC000833027498 601225850 /nfs/dbraw/zinc/22/58/50/601225850.db2.gz FYDRYYQYVFNSEE-KCJUWKMLSA-N -2 3 380.444 0.235 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000831139158 601230628 /nfs/dbraw/zinc/23/06/28/601230628.db2.gz SUAHFURAEJKZJA-SSDOTTSWSA-N -2 3 381.309 0.046 20 0 GCADHL CN1CCN(C(=O)CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000830946309 601231926 /nfs/dbraw/zinc/23/19/26/601231926.db2.gz JIGITUDUUMLXBB-UHFFFAOYSA-N -2 3 391.396 0.105 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000820833085 607496200 /nfs/dbraw/zinc/49/62/00/607496200.db2.gz SHODQUDDGHOQAW-ZDUSSCGKSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000820833085 607496201 /nfs/dbraw/zinc/49/62/01/607496201.db2.gz SHODQUDDGHOQAW-ZDUSSCGKSA-N -2 3 392.441 0.071 20 0 GCADHL NS(=O)(=O)c1ccc(NCCNC(=O)c2ccc([O-])cc2)c(C(=O)[O-])c1 ZINC000833089401 601249924 /nfs/dbraw/zinc/24/99/24/601249924.db2.gz PRMWYFZXPDSJCL-UHFFFAOYSA-N -2 3 379.394 0.580 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c(C)o1 ZINC000262734174 601288154 /nfs/dbraw/zinc/28/81/54/601288154.db2.gz DYVYUUFEDDRWPP-UHFFFAOYSA-N -2 3 382.394 0.890 20 0 GCADHL CC[C@@H](C)[C@H](NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000828727482 601357608 /nfs/dbraw/zinc/35/76/08/601357608.db2.gz CVKOEVAWEOVNBC-OQPBUACISA-N -2 3 390.414 0.268 20 0 GCADHL C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000825977227 601592594 /nfs/dbraw/zinc/59/25/94/601592594.db2.gz AZDXTVXKYSLRKQ-AWEZNQCLSA-N -2 3 389.452 0.862 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1-c1nn[n-]n1 ZINC000826304129 607535304 /nfs/dbraw/zinc/53/53/04/607535304.db2.gz XOFHAXZCSVWSAF-UHFFFAOYSA-N -2 3 388.409 0.840 20 0 GCADHL COc1cc(C)[n-]c(=NNS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826178882 607535653 /nfs/dbraw/zinc/53/56/53/607535653.db2.gz PSPSMKRNNNIJPX-UHFFFAOYSA-N -2 3 376.402 0.588 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)c1-c1nnn[n-]1 ZINC000826303968 607536101 /nfs/dbraw/zinc/53/61/01/607536101.db2.gz PEJIDOZFIFDRJQ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ncccn3)c2)c1-c1nn[n-]n1 ZINC000826303968 607536102 /nfs/dbraw/zinc/53/61/02/607536102.db2.gz PEJIDOZFIFDRJQ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL CS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329590 602145210 /nfs/dbraw/zinc/14/52/10/602145210.db2.gz AIWFSUINPMUNNB-UHFFFAOYSA-N -2 3 376.206 0.063 20 0 GCADHL CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000233830629 602152397 /nfs/dbraw/zinc/15/23/97/602152397.db2.gz SXGGUNYYOGRSAQ-UHFFFAOYSA-N -2 3 390.233 0.453 20 0 GCADHL CCN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000388724700 602156162 /nfs/dbraw/zinc/15/61/62/602156162.db2.gz BIMDVWNIRGJVFD-QMMMGPOBSA-N -2 3 397.247 0.739 20 0 GCADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1=O ZINC000084088521 602157788 /nfs/dbraw/zinc/15/77/88/602157788.db2.gz HJTKSTGEDOXVJM-ZCFIWIBFSA-N -2 3 381.204 0.639 20 0 GCADHL C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000823846006 602191908 /nfs/dbraw/zinc/19/19/08/602191908.db2.gz FZQNVUJSILEDTR-UWVGGRQHSA-N -2 3 391.833 0.104 20 0 GCADHL COC[C@](C)(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000831602845 602196178 /nfs/dbraw/zinc/19/61/78/602196178.db2.gz RIMFVUHMNVIJJX-OTYXRUKQSA-N -2 3 393.849 0.398 20 0 GCADHL O=C([O-])N1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000738645772 602665134 /nfs/dbraw/zinc/66/51/34/602665134.db2.gz WJEPPZDMSFLSJJ-UHFFFAOYSA-N -2 3 389.380 0.841 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000828756714 604165303 /nfs/dbraw/zinc/16/53/03/604165303.db2.gz YEFFIAMEXAPJBC-MRVPVSSYSA-N -2 3 378.428 0.964 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])ccc1F ZINC000831029177 604444940 /nfs/dbraw/zinc/44/49/40/604444940.db2.gz JKWJRCHZHPWBPP-LBPRGKRZSA-N -2 3 376.406 0.684 20 0 GCADHL O=C([O-])Cn1cc(CCS(=O)(=O)c2nc(CCC3CCCC3)n[n-]2)nn1 ZINC000833272568 604777337 /nfs/dbraw/zinc/77/73/37/604777337.db2.gz ZFUAGCJTZRYHBN-UHFFFAOYSA-N -2 3 382.446 0.620 20 0 GCADHL O=C([O-])Cn1cc(CCS(=O)(=O)c2nnc(CCC3CCCC3)[n-]2)nn1 ZINC000833272568 604777339 /nfs/dbraw/zinc/77/73/39/604777339.db2.gz ZFUAGCJTZRYHBN-UHFFFAOYSA-N -2 3 382.446 0.620 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825523188 607776547 /nfs/dbraw/zinc/77/65/47/607776547.db2.gz NULUJJRMYMYAHB-UHFFFAOYSA-N -2 3 382.402 0.198 20 0 GCADHL CCN(Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1)CC(C)(C)O ZINC000833654918 605045746 /nfs/dbraw/zinc/04/57/46/605045746.db2.gz MPBMTADIVDJUOH-UHFFFAOYSA-N -2 3 397.453 0.991 20 0 GCADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826404886 607776657 /nfs/dbraw/zinc/77/66/57/607776657.db2.gz PAZDPUUSMZOQGN-SNVBAGLBSA-N -2 3 385.496 0.910 20 0 GCADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826404886 607776658 /nfs/dbraw/zinc/77/66/58/607776658.db2.gz PAZDPUUSMZOQGN-SNVBAGLBSA-N -2 3 385.496 0.910 20 0 GCADHL O=C([O-])[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000739370512 605281349 /nfs/dbraw/zinc/28/13/49/605281349.db2.gz GDDJOOGLMLKYOL-AWEZNQCLSA-N -2 3 382.369 0.802 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CCCNC(=O)[O-])cc1F ZINC000833737666 605487597 /nfs/dbraw/zinc/48/75/97/605487597.db2.gz JKYDGYIMCKPGEU-UHFFFAOYSA-N -3 3 397.406 0.050 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000819788870 606134406 /nfs/dbraw/zinc/13/44/06/606134406.db2.gz HWMGFKSLZGIHNB-MRXNPFEDSA-N -2 3 392.441 0.239 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000819788870 606134407 /nfs/dbraw/zinc/13/44/07/606134407.db2.gz HWMGFKSLZGIHNB-MRXNPFEDSA-N -2 3 392.441 0.239 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000822222498 606179040 /nfs/dbraw/zinc/17/90/40/606179040.db2.gz JJRJHDSLNLGCBY-JTQLQIEISA-N -2 3 375.414 0.517 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)c1cnn(C)c1 ZINC000822222498 606179041 /nfs/dbraw/zinc/17/90/41/606179041.db2.gz JJRJHDSLNLGCBY-JTQLQIEISA-N -2 3 375.414 0.517 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ncccn1 ZINC000823284895 606183850 /nfs/dbraw/zinc/18/38/50/606183850.db2.gz LXTAUGHCYYEINC-UHFFFAOYSA-N -2 3 399.314 0.794 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ncccn1 ZINC000823284895 606183852 /nfs/dbraw/zinc/18/38/52/606183852.db2.gz LXTAUGHCYYEINC-UHFFFAOYSA-N -2 3 399.314 0.794 20 0 GCADHL COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821656183 606205457 /nfs/dbraw/zinc/20/54/57/606205457.db2.gz ZISCKIMUCUNDNH-NWDGAFQWSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821656183 606205459 /nfs/dbraw/zinc/20/54/59/606205459.db2.gz ZISCKIMUCUNDNH-NWDGAFQWSA-N -2 3 393.425 0.651 20 0 GCADHL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822899366 606211536 /nfs/dbraw/zinc/21/15/36/606211536.db2.gz HKTMRLPJWRFJLR-UHFFFAOYSA-N -2 3 396.410 0.021 20 0 GCADHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000822899858 606337922 /nfs/dbraw/zinc/33/79/22/606337922.db2.gz WCWVJPHQALLLJI-UHFFFAOYSA-N -2 3 396.410 0.021 20 0 GCADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)nc2n1 ZINC000822162277 606393099 /nfs/dbraw/zinc/39/30/99/606393099.db2.gz ZQERLTRZERMOBM-UHFFFAOYSA-N -2 3 387.385 0.015 20 0 GCADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)nc2n1 ZINC000822162277 606393101 /nfs/dbraw/zinc/39/31/01/606393101.db2.gz ZQERLTRZERMOBM-UHFFFAOYSA-N -2 3 387.385 0.015 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000822645677 606408194 /nfs/dbraw/zinc/40/81/94/606408194.db2.gz KFHZWXBAZYKWEY-UHFFFAOYSA-N -2 3 398.408 0.510 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000822645677 606408196 /nfs/dbraw/zinc/40/81/96/606408196.db2.gz KFHZWXBAZYKWEY-UHFFFAOYSA-N -2 3 398.408 0.510 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000822645615 606409683 /nfs/dbraw/zinc/40/96/83/606409683.db2.gz HLNJLRLTSAIMMJ-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000822645615 606409687 /nfs/dbraw/zinc/40/96/87/606409687.db2.gz HLNJLRLTSAIMMJ-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL O=c1nc2[nH]cc(S(=O)(=O)Oc3cccc(-c4nnn[n-]4)c3)cc-2c(=O)[n-]1 ZINC000823656751 606471569 /nfs/dbraw/zinc/47/15/69/606471569.db2.gz GTEYHIIPAAQUGI-UHFFFAOYSA-N -2 3 387.337 0.384 20 0 GCADHL O=c1nc2[nH]cc(S(=O)(=O)Oc3cccc(-c4nn[n-]n4)c3)cc-2c(=O)[n-]1 ZINC000823656751 606471572 /nfs/dbraw/zinc/47/15/72/606471572.db2.gz GTEYHIIPAAQUGI-UHFFFAOYSA-N -2 3 387.337 0.384 20 0 GCADHL O=S(=O)([N-]c1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1)c1cccnc1 ZINC000823589143 606606429 /nfs/dbraw/zinc/60/64/29/606606429.db2.gz PIHHLAFGOSSRTO-UHFFFAOYSA-N -2 3 383.397 0.702 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822969144 606613105 /nfs/dbraw/zinc/61/31/05/606613105.db2.gz IBWUIAHRLOWONR-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822969144 606613106 /nfs/dbraw/zinc/61/31/06/606613106.db2.gz IBWUIAHRLOWONR-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(-c2ncccn2)n1 ZINC000822209427 606695900 /nfs/dbraw/zinc/69/59/00/606695900.db2.gz IRRCTSBAKPBCGJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(-c2ncccn2)n1 ZINC000822209427 606695901 /nfs/dbraw/zinc/69/59/01/606695901.db2.gz IRRCTSBAKPBCGJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821667069 606708312 /nfs/dbraw/zinc/70/83/12/606708312.db2.gz SLUBZVFTJLEKJN-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821663527 606708385 /nfs/dbraw/zinc/70/83/85/606708385.db2.gz BEAIVKCNYITRNW-UHFFFAOYSA-N -2 3 377.386 0.117 20 0 GCADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821127249 606708639 /nfs/dbraw/zinc/70/86/39/606708639.db2.gz DOYISSZXGYUHHL-UHFFFAOYSA-N -2 3 391.413 0.968 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1C ZINC000821668280 606709239 /nfs/dbraw/zinc/70/92/39/606709239.db2.gz YSALRIOCXUXZHC-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000822622377 606711062 /nfs/dbraw/zinc/71/10/62/606711062.db2.gz BZSNVJHIKHNTJL-UHFFFAOYSA-N -2 3 385.413 0.646 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)n1 ZINC000822622654 606711069 /nfs/dbraw/zinc/71/10/69/606711069.db2.gz GIJZDDSAVOJZNP-UHFFFAOYSA-N -3 3 397.348 0.004 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000821920807 606788410 /nfs/dbraw/zinc/78/84/10/606788410.db2.gz YPYINMTYXXTERW-UHFFFAOYSA-N -2 3 375.370 0.170 20 0 GCADHL Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822198601 606864780 /nfs/dbraw/zinc/86/47/80/606864780.db2.gz BPDXOCMONGHWGU-UHFFFAOYSA-N -2 3 382.356 0.857 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccco1 ZINC000823201554 606885605 /nfs/dbraw/zinc/88/56/05/606885605.db2.gz JFXWNGCKGZJKFC-UHFFFAOYSA-N -2 3 398.351 0.446 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)NC(C)(C)C ZINC000820438248 606888640 /nfs/dbraw/zinc/88/86/40/606888640.db2.gz LPBPARMJEMKMPW-SSDOTTSWSA-N -2 3 388.400 0.726 20 0 GCADHL CCN1CCO[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821276411 606892401 /nfs/dbraw/zinc/89/24/01/606892401.db2.gz LFXVKJVHHBBYBL-JTQLQIEISA-N -2 3 388.400 0.144 20 0 GCADHL COC(=O)CC(C)(C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821657772 606892445 /nfs/dbraw/zinc/89/24/45/606892445.db2.gz VVSNSYRFGIQSFE-UHFFFAOYSA-N -2 3 375.357 0.765 20 0 GCADHL NC(=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859098 606892649 /nfs/dbraw/zinc/89/26/49/606892649.db2.gz FMYBURJKHLUEEM-CBAPKCEASA-N -2 3 386.384 0.467 20 0 GCADHL C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820678693 606893599 /nfs/dbraw/zinc/89/35/99/606893599.db2.gz XGIYEDCRNNCBBP-GMEUVTARSA-N -2 3 398.395 0.433 20 0 GCADHL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[S@@](C)=O ZINC000820240760 607006216 /nfs/dbraw/zinc/00/62/16/607006216.db2.gz DDRMNIRMUSYYIR-SYDQRWKJSA-N -2 3 379.414 0.580 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820450066 607016776 /nfs/dbraw/zinc/01/67/76/607016776.db2.gz GQIOBCWTKBCAAX-GWCFXTLKSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820450066 607016778 /nfs/dbraw/zinc/01/67/78/607016778.db2.gz GQIOBCWTKBCAAX-GWCFXTLKSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820444326 607018204 /nfs/dbraw/zinc/01/82/04/607018204.db2.gz IPEGAESNJRLWTC-GWCFXTLKSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820444326 607018206 /nfs/dbraw/zinc/01/82/06/607018206.db2.gz IPEGAESNJRLWTC-GWCFXTLKSA-N -2 3 396.429 0.108 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821937978 607026321 /nfs/dbraw/zinc/02/63/21/607026321.db2.gz UUCNARGGJUCFHO-UHFFFAOYSA-N -2 3 386.440 0.528 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820215584 607078161 /nfs/dbraw/zinc/07/81/61/607078161.db2.gz XGAWCXDOUXIJNW-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820215584 607078163 /nfs/dbraw/zinc/07/81/63/607078163.db2.gz XGAWCXDOUXIJNW-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)nn1 ZINC000822225281 607122882 /nfs/dbraw/zinc/12/28/82/607122882.db2.gz WKEYATLKSKMGSF-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825523188 607776546 /nfs/dbraw/zinc/77/65/46/607776546.db2.gz NULUJJRMYMYAHB-UHFFFAOYSA-N -2 3 382.402 0.198 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759332 607837449 /nfs/dbraw/zinc/83/74/49/607837449.db2.gz CPEROGUPHBKXTF-UHFFFAOYSA-N -2 3 389.441 0.844 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759332 607837450 /nfs/dbraw/zinc/83/74/50/607837450.db2.gz CPEROGUPHBKXTF-UHFFFAOYSA-N -2 3 389.441 0.844 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000825759324 607837622 /nfs/dbraw/zinc/83/76/22/607837622.db2.gz CNGWUHSZVQFKOH-UHFFFAOYSA-N -2 3 392.445 0.182 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000825759324 607837623 /nfs/dbraw/zinc/83/76/23/607837623.db2.gz CNGWUHSZVQFKOH-UHFFFAOYSA-N -2 3 392.445 0.182 20 0 GCADHL CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825658877 607937101 /nfs/dbraw/zinc/93/71/01/607937101.db2.gz LFESKDOOJUHJNK-ZETCQYMHSA-N -2 3 395.413 0.246 20 0 GCADHL O=S(=O)([N-][C@@H](CO)CC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487706 607938312 /nfs/dbraw/zinc/93/83/12/607938312.db2.gz XHVJHNJJJHDABK-ZCFIWIBFSA-N -2 3 387.290 0.737 20 0 GCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C1 ZINC000826461027 608011372 /nfs/dbraw/zinc/01/13/72/608011372.db2.gz CGIDQUZVPQCUCK-ZETCQYMHSA-N -2 3 391.331 0.981 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000826358612 608141393 /nfs/dbraw/zinc/14/13/93/608141393.db2.gz ASGLAKRNZBHHRO-UHFFFAOYSA-N -2 3 375.414 0.383 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826358612 608141394 /nfs/dbraw/zinc/14/13/94/608141394.db2.gz ASGLAKRNZBHHRO-UHFFFAOYSA-N -2 3 375.414 0.383 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000825892842 608274488 /nfs/dbraw/zinc/27/44/88/608274488.db2.gz VTIQIIGJCWUGSV-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000825892842 608274489 /nfs/dbraw/zinc/27/44/89/608274489.db2.gz VTIQIIGJCWUGSV-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000826319245 608294304 /nfs/dbraw/zinc/29/43/04/608294304.db2.gz UWTLKMAGJJMHGU-UHFFFAOYSA-N -2 3 377.434 0.905 20 0 GCADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2C[C@H]1C ZINC000823989335 608305099 /nfs/dbraw/zinc/30/50/99/608305099.db2.gz ULGYEVDWFOVGRS-MRVPVSSYSA-N -2 3 388.413 0.688 20 0 GCADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1C ZINC000825553149 608306443 /nfs/dbraw/zinc/30/64/43/608306443.db2.gz KCJFBWDWKFURKC-UHFFFAOYSA-N -2 3 380.390 0.512 20 0 GCADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826292791 608307361 /nfs/dbraw/zinc/30/73/61/608307361.db2.gz MCJRBQFFURDJGH-UHFFFAOYSA-N -2 3 383.415 0.103 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000825493394 608474936 /nfs/dbraw/zinc/47/49/36/608474936.db2.gz LFCBAMPEURGLBC-UHFFFAOYSA-N -2 3 379.398 0.323 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000825493394 608474937 /nfs/dbraw/zinc/47/49/37/608474937.db2.gz LFCBAMPEURGLBC-UHFFFAOYSA-N -2 3 379.398 0.323 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC1CCCC1 ZINC000824641380 608475998 /nfs/dbraw/zinc/47/59/98/608475998.db2.gz VEEZJFLUIYJGIX-JTQLQIEISA-N -2 3 380.430 0.524 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC1CCCC1 ZINC000824641380 608475999 /nfs/dbraw/zinc/47/59/99/608475999.db2.gz VEEZJFLUIYJGIX-JTQLQIEISA-N -2 3 380.430 0.524 20 0 GCADHL O=S(=O)([N-]C[C@@H](O)c1ccccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489604 608567257 /nfs/dbraw/zinc/56/72/57/608567257.db2.gz VCOSTFQPODKHIB-GFCCVEGCSA-N -2 3 382.352 0.552 20 0 GCADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cn1 ZINC000825564734 608753699 /nfs/dbraw/zinc/75/36/99/608753699.db2.gz DSBAOXKHSUXIKY-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000826279640 609147885 /nfs/dbraw/zinc/14/78/85/609147885.db2.gz XCFPRBQRNGYSKT-JTQLQIEISA-N -2 3 385.496 0.829 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CSCCS1 ZINC000826279640 609147888 /nfs/dbraw/zinc/14/78/88/609147888.db2.gz XCFPRBQRNGYSKT-JTQLQIEISA-N -2 3 385.496 0.829 20 0 GCADHL CCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825341764 609149024 /nfs/dbraw/zinc/14/90/24/609149024.db2.gz JYKWPXUUZYMQBF-UHFFFAOYSA-N -2 3 375.414 0.830 20 0 GCADHL CCCS(=O)(=O)[N-]C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825341764 609149026 /nfs/dbraw/zinc/14/90/26/609149026.db2.gz JYKWPXUUZYMQBF-UHFFFAOYSA-N -2 3 375.414 0.830 20 0 GCADHL CN(CC(=O)[O-])C(=O)NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000825897214 609166371 /nfs/dbraw/zinc/16/63/71/609166371.db2.gz DQVYXHLXHVZFQW-UHFFFAOYSA-N -2 3 375.389 0.678 20 0 GCADHL CN(CC(=O)[O-])C(=O)NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000825897214 609166373 /nfs/dbraw/zinc/16/63/73/609166373.db2.gz DQVYXHLXHVZFQW-UHFFFAOYSA-N -2 3 375.389 0.678 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCCC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449853 609256577 /nfs/dbraw/zinc/25/65/77/609256577.db2.gz MGQDPGCCOMJQKL-AWEZNQCLSA-N -2 3 391.457 0.292 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825300581 609257352 /nfs/dbraw/zinc/25/73/52/609257352.db2.gz BEZRZIDWDCEDDN-CQSZACIVSA-N -2 3 393.473 0.538 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826149976 609257431 /nfs/dbraw/zinc/25/74/31/609257431.db2.gz TZONOFQVAFDWIZ-FZMZJTMJSA-N -2 3 394.457 0.316 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826420393 609366620 /nfs/dbraw/zinc/36/66/20/609366620.db2.gz KUIRVOXVFJRRGW-ZDUSSCGKSA-N -2 3 397.482 0.725 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000826420393 609366621 /nfs/dbraw/zinc/36/66/21/609366621.db2.gz KUIRVOXVFJRRGW-ZDUSSCGKSA-N -2 3 397.482 0.725 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000825560045 609422707 /nfs/dbraw/zinc/42/27/07/609422707.db2.gz NFNUSLVSHXEOSW-UHFFFAOYSA-N -2 3 395.376 0.717 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@](C)(O)C(=O)[O-])cc1 ZINC000263506875 639169221 /nfs/dbraw/zinc/16/92/21/639169221.db2.gz WAYJDZMQWDWLPZ-CQSZACIVSA-N -2 3 394.471 0.342 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)c2cc(Br)c[nH]2)o1 ZINC000031586017 639432423 /nfs/dbraw/zinc/43/24/23/639432423.db2.gz PVVTWZUPQLCYGJ-UHFFFAOYSA-N -2 3 391.203 0.353 20 0 GCADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C ZINC000070776480 639964509 /nfs/dbraw/zinc/96/45/09/639964509.db2.gz BSPQNUWADNFOJI-UHFFFAOYSA-N -2 3 392.503 0.886 20 0 GCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCOC1 ZINC000755747489 640474592 /nfs/dbraw/zinc/47/45/92/640474592.db2.gz TUZMWVOMRREWCK-CYBMUJFWSA-N -2 3 380.419 0.429 20 0 GCADHL C[C@H](OCC1CC1)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000760131515 640564535 /nfs/dbraw/zinc/56/45/35/640564535.db2.gz DQVXQYIAVRWYIW-VIFPVBQESA-N -2 3 394.446 0.817 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C[C@@H]2CCCO2)cc1F ZINC000772759696 640849199 /nfs/dbraw/zinc/84/91/99/640849199.db2.gz LOMLVRMJDVTFSR-VIFPVBQESA-N -2 3 380.419 0.571 20 0 GCADHL CCn1nccc1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000774213274 640880783 /nfs/dbraw/zinc/88/07/83/640880783.db2.gz WVSGRSNDBUPXRR-UHFFFAOYSA-N -2 3 390.418 0.532 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Cc1nc(C)c(C(=O)[O-])s1 ZINC000776532534 641099634 /nfs/dbraw/zinc/09/96/34/641099634.db2.gz SDVNNULCPDBCOG-UHFFFAOYSA-N -2 3 388.427 0.836 20 0 GCADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)C(=O)[O-] ZINC000776535871 641099772 /nfs/dbraw/zinc/09/97/72/641099772.db2.gz APGZJLRBRMNPRF-ZETCQYMHSA-N -2 3 379.412 0.710 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)C(=O)[O-] ZINC000776540334 641100991 /nfs/dbraw/zinc/10/09/91/641100991.db2.gz SYKVOOZAFBKVMF-UWVGGRQHSA-N -2 3 375.403 0.053 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCCO2)cc1F ZINC000784896824 641296912 /nfs/dbraw/zinc/29/69/12/641296912.db2.gz OKQZDPZBBACFII-GFCCVEGCSA-N -2 3 380.419 0.571 20 0 GCADHL CC1(OCC(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCC1 ZINC000784896157 641297002 /nfs/dbraw/zinc/29/70/02/641297002.db2.gz JAFMTEGBYUZTLZ-UHFFFAOYSA-N -2 3 394.446 0.961 20 0 GCADHL CCO[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897639 641297230 /nfs/dbraw/zinc/29/72/30/641297230.db2.gz FBJBQEIKUXCOTN-CABZTGNLSA-N -2 3 380.419 0.427 20 0 GCADHL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898434 641297864 /nfs/dbraw/zinc/29/78/64/641297864.db2.gz XMKRMCYDKGNASA-VIFPVBQESA-N -2 3 382.435 0.817 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000787932282 641358094 /nfs/dbraw/zinc/35/80/94/641358094.db2.gz NWZMLXSCLPKTFW-MRVPVSSYSA-N -2 3 393.439 0.998 20 0 GCADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c(C)c1Cl ZINC000788442559 641369036 /nfs/dbraw/zinc/36/90/36/641369036.db2.gz OUSBPSDMFAVDTE-ZCFIWIBFSA-N -3 3 399.830 0.950 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)c[n-]1 ZINC000789739757 641397718 /nfs/dbraw/zinc/39/77/18/641397718.db2.gz NPDDTYJCQKDEJG-UHFFFAOYSA-N -2 3 391.402 0.930 20 0 GCADHL CN1CCOC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000872000852 641464226 /nfs/dbraw/zinc/46/42/26/641464226.db2.gz OKFSIPWGQLWLLI-ZETCQYMHSA-N -2 3 399.288 0.818 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000794762986 641496890 /nfs/dbraw/zinc/49/68/90/641496890.db2.gz TZZMUJFZYSMKME-MFKMUULPSA-N -2 3 375.374 0.770 20 0 GCADHL COC[C@H](C)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000813078796 641780385 /nfs/dbraw/zinc/78/03/85/641780385.db2.gz RTDTUSHKSXPHIO-VHSXEESVSA-N -2 3 396.462 0.921 20 0 GCADHL CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000816731817 641863379 /nfs/dbraw/zinc/86/33/79/641863379.db2.gz GSETURQQEFUWRU-UHFFFAOYSA-N -2 3 389.821 0.757 20 0 GCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CC2CCOCC2)C(=O)[O-])s1 ZINC000844787416 642409494 /nfs/dbraw/zinc/40/94/94/642409494.db2.gz WOKIVTFKJWTNBB-SNVBAGLBSA-N -2 3 377.444 0.650 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c(F)cc1F ZINC000844893388 642417581 /nfs/dbraw/zinc/41/75/81/642417581.db2.gz TWYSULYJRUYKRU-UHFFFAOYSA-N -2 3 376.259 0.620 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@]2(O)CCCOC2)c(Br)o1 ZINC000844900745 642420623 /nfs/dbraw/zinc/42/06/23/642420623.db2.gz ABUVOIVSZLAFGH-GFCCVEGCSA-N -2 3 398.231 0.950 20 0 GCADHL CCO[N-]C(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000845541725 642445524 /nfs/dbraw/zinc/44/55/24/642445524.db2.gz PWTVEZABLLOHNA-UHFFFAOYSA-N -2 3 384.867 0.047 20 0 GCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)n1 ZINC000848966426 642607285 /nfs/dbraw/zinc/60/72/85/642607285.db2.gz OZLRVGGWZUZJCL-SSDOTTSWSA-N -2 3 396.476 0.042 20 0 GCADHL CCO[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000860613666 643038941 /nfs/dbraw/zinc/03/89/41/643038941.db2.gz DCUXDTDSGDAXAU-ZDUSSCGKSA-N -2 3 394.446 0.817 20 0 GCADHL CN(C)C(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000160775541 677369417 /nfs/dbraw/zinc/36/94/17/677369417.db2.gz AXQFYHGLTKNRFN-UHFFFAOYSA-N -2 3 384.208 0.290 20 0 GCADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001648849238 1184843935 /nfs/dbraw/zinc/84/39/35/1184843935.db2.gz JKIVMSNMAOAFIT-UHFFFAOYSA-N -2 3 378.389 0.007 20 0 GCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)[O-])O3)n1 ZINC000656180433 1185171482 /nfs/dbraw/zinc/17/14/82/1185171482.db2.gz KEJYUADWFYAODL-LBPRGKRZSA-N -2 3 381.414 0.295 20 0 GCADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1C(N)=O ZINC000064940442 1185250879 /nfs/dbraw/zinc/25/08/79/1185250879.db2.gz DQFMLWFTSNBEFX-UHFFFAOYSA-N -2 3 398.466 0.591 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](Cn2nc(C)cc2C)C(=O)[O-])oc1C ZINC000548209315 1185884760 /nfs/dbraw/zinc/88/47/60/1185884760.db2.gz NACHXYICHVGDAJ-GFCCVEGCSA-N -2 3 385.398 0.620 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548225453 1185897902 /nfs/dbraw/zinc/89/79/02/1185897902.db2.gz MSJNIBVFPOXXJR-LLVKDONJSA-N -2 3 399.400 0.568 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](Cn1cc(C)cn1)C(=O)[O-] ZINC000548530551 1186302642 /nfs/dbraw/zinc/30/26/42/1186302642.db2.gz PCBJECMEGQCJRH-LLVKDONJSA-N -2 3 385.373 0.549 20 0 GCADHL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548535276 1186304466 /nfs/dbraw/zinc/30/44/66/1186304466.db2.gz YMZRXEJVBYPTBU-CYBMUJFWSA-N -2 3 397.478 0.874 20 0 GCADHL O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000068216485 1186317749 /nfs/dbraw/zinc/31/77/49/1186317749.db2.gz CTYGXTHGVOPVJM-UHFFFAOYSA-N -2 3 375.362 0.302 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000728507248 1186622502 /nfs/dbraw/zinc/62/25/02/1186622502.db2.gz PNQDECIMEVFFGX-UHFFFAOYSA-N -2 3 377.386 0.876 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1cccc(-n2cnnn2)c1)NCCc1cccs1 ZINC000065832752 1187439352 /nfs/dbraw/zinc/43/93/52/1187439352.db2.gz RTQKRSNCCYCVCR-UHFFFAOYSA-N -2 3 393.454 0.459 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)cc2c1OCCO2 ZINC000065832958 1187439633 /nfs/dbraw/zinc/43/96/33/1187439633.db2.gz NLRBLBOWIMUPHX-UHFFFAOYSA-N -3 3 385.398 0.591 20 0 GCADHL CC[C@H](NC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(=O)[O-] ZINC000647488556 1187545799 /nfs/dbraw/zinc/54/57/99/1187545799.db2.gz BVGIMDJCTGVXIK-JTQLQIEISA-N -2 3 387.414 0.375 20 0 GCADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCS(=O)(=O)[C@@H](C(=O)[O-])C3)nc2)n1 ZINC000424468547 1187940885 /nfs/dbraw/zinc/94/08/85/1187940885.db2.gz JJMQVXWJEUDAMC-GFCCVEGCSA-N -2 3 378.410 0.495 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)co1 ZINC000756407310 1189510705 /nfs/dbraw/zinc/51/07/05/1189510705.db2.gz YRKKFWRKRKXWTM-UHFFFAOYSA-N -2 3 399.406 0.367 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C)o1 ZINC000514863913 1194922850 /nfs/dbraw/zinc/92/28/50/1194922850.db2.gz YBHHETQVZWIFJN-SNVBAGLBSA-N -2 3 397.413 0.263 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1 ZINC000515287348 1194964857 /nfs/dbraw/zinc/96/48/57/1194964857.db2.gz JHKFZOYLQHTZRY-GXTWGEPZSA-N -2 3 399.446 0.870 20 0 GCADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1N ZINC000439250498 1195300223 /nfs/dbraw/zinc/30/02/23/1195300223.db2.gz MMSGYAYVXLLOBS-UHFFFAOYSA-N -2 3 375.362 0.740 20 0 GCADHL COC(=O)Cn1ncc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1C ZINC000475840026 1197276035 /nfs/dbraw/zinc/27/60/35/1197276035.db2.gz WXAUWQCYUSLEIY-UHFFFAOYSA-N -2 3 378.366 0.049 20 0 GCADHL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3cnc(C)[n-]c3=O)cc2)[n-]1 ZINC000543316105 1199652575 /nfs/dbraw/zinc/65/25/75/1199652575.db2.gz JUELJADDBFSEHA-UHFFFAOYSA-N -2 3 397.391 0.615 20 0 GCADHL CCOC(=O)C(=O)c1cc(S(=O)(=O)[N-]c2c[n-]c(C(=O)OCC)n2)cn1C ZINC000808560823 1205609172 /nfs/dbraw/zinc/60/91/72/1205609172.db2.gz ZEINGIHLEKJNPN-UHFFFAOYSA-N -2 3 398.397 0.472 20 0 GCADHL CC(C)CN(Cc1nnn[n-]1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001176594761 1205749023 /nfs/dbraw/zinc/74/90/23/1205749023.db2.gz ULOUHKGEHQUXDC-UHFFFAOYSA-N -2 3 392.894 0.878 20 0 GCADHL CO[N-]C(=O)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC001179624013 1205813115 /nfs/dbraw/zinc/81/31/15/1205813115.db2.gz XEVWIPOMPDPCNT-UHFFFAOYSA-N -2 3 396.252 0.842 20 0 GCADHL CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181047045 1205837870 /nfs/dbraw/zinc/83/78/70/1205837870.db2.gz XIHDWFCQVYUGIZ-SNVBAGLBSA-N -2 3 382.350 0.517 20 0 GCADHL O=S(=O)([N-]c1nccnc1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566531 1205924162 /nfs/dbraw/zinc/92/41/62/1205924162.db2.gz PNMBOYJQCPLCAU-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL O=S(=O)([N-]c1nccnc1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566531 1205924163 /nfs/dbraw/zinc/92/41/63/1205924163.db2.gz PNMBOYJQCPLCAU-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL NC(=O)c1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565531 1205924197 /nfs/dbraw/zinc/92/41/97/1205924197.db2.gz BZLVVDMZTZCSID-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565531 1205924199 /nfs/dbraw/zinc/92/41/99/1205924199.db2.gz BZLVVDMZTZCSID-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001186808539 1205948019 /nfs/dbraw/zinc/94/80/19/1205948019.db2.gz VVENARKCZJAUOA-LRDDRELGSA-N -2 3 391.357 0.568 20 0 GCADHL O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)CC1CC1 ZINC001188930634 1205992925 /nfs/dbraw/zinc/99/29/25/1205992925.db2.gz LUKMQAYOAAICRI-UHFFFAOYSA-N -3 3 391.346 0.130 20 0 GCADHL CCOC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)[n-]n1 ZINC001189915307 1206020627 /nfs/dbraw/zinc/02/06/27/1206020627.db2.gz WUIVZFUVMYQYAO-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL CCOC(=O)c1cc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)n[n-]1 ZINC001189915307 1206020629 /nfs/dbraw/zinc/02/06/29/1206020629.db2.gz WUIVZFUVMYQYAO-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC001571258678 945361636 /nfs/dbraw/zinc/36/16/36/945361636.db2.gz YXMBRKPFWJTCCR-UHFFFAOYSA-N -2 3 385.409 0.836 20 0 GCADHL Cc1c2ccccn2c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nnn[n-]1 ZINC001571294943 946150991 /nfs/dbraw/zinc/15/09/91/946150991.db2.gz QNYPQQPDRYSXFT-UHFFFAOYSA-N -2 3 390.367 0.451 20 0 GCADHL Cc1c2ccccn2c(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nn[n-]n1 ZINC001571294943 946150995 /nfs/dbraw/zinc/15/09/95/946150995.db2.gz QNYPQQPDRYSXFT-UHFFFAOYSA-N -2 3 390.367 0.451 20 0 GCADHL O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C12CCC2)c1ccccc1[O-] ZINC001571310259 946465583 /nfs/dbraw/zinc/46/55/83/946465583.db2.gz ZVULYLIOHMGTOW-KGLIPLIRSA-N -2 3 392.423 0.937 20 0 GCADHL CC(=O)NCC[C@H]1CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573529074 946669175 /nfs/dbraw/zinc/66/91/75/946669175.db2.gz JEPFQAOPRRVCKI-GFCCVEGCSA-N -2 3 385.432 0.353 20 0 GCADHL CCOC(=O)c1cnn(CC(=O)[N-]C(=O)c2ccc(OC)cc2)c1-c1nnn[n-]1 ZINC000825564671 947222095 /nfs/dbraw/zinc/22/20/95/947222095.db2.gz BPBSMUMIMSARSS-UHFFFAOYSA-N -2 3 399.367 0.205 20 0 GCADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000826165518 947521986 /nfs/dbraw/zinc/52/19/86/947521986.db2.gz YQDOWSAQZMJRJB-UHFFFAOYSA-N -2 3 376.398 0.470 20 0 GCADHL COCc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000826165518 947521999 /nfs/dbraw/zinc/52/19/99/947521999.db2.gz YQDOWSAQZMJRJB-UHFFFAOYSA-N -2 3 376.398 0.470 20 0 GCADHL COc1cc(F)c(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1OC ZINC000826180177 947556429 /nfs/dbraw/zinc/55/64/29/947556429.db2.gz VPNVHPNBYNCDNE-UHFFFAOYSA-N -2 3 383.365 0.855 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000826211574 947619222 /nfs/dbraw/zinc/61/92/22/947619222.db2.gz KWJMEOFOCDJISA-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000826211574 947619228 /nfs/dbraw/zinc/61/92/28/947619228.db2.gz KWJMEOFOCDJISA-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000826279563 947805266 /nfs/dbraw/zinc/80/52/66/947805266.db2.gz UUHVINPPUIMMRB-JQWIXIFHSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@@H](C)C1 ZINC000826279563 947805273 /nfs/dbraw/zinc/80/52/73/947805273.db2.gz UUHVINPPUIMMRB-JQWIXIFHSA-N -2 3 377.426 0.985 20 0 GCADHL O=C(Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)c1n[nH]c(=O)[n-]c1=O ZINC000826459958 948345225 /nfs/dbraw/zinc/34/52/25/948345225.db2.gz HDPMXYDYEZNHGV-UHFFFAOYSA-N -2 3 397.380 0.763 20 0 GCADHL O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1n[nH]c(=O)[n-]c1=O ZINC000826459958 948345231 /nfs/dbraw/zinc/34/52/31/948345231.db2.gz HDPMXYDYEZNHGV-UHFFFAOYSA-N -2 3 397.380 0.763 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826480810 948394116 /nfs/dbraw/zinc/39/41/16/948394116.db2.gz RWOBRAGESCAIIJ-UHFFFAOYSA-N -2 3 387.381 0.198 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826480810 948394124 /nfs/dbraw/zinc/39/41/24/948394124.db2.gz RWOBRAGESCAIIJ-UHFFFAOYSA-N -2 3 387.381 0.198 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902872 950267002 /nfs/dbraw/zinc/26/70/02/950267002.db2.gz XOKCUPJFHJPHPS-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902872 950267020 /nfs/dbraw/zinc/26/70/20/950267020.db2.gz XOKCUPJFHJPHPS-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL O=C(NC1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1)c1ccccc1[O-] ZINC001571161001 952729727 /nfs/dbraw/zinc/72/97/27/952729727.db2.gz OLUCQVWNSWHADE-UHFFFAOYSA-N -2 3 380.412 0.937 20 0 GCADHL CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571171596 952795226 /nfs/dbraw/zinc/79/52/26/952795226.db2.gz SWCSEZMXVHVINJ-GFCCVEGCSA-N -2 3 381.400 0.720 20 0 GCADHL CC1(C)CN(C(=O)c2ncccc2[O-])C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571171596 952795230 /nfs/dbraw/zinc/79/52/30/952795230.db2.gz SWCSEZMXVHVINJ-GFCCVEGCSA-N -2 3 381.400 0.720 20 0 GCADHL O=C(N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001571176149 952829681 /nfs/dbraw/zinc/82/96/81/952829681.db2.gz MSTBBXXUILJDBJ-GHMZBOCLSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001571176149 952829685 /nfs/dbraw/zinc/82/96/85/952829685.db2.gz MSTBBXXUILJDBJ-GHMZBOCLSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194857 952969715 /nfs/dbraw/zinc/96/97/15/952969715.db2.gz TVVFAGWDAKEWTR-NXEZZACHSA-N -2 3 382.384 0.328 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)c1[O-] ZINC001571226490 953156116 /nfs/dbraw/zinc/15/61/16/953156116.db2.gz SEBGCJGPKONLLL-GFCCVEGCSA-N -2 3 383.416 0.644 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)c1[O-] ZINC001571226490 953156118 /nfs/dbraw/zinc/15/61/18/953156118.db2.gz SEBGCJGPKONLLL-GFCCVEGCSA-N -2 3 383.416 0.644 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001571239118 953236163 /nfs/dbraw/zinc/23/61/63/953236163.db2.gz QVAMGTKEVIZGSQ-ZJUUUORDSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001571239118 953236166 /nfs/dbraw/zinc/23/61/66/953236166.db2.gz QVAMGTKEVIZGSQ-ZJUUUORDSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)[C@H]2C)c1[O-] ZINC001571239765 953242624 /nfs/dbraw/zinc/24/26/24/953242624.db2.gz XKZLWQCXULKNFL-UWVGGRQHSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)[C@H]2C)c1[O-] ZINC001571239765 953242626 /nfs/dbraw/zinc/24/26/26/953242626.db2.gz XKZLWQCXULKNFL-UWVGGRQHSA-N -2 3 384.404 0.181 20 0 GCADHL CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@]2(C(=O)[O-])CCOC2)cc1 ZINC001593688342 954005081 /nfs/dbraw/zinc/00/50/81/954005081.db2.gz MAXHDINPWJCSMO-MRXNPFEDSA-N -2 3 386.351 0.605 20 0 GCADHL CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001593703595 954141677 /nfs/dbraw/zinc/14/16/77/954141677.db2.gz GATLDABAQMXPGO-NPMABZOXSA-N -2 3 377.444 0.068 20 0 GCADHL CC(C)[C@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000655875674 954261800 /nfs/dbraw/zinc/26/18/00/954261800.db2.gz IDBCNONNFJBBKU-NSHDSACASA-N -2 3 393.412 0.899 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001594888465 954487975 /nfs/dbraw/zinc/48/79/75/954487975.db2.gz DSCLIWJLFSQFQB-QRTLGDNMSA-N -2 3 388.346 0.637 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001594888465 954487981 /nfs/dbraw/zinc/48/79/81/954487981.db2.gz DSCLIWJLFSQFQB-QRTLGDNMSA-N -2 3 388.346 0.637 20 0 GCADHL COC(=O)[C@](C)(Cc1ccc(F)cc1)[N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001593804286 954881404 /nfs/dbraw/zinc/88/14/04/954881404.db2.gz PWFLZUWSQWNABG-BBRMVZONSA-N -2 3 388.417 0.683 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCC[C@@H](OC)C1 ZINC001593810838 954935799 /nfs/dbraw/zinc/93/57/99/954935799.db2.gz HZQLZNURYWPUFZ-FVCCEPFGSA-N -2 3 378.447 0.117 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC001594501664 955326081 /nfs/dbraw/zinc/32/60/81/955326081.db2.gz DNYUQAVNNITRRY-LBPRGKRZSA-N -2 3 375.447 0.823 20 0 GCADHL COC(=O)CCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001593839552 955344435 /nfs/dbraw/zinc/34/44/35/955344435.db2.gz KTKQUXNIWPDBSK-UHFFFAOYSA-N -2 3 398.846 0.156 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001593849827 955444761 /nfs/dbraw/zinc/44/47/61/955444761.db2.gz JJSZJSDBJHDBRM-BSNNYGBQSA-N -2 3 384.476 0.658 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593866731 955584196 /nfs/dbraw/zinc/58/41/96/955584196.db2.gz NYJBJNKORIUKDA-MRXNPFEDSA-N -2 3 381.410 0.826 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)[O-] ZINC001603193762 972299905 /nfs/dbraw/zinc/29/99/05/972299905.db2.gz VAPKJAOXUANVCO-YFKPBYRVSA-N -2 3 383.195 0.686 20 0 GCADHL CCN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1=O ZINC000391585302 972348397 /nfs/dbraw/zinc/34/83/97/972348397.db2.gz ZWCCHWKPXDFJPJ-ZCFIWIBFSA-N -2 3 381.204 0.639 20 0 GCADHL O=C([O-])[C@H]1CC(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)=NN1c1ccccc1 ZINC001605749471 972402417 /nfs/dbraw/zinc/40/24/17/972402417.db2.gz QMUBFUNBPCXRJO-IUODEOHRSA-N -2 3 396.407 0.597 20 0 GCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)C3(CC(=O)[O-])CCOCC3)C2)n1 ZINC001594269438 959785462 /nfs/dbraw/zinc/78/54/62/959785462.db2.gz PMVLRKAQACOPQP-ZDUSSCGKSA-N -2 3 378.429 0.847 20 0 GCADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001324022853 961025591 /nfs/dbraw/zinc/02/55/91/961025591.db2.gz VQJGMMRJYMZJDV-QGZVFWFLSA-N -2 3 382.392 0.285 20 0 GCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)oc1C(=O)[O-] ZINC001327617323 961175941 /nfs/dbraw/zinc/17/59/41/961175941.db2.gz RBOJERAFCPPJIJ-HZMBPMFUSA-N -2 3 393.439 0.301 20 0 GCADHL O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001574512476 961808712 /nfs/dbraw/zinc/80/87/12/961808712.db2.gz NNRUSCQYYJCOSN-GHMZBOCLSA-N -3 3 388.298 0.698 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)[O-])n2)ccc1F ZINC000843338299 969239885 /nfs/dbraw/zinc/23/98/85/969239885.db2.gz FTQCWSZYLBSADP-UHFFFAOYSA-N -2 3 385.377 0.441 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)C1 ZINC000846712491 969257006 /nfs/dbraw/zinc/25/70/06/969257006.db2.gz SWDXDVQLNDSODD-NSHDSACASA-N -2 3 384.392 0.873 20 0 GCADHL Cc1cc(=O)[n-]c(N2CCC[C@H](NC(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)C2)n1 ZINC001605092437 972744431 /nfs/dbraw/zinc/74/44/31/972744431.db2.gz NEYILVHMISYRCW-IHRRRGAJSA-N -2 3 378.429 0.846 20 0 GCADHL Cn1nccc1[C@H]([N-]S(=O)(=O)c1ccc(Br)nc1F)C(=O)[O-] ZINC001605569465 973823550 /nfs/dbraw/zinc/82/35/50/973823550.db2.gz FHBBEKBPZKNRGS-VIFPVBQESA-N -2 3 393.194 0.821 20 0 GCADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)[O-] ZINC001603918722 974413464 /nfs/dbraw/zinc/41/34/64/974413464.db2.gz KFVJISDLGBIKLW-MRVPVSSYSA-N -2 3 377.220 0.942 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])ccc1F ZINC001591666862 975418864 /nfs/dbraw/zinc/41/88/64/975418864.db2.gz RUVATMUIXHSIEN-GXTWGEPZSA-N -2 3 388.417 0.563 20 0 GCADHL C[C@@H](CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592240080 977452166 /nfs/dbraw/zinc/45/21/66/977452166.db2.gz LDPXIUBVSIXHEL-QISWUMQESA-N -2 3 387.845 0.581 20 0 GCADHL C[C@H](CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592240079 977452232 /nfs/dbraw/zinc/45/22/32/977452232.db2.gz LDPXIUBVSIXHEL-DNJQJEMRSA-N -2 3 387.845 0.581 20 0 GCADHL C[C@@H](CC(=O)NCC1(C(=O)[O-])CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592254567 977490163 /nfs/dbraw/zinc/49/01/63/977490163.db2.gz LBHCFIIOSOELEI-VIFPVBQESA-N -2 3 375.834 0.773 20 0 GCADHL CCC[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)c1nnn[n-]1 ZINC000829230207 978996191 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IMYHNOYKFFOQTH-CYBMUJFWSA-N -2 3 383.470 0.927 20 0 GCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1 ZINC001588660923 983785410 /nfs/dbraw/zinc/78/54/10/983785410.db2.gz CRFZSONYLWTFGT-GWCFXTLKSA-N -2 3 376.365 0.995 20 0 GCADHL CCOC(=O)[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1F ZINC001596519852 984315117 /nfs/dbraw/zinc/31/51/17/984315117.db2.gz QGMGSCLPLOUIOF-VIFPVBQESA-N -2 3 390.389 0.724 20 0 GCADHL CCOC(=O)[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1F ZINC001596519851 984315266 /nfs/dbraw/zinc/31/52/66/984315266.db2.gz QGMGSCLPLOUIOF-SECBINFHSA-N -2 3 390.389 0.724 20 0 GCADHL CCOC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596527515 984344003 /nfs/dbraw/zinc/34/40/03/984344003.db2.gz IHXRPKAXDKGKMI-QWHCGFSZSA-N -2 3 378.447 0.118 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)[C@H]1CCCOC1 ZINC001596545005 984403411 /nfs/dbraw/zinc/40/34/11/984403411.db2.gz YHYZINICAUIQSZ-JQWIXIFHSA-N -2 3 375.399 0.923 20 0 GCADHL CCOC(=O)N1CCC([C@@H](C)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001596644243 984648924 /nfs/dbraw/zinc/64/89/24/984648924.db2.gz IMSOSNVTKHTMCP-SECBINFHSA-N -2 3 388.446 0.952 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001596723421 984968095 /nfs/dbraw/zinc/96/80/95/984968095.db2.gz AEDRUZXFDOJQLZ-ZWNOBZJWSA-N -2 3 375.374 0.770 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC(CO)C2)c1 ZINC001596723555 984970745 /nfs/dbraw/zinc/97/07/45/984970745.db2.gz IYPRJOVUUONZPP-UHFFFAOYSA-N -2 3 375.374 0.506 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCOC2)c(F)c1 ZINC001596726705 984985618 /nfs/dbraw/zinc/98/56/18/984985618.db2.gz ZQEPEBVHCRAZJX-HNNXBMFYSA-N -2 3 375.374 0.772 20 0 GCADHL CCOC(=O)c1nc(C2CCN(S(=O)(=O)CC3(C(=O)[O-])CC3)CC2)n[n-]1 ZINC001596749369 985086381 /nfs/dbraw/zinc/08/63/81/985086381.db2.gz GBXZJFLRXQSWBP-UHFFFAOYSA-N -2 3 386.430 0.355 20 0 GCADHL 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CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CCCC(=O)OC)c1 ZINC000274937744 530302458 /nfs/dbraw/zinc/30/24/58/530302458.db2.gz DNTUIIBLZLSIKQ-UHFFFAOYSA-N -2 3 393.439 0.873 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1)C(=O)[O-] ZINC000274934619 530302523 /nfs/dbraw/zinc/30/25/23/530302523.db2.gz DAMKGXXPIKYDFU-LLVKDONJSA-N -2 3 379.337 0.852 20 0 GCADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000274967623 530303250 /nfs/dbraw/zinc/30/32/50/530303250.db2.gz VXPFIMMSEGDESU-QMMMGPOBSA-N -3 3 394.199 0.590 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CCO)C(=O)[O-])cc1F ZINC000274991100 530303754 /nfs/dbraw/zinc/30/37/54/530303754.db2.gz ZBKUPWIPEMTBQX-GFCCVEGCSA-N -2 3 398.434 0.090 20 0 GCADHL CCC(=O)C[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000274987417 530303849 /nfs/dbraw/zinc/30/38/49/530303849.db2.gz KIZQYUYOZVJCFH-LBPRGKRZSA-N -2 3 396.418 0.298 20 0 GCADHL CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275006654 530303997 /nfs/dbraw/zinc/30/39/97/530303997.db2.gz MQCQVIPDKMQQAO-GFCCVEGCSA-N -2 3 382.435 0.975 20 0 GCADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-])s1 ZINC000275013848 530304115 /nfs/dbraw/zinc/30/41/15/530304115.db2.gz CDPVCNAMEHNCQG-SSDOTTSWSA-N -2 3 385.261 0.816 20 0 GCADHL CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000275006656 530304142 /nfs/dbraw/zinc/30/41/42/530304142.db2.gz MQCQVIPDKMQQAO-LBPRGKRZSA-N -2 3 382.435 0.975 20 0 GCADHL O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275046714 530304863 /nfs/dbraw/zinc/30/48/63/530304863.db2.gz FXZHZVDOTKWHFT-PWSUYJOCSA-N -2 3 393.845 0.869 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CCO)C(=O)[O-])cc1F ZINC000275059252 530305380 /nfs/dbraw/zinc/30/53/80/530305380.db2.gz JMGLHKUMMMEBFT-LBPRGKRZSA-N -2 3 398.434 0.091 20 0 GCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCC(N)=O)C(=O)[O-] ZINC000275064731 530305753 /nfs/dbraw/zinc/30/57/53/530305753.db2.gz KFVURMQEPBXDHV-SECBINFHSA-N -2 3 378.790 0.124 20 0 GCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000275081397 530306091 /nfs/dbraw/zinc/30/60/91/530306091.db2.gz NHASOXPVXHPEMN-GFCCVEGCSA-N -2 3 378.834 0.982 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])c(OC)c1 ZINC000275130388 530307032 /nfs/dbraw/zinc/30/70/32/530307032.db2.gz NRPZIYBFYDVZHK-UHFFFAOYSA-N -2 3 394.471 0.942 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(CNC(C)=O)s1)C(=O)[O-] ZINC000275242294 530308974 /nfs/dbraw/zinc/30/89/74/530308974.db2.gz KKBGHKPLZKYTGX-JTQLQIEISA-N -2 3 378.428 0.069 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000275276360 530309388 /nfs/dbraw/zinc/30/93/88/530309388.db2.gz NRLJPZROOWYIFD-VIFPVBQESA-N -2 3 396.215 0.752 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(C(=O)OC)s1 ZINC000275259436 530309421 /nfs/dbraw/zinc/30/94/21/530309421.db2.gz MCFLGPMICORVCY-UHFFFAOYSA-N -2 3 379.412 0.710 20 0 GCADHL CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])s1 ZINC000275310098 530309989 /nfs/dbraw/zinc/30/99/89/530309989.db2.gz RFHTUUSAXCJVAF-JTQLQIEISA-N -2 3 378.472 0.177 20 0 GCADHL CC(C)(NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnn[n-]1 ZINC000569728991 530310255 /nfs/dbraw/zinc/31/02/55/530310255.db2.gz RYDHKZBKDDTCPR-UHFFFAOYSA-N -2 3 393.256 0.836 20 0 GCADHL CC(C)(NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nn[n-]n1 ZINC000569728991 530310256 /nfs/dbraw/zinc/31/02/56/530310256.db2.gz RYDHKZBKDDTCPR-UHFFFAOYSA-N -2 3 393.256 0.836 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC)C(=O)[O-] ZINC000275356858 530310740 /nfs/dbraw/zinc/31/07/40/530310740.db2.gz WZUBDOJORVIPLB-JTQLQIEISA-N -2 3 393.801 0.811 20 0 GCADHL CS(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)c1ccc3n[n-]nc3c1)CC2 ZINC000570002166 530314377 /nfs/dbraw/zinc/31/43/77/530314377.db2.gz QHQPZYBWHWYGHN-UHFFFAOYSA-N -2 3 378.439 0.984 20 0 GCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc(Br)cc2F)nn1 ZINC000317822182 530320721 /nfs/dbraw/zinc/32/07/21/530320721.db2.gz ZCGNLXKKKPYCKQ-UHFFFAOYSA-N -2 3 393.194 0.856 20 0 GCADHL COC(=O)NCCc1ccc(S(=O)(=O)[N-]CCSCC(=O)[O-])s1 ZINC000276203943 530321107 /nfs/dbraw/zinc/32/11/07/530321107.db2.gz JDKBQIZECLOUHS-UHFFFAOYSA-N -2 3 382.485 0.743 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F)C(=O)[O-] ZINC000327499894 530355742 /nfs/dbraw/zinc/35/57/42/530355742.db2.gz GHLDOGFIJIEIIB-NSHDSACASA-N -2 3 376.362 0.469 20 0 GCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)[n-]1 ZINC000460532269 530358093 /nfs/dbraw/zinc/35/80/93/530358093.db2.gz MFOHCSKOKNFQIH-UHFFFAOYSA-N -2 3 388.789 0.761 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nnc(CC(=O)OC)[n-]2)cc1 ZINC000460538963 530358518 /nfs/dbraw/zinc/35/85/18/530358518.db2.gz LEHYIBSMSKMQRO-UHFFFAOYSA-N -2 3 388.427 0.115 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000278181872 530338561 /nfs/dbraw/zinc/33/85/61/530338561.db2.gz QTXYMWWDYRHVFR-NSHDSACASA-N -2 3 377.346 0.297 20 0 GCADHL COc1ccc(Br)c(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])c1 ZINC000278226551 530338762 /nfs/dbraw/zinc/33/87/62/530338762.db2.gz JVGLULPFOPCKME-UHFFFAOYSA-N -2 3 395.231 0.327 20 0 GCADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)[O-] ZINC000278360618 530340680 /nfs/dbraw/zinc/34/06/80/530340680.db2.gz YLBBTDPCSOEGQK-LLVKDONJSA-N -2 3 378.834 0.412 20 0 GCADHL CC[C@](COC)(NC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1)C(=O)[O-] ZINC000562974280 530341225 /nfs/dbraw/zinc/34/12/25/530341225.db2.gz HDOLCBJXQDVXFK-CYBMUJFWSA-N -2 3 379.460 0.335 20 0 GCADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])c(C)c1Cl ZINC000278731647 530343366 /nfs/dbraw/zinc/34/33/66/530343366.db2.gz PRRJIXOIUCPLOW-RXMQYKEDSA-N -2 3 384.819 0.103 20 0 GCADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c(C)c1Cl ZINC000278840436 530344044 /nfs/dbraw/zinc/34/40/44/530344044.db2.gz ZTCANNLBVAYPRH-RXMQYKEDSA-N -3 3 385.803 0.703 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000527301927 530345785 /nfs/dbraw/zinc/34/57/85/530345785.db2.gz HWPGOKTYDMOJTI-KOLCDFICSA-N -2 3 381.834 0.868 20 0 GCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000282912669 530375849 /nfs/dbraw/zinc/37/58/49/530375849.db2.gz SDCPELKMAWRBAD-UHFFFAOYSA-N -2 3 376.818 0.880 20 0 GCADHL CCC[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000582097688 530378006 /nfs/dbraw/zinc/37/80/06/530378006.db2.gz VBLMHLKXKZCOBM-VIFPVBQESA-N -2 3 382.435 0.976 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])s1 ZINC000285147942 530390386 /nfs/dbraw/zinc/39/03/86/530390386.db2.gz OPPJUOLGKVIQDX-NSHDSACASA-N -2 3 378.472 0.931 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-] ZINC000659161021 530393054 /nfs/dbraw/zinc/39/30/54/530393054.db2.gz ISPFTWNHJTYNHS-JQWIXIFHSA-N -2 3 375.447 0.916 20 0 GCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000282317470 530369654 /nfs/dbraw/zinc/36/96/54/530369654.db2.gz OGGIAPXBCCRKSW-PSASIEDQSA-N -2 3 380.419 0.681 20 0 GCADHL CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000497950373 530396395 /nfs/dbraw/zinc/39/63/95/530396395.db2.gz MWVUVRDLSSAFMC-JQWIXIFHSA-N -2 3 393.462 0.390 20 0 GCADHL O=C([O-])[C@@H]1CN(C(=O)C(=O)NCc2ccc([O-])c(Br)c2)CCO1 ZINC000643169374 530404249 /nfs/dbraw/zinc/40/42/49/530404249.db2.gz WBXBJSBLIRKXJZ-NSHDSACASA-N -2 3 387.186 0.083 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-] ZINC000652076084 530394598 /nfs/dbraw/zinc/39/45/98/530394598.db2.gz MSYUSPJAJRXTGQ-KOLCDFICSA-N -2 3 375.447 0.964 20 0 GCADHL CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]CC1(C(=O)[O-])CCOCC1 ZINC000592455498 530416798 /nfs/dbraw/zinc/41/67/98/530416798.db2.gz GFALLGBLCXMPAI-VIFPVBQESA-N -2 3 391.364 0.671 20 0 GCADHL C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000531244970 530420423 /nfs/dbraw/zinc/42/04/23/530420423.db2.gz BHMVITQAMZSIHE-PWSUYJOCSA-N -2 3 396.462 0.670 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC=CCC2)n[n-]1 ZINC000594638001 530437590 /nfs/dbraw/zinc/43/75/90/530437590.db2.gz RPAKWTWZBGHMFH-UHFFFAOYSA-N -2 3 395.532 0.640 20 0 GCADHL NC(=O)CC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000291949047 530444304 /nfs/dbraw/zinc/44/43/04/530444304.db2.gz ZPFPGJHYSJCYAZ-ZCFIWIBFSA-N -2 3 388.295 0.721 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC)C(=O)[O-] ZINC000563081894 530455383 /nfs/dbraw/zinc/45/53/83/530455383.db2.gz SSGNSMNERGDGOO-QMMMGPOBSA-N -2 3 398.231 0.844 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000297001865 530472250 /nfs/dbraw/zinc/47/22/50/530472250.db2.gz QXLBOWILPWRUEW-ZETCQYMHSA-N -2 3 377.762 0.561 20 0 GCADHL Cc1cnn(CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000605161153 530503182 /nfs/dbraw/zinc/50/31/82/530503182.db2.gz NEPUIBGXLTVGLS-UHFFFAOYSA-N -2 3 376.435 0.681 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2COC[C@@H]2OC)c(F)c1 ZINC000416566526 530512935 /nfs/dbraw/zinc/51/29/35/530512935.db2.gz GYDTWOJDXNVXNC-OLZOCXBDSA-N -2 3 396.462 0.670 20 0 GCADHL CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000416617187 530514002 /nfs/dbraw/zinc/51/40/02/530514002.db2.gz DGXBNNZTELZTIF-SECBINFHSA-N -2 3 381.451 0.389 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](CC(=O)[O-])C1 ZINC000571017309 530515393 /nfs/dbraw/zinc/51/53/93/530515393.db2.gz BJHTWWMZVIOCNV-LBPRGKRZSA-N -2 3 390.483 0.860 20 0 GCADHL CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000534007908 530522142 /nfs/dbraw/zinc/52/21/42/530522142.db2.gz FAKZCXYHMNVRSW-GZMMTYOYSA-N -2 3 386.492 0.588 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)O ZINC000563353271 530524424 /nfs/dbraw/zinc/52/44/24/530524424.db2.gz ZJCCMCGBJSXIRR-ZDMBXUJBSA-N -2 3 381.834 0.866 20 0 GCADHL CSC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443243535 530531379 /nfs/dbraw/zinc/53/13/79/530531379.db2.gz XBCRTIKACYGSBH-JTQLQIEISA-N -2 3 386.492 0.590 20 0 GCADHL CCN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000330886041 530531593 /nfs/dbraw/zinc/53/15/93/530531593.db2.gz RHVLYYNBUADFPI-GFCCVEGCSA-N -2 3 379.479 0.960 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)c1ncc(C(=O)[O-])s1 ZINC000566620411 530533019 /nfs/dbraw/zinc/53/30/19/530533019.db2.gz CQQABWUPSPRFPX-SSDOTTSWSA-N -2 3 391.452 0.679 20 0 GCADHL CO[C@H](C)c1nc(=NC(=O)C[N-]S(=O)(=O)c2c(C)noc2C)s[n-]1 ZINC000566769432 530534129 /nfs/dbraw/zinc/53/41/29/530534129.db2.gz CGFPHJFOZAVNJG-MRVPVSSYSA-N -2 3 375.432 0.189 20 0 GCADHL CS(=O)(=O)N1CCC(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CC1 ZINC000568002699 530551094 /nfs/dbraw/zinc/55/10/94/530551094.db2.gz KPMKLCSIZPZSOT-UHFFFAOYSA-N -2 3 392.455 0.504 20 0 GCADHL CC(C)[C@H](C(=O)[O-])N1CC[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1=O ZINC000417444017 530551099 /nfs/dbraw/zinc/55/10/99/530551099.db2.gz BQDKIGRPZPYQDW-WCQYABFASA-N -2 3 376.381 0.953 20 0 GCADHL CC(C)[C@H](C(=O)[O-])N1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1=O ZINC000417444241 530550705 /nfs/dbraw/zinc/55/07/05/530550705.db2.gz CHASJALJFBKWFG-CHWSQXEVSA-N -2 3 376.381 0.953 20 0 GCADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-] ZINC000275011266 530551737 /nfs/dbraw/zinc/55/17/37/530551737.db2.gz BVYKGZXYBPEGPR-QMMMGPOBSA-N -2 3 395.231 0.455 20 0 GCADHL COC(=O)C1([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCC1 ZINC000446920637 530556162 /nfs/dbraw/zinc/55/61/62/530556162.db2.gz BDLXCKHJFTVARW-UHFFFAOYSA-N -2 3 380.419 0.571 20 0 GCADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC000568343526 530558565 /nfs/dbraw/zinc/55/85/65/530558565.db2.gz FAWCQPMCWUXMSH-VIFPVBQESA-N -2 3 398.409 0.514 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCn2ccnn2)c(F)c1 ZINC000649909007 530559459 /nfs/dbraw/zinc/55/94/59/530559459.db2.gz IYPKABXUQLXFQT-UHFFFAOYSA-N -2 3 391.450 0.547 20 0 GCADHL 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GCADHL C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C[C@@H]1C(=O)[O-] ZINC000577866171 530625770 /nfs/dbraw/zinc/62/57/70/530625770.db2.gz ATOONTGYXBSALJ-MNOVXSKESA-N -2 3 375.472 0.779 20 0 GCADHL C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000331532515 530633254 /nfs/dbraw/zinc/63/32/54/530633254.db2.gz PLTOXZJANJXSPJ-YGRLFVJLSA-N -2 3 391.490 0.958 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-] ZINC000520685672 530616613 /nfs/dbraw/zinc/61/66/13/530616613.db2.gz YTAMHNZALTXAAX-NWDGAFQWSA-N -2 3 390.483 0.859 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000532602257 530670438 /nfs/dbraw/zinc/67/04/38/530670438.db2.gz MJXYGSFLUJDWRJ-JTQLQIEISA-N -2 3 376.456 0.507 20 0 GCADHL O=C(c1cncc([O-])c1)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000525897026 530686417 /nfs/dbraw/zinc/68/64/17/530686417.db2.gz BVEUZLRTIRKHBD-UHFFFAOYSA-N -2 3 382.364 0.378 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CCCOC2)n[n-]1 ZINC000349605706 530716995 /nfs/dbraw/zinc/71/69/95/530716995.db2.gz VPYCTCFMTYWHDK-UHFFFAOYSA-N -2 3 399.520 0.058 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000579304681 530741334 /nfs/dbraw/zinc/74/13/34/530741334.db2.gz HHJIUHYLYHDNML-NSHDSACASA-N -2 3 390.483 0.897 20 0 GCADHL Cn1cc(CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cn1 ZINC000477187059 530741440 /nfs/dbraw/zinc/74/14/40/530741440.db2.gz DGFULFKPCSXGBQ-UHFFFAOYSA-N -2 3 376.435 0.452 20 0 GCADHL Cc1cc(C)nc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]Cc2ccno2)n1 ZINC000349618054 530722213 /nfs/dbraw/zinc/72/22/13/530722213.db2.gz PUSNEQAUNVXCHU-UHFFFAOYSA-N -2 3 389.459 0.333 20 0 GCADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[C@H]1OC ZINC000476186091 530730559 /nfs/dbraw/zinc/73/05/59/530730559.db2.gz DCFJTHPQORCZKS-YRGRVCCFSA-N -2 3 396.462 0.668 20 0 GCADHL CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000578513561 530732225 /nfs/dbraw/zinc/73/22/25/530732225.db2.gz XDQTUWDGEQAULA-SECBINFHSA-N -2 3 380.419 0.084 20 0 GCADHL C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1nnn[n-]1 ZINC000478587254 530751252 /nfs/dbraw/zinc/75/12/52/530751252.db2.gz PDTJFJPYJFYNRU-SSDOTTSWSA-N -2 3 378.867 0.455 20 0 GCADHL C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)c1nn[n-]n1 ZINC000478587254 530751254 /nfs/dbraw/zinc/75/12/54/530751254.db2.gz PDTJFJPYJFYNRU-SSDOTTSWSA-N -2 3 378.867 0.455 20 0 GCADHL COC[C@H](NC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000580871312 530751944 /nfs/dbraw/zinc/75/19/44/530751944.db2.gz ODTCKDBKJCOUBI-NSHDSACASA-N -2 3 375.378 0.488 20 0 GCADHL O=C([O-])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000581251646 530755672 /nfs/dbraw/zinc/75/56/72/530755672.db2.gz ZKZNMXVEYZQMPX-VIFPVBQESA-N -2 3 380.344 0.917 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000479195589 530755926 /nfs/dbraw/zinc/75/59/26/530755926.db2.gz WVTQMSCKTFGACL-NSHDSACASA-N -2 3 376.456 0.613 20 0 GCADHL Cc1n[nH]c(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c1[O-] ZINC000669929589 530745754 /nfs/dbraw/zinc/74/57/54/530745754.db2.gz XBIBBMGYWQAMOU-UHFFFAOYSA-N -2 3 376.797 0.925 20 0 GCADHL NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000481456803 530778247 /nfs/dbraw/zinc/77/82/47/530778247.db2.gz ZMESVGZSJHGPHL-UHFFFAOYSA-N -3 3 386.407 0.680 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000486407854 530804364 /nfs/dbraw/zinc/80/43/64/530804364.db2.gz NJXBZRGQFPXPMB-SSDOTTSWSA-N -2 3 388.427 0.429 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCN2CCSCC2)c(F)c1 ZINC000489713853 530824263 /nfs/dbraw/zinc/82/42/63/530824263.db2.gz KIFJTPUOCLUBRW-UHFFFAOYSA-N -2 3 397.519 0.524 20 0 GCADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-] ZINC000656510793 530848210 /nfs/dbraw/zinc/84/82/10/530848210.db2.gz KSXALYWZZVSQBQ-VIFPVBQESA-N -2 3 382.232 0.962 20 0 GCADHL CCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000656509123 530848273 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ZINC000584817702 530924584 /nfs/dbraw/zinc/92/45/84/530924584.db2.gz IUZNEZQECSOPLE-UHFFFAOYSA-N -2 3 388.496 0.982 20 0 GCADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)[O-] ZINC000517233354 530959633 /nfs/dbraw/zinc/95/96/33/530959633.db2.gz YMOZTOBXLYQETL-CYBMUJFWSA-N -2 3 398.528 0.762 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)Nc1ccncc1[O-] ZINC000511993590 530940899 /nfs/dbraw/zinc/94/08/99/530940899.db2.gz QOZBHGYNERNEJD-UHFFFAOYSA-N -2 3 392.256 0.950 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CF)C(=O)[O-])cc1F ZINC000516766304 530955810 /nfs/dbraw/zinc/95/58/10/530955810.db2.gz GPDNWXIBPFOKIU-NSHDSACASA-N -2 3 386.398 0.678 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br)C(N)=O ZINC000230952612 530980778 /nfs/dbraw/zinc/98/07/78/530980778.db2.gz AVWYKIVYRIHDSU-SSDOTTSWSA-N -2 3 385.261 0.997 20 0 GCADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000571878876 530982389 /nfs/dbraw/zinc/98/23/89/530982389.db2.gz UDYKETBCZXBRLK-WYGGZMRJSA-N -2 3 376.456 0.635 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000564178979 530969049 /nfs/dbraw/zinc/96/90/49/530969049.db2.gz VPTPSKDNYAAMST-NXEZZACHSA-N -2 3 398.528 0.617 20 0 GCADHL C[C@H]1CCN(CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000525307490 530994250 /nfs/dbraw/zinc/99/42/50/530994250.db2.gz DBJBTBGHKQVNJO-NSHDSACASA-N -2 3 379.479 0.817 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)s1 ZINC000626744707 531017332 /nfs/dbraw/zinc/01/73/32/531017332.db2.gz DONXYOXMQFJRKP-KOLCDFICSA-N -2 3 375.472 0.908 20 0 GCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000527200095 531021183 /nfs/dbraw/zinc/02/11/83/531021183.db2.gz XOTGWIIALSCOFP-UHFFFAOYSA-N -2 3 388.785 0.974 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(F)c1 ZINC000527200206 531021570 /nfs/dbraw/zinc/02/15/70/531021570.db2.gz IZMIHHBLDWBSTJ-UHFFFAOYSA-N -3 3 392.386 0.967 20 0 GCADHL COc1cccc(OC(F)(F)F)c1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-] ZINC000530135966 531023563 /nfs/dbraw/zinc/02/35/63/531023563.db2.gz CDOYCXYNYYTIPQ-ZCFIWIBFSA-N -2 3 386.304 0.201 20 0 GCADHL CS(=O)(=O)CCS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-] ZINC000530145286 531023663 /nfs/dbraw/zinc/02/36/63/531023663.db2.gz OOJACSHCUFOTBU-UHFFFAOYSA-N -2 3 386.245 0.934 20 0 GCADHL CO[C@]1(C(=O)[O-])CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000530149996 531024297 /nfs/dbraw/zinc/02/42/97/531024297.db2.gz FKTIEFYBTPFAMY-CYBMUJFWSA-N -2 3 396.418 0.061 20 0 GCADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-] ZINC000530339880 531025318 /nfs/dbraw/zinc/02/53/18/531025318.db2.gz CQOWYEILJZYKIA-ONGXEEELSA-N -2 3 381.834 0.868 20 0 GCADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000663072524 531030133 /nfs/dbraw/zinc/03/01/33/531030133.db2.gz QDXTVXPFAVYDHW-GFCCVEGCSA-N -2 3 384.332 0.955 20 0 GCADHL CC(C)C[C@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC(=O)[O-] ZINC000663138797 531030258 /nfs/dbraw/zinc/03/02/58/531030258.db2.gz OHQIGZYKBGMDST-VIFPVBQESA-N -2 3 390.234 0.965 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000263219552 531001205 /nfs/dbraw/zinc/00/12/05/531001205.db2.gz OSTFCABMAGBAEY-NXEZZACHSA-N -2 3 394.446 0.929 20 0 GCADHL O=C([O-])[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000263238027 531001422 /nfs/dbraw/zinc/00/14/22/531001422.db2.gz NIUXXPPEOIDHOF-QMMMGPOBSA-N -2 3 381.863 0.796 20 0 GCADHL CC(C)C(NC(=O)NC(C)(C)C)=C([O-])N=c1[n-]c(CS(C)(=O)=O)no1 ZINC000539361617 531041084 /nfs/dbraw/zinc/04/10/84/531041084.db2.gz DUBDJOWLZHOGLS-JTQLQIEISA-N -2 3 375.451 0.097 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(C)o1 ZINC000540051257 531046131 /nfs/dbraw/zinc/04/61/31/531046131.db2.gz WOZNTTVHGGTUEX-UHFFFAOYSA-N -2 3 389.411 0.101 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)s1 ZINC000541002249 531054023 /nfs/dbraw/zinc/05/40/23/531054023.db2.gz PZRWYOAPINIVNA-UHFFFAOYSA-N -2 3 383.451 0.998 20 0 GCADHL COc1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(OC)cc1Br ZINC000515303558 531088298 /nfs/dbraw/zinc/08/82/98/531088298.db2.gz HNLCFHXTTSBGDB-ZETCQYMHSA-N -2 3 384.204 0.190 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000547865884 531104678 /nfs/dbraw/zinc/10/46/78/531104678.db2.gz ZAEMUQKHWWAKCK-LLVKDONJSA-N -2 3 376.456 0.470 20 0 GCADHL CC[C@H](C)C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000649256417 531095287 /nfs/dbraw/zinc/09/52/87/531095287.db2.gz GOVJVHNRJZGZMV-PTOFAABTSA-N -2 3 375.447 0.964 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCc1nc(C)c(C(=O)[O-])s1 ZINC000547554799 531098546 /nfs/dbraw/zinc/09/85/46/531098546.db2.gz SWMKDRYPYZVPDI-UHFFFAOYSA-N -2 3 391.452 0.914 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](CCC(=O)OC)C(=O)[O-] ZINC000547554700 531098828 /nfs/dbraw/zinc/09/88/28/531098828.db2.gz WKWQQOCCOLBJJA-QMMMGPOBSA-N -2 3 377.371 0.313 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC000547548466 531098830 /nfs/dbraw/zinc/09/88/30/531098830.db2.gz LCTQPVJKEOYTTR-GXFFZTMASA-N -2 3 376.456 0.195 20 0 GCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@@H]1CCOC1 ZINC000547557981 531099395 /nfs/dbraw/zinc/09/93/95/531099395.db2.gz CRDOOIVGXYBNIC-KBUNVGBDSA-N -2 3 376.774 0.543 20 0 GCADHL C[C@@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000547562473 531099492 /nfs/dbraw/zinc/09/94/92/531099492.db2.gz JRPHQSJUKDETQX-VIFPVBQESA-N -2 3 382.435 0.976 20 0 GCADHL COC[C@@H](NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(=O)[O-] ZINC000547885872 531105927 /nfs/dbraw/zinc/10/59/27/531105927.db2.gz XXMFSMOVLONKSX-GFCCVEGCSA-N -2 3 398.434 0.354 20 0 GCADHL CS(=O)(=O)CCCS(=O)(=O)[N-]c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000548196269 531110989 /nfs/dbraw/zinc/11/09/89/531110989.db2.gz CXCWAFRJTQJLBQ-UHFFFAOYSA-N -2 3 392.455 0.068 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000548213938 531111108 /nfs/dbraw/zinc/11/11/08/531111108.db2.gz FFWSQTFUTFMIQC-SECBINFHSA-N -2 3 380.216 0.762 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548208120 531111673 /nfs/dbraw/zinc/11/16/73/531111673.db2.gz WVKGICSLBVIWRN-SECBINFHSA-N -2 3 388.427 0.175 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000548207405 531111698 /nfs/dbraw/zinc/11/16/98/531111698.db2.gz KEUKQHNLUUTFNY-ZETCQYMHSA-N -2 3 395.411 0.228 20 0 GCADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000548237058 531112730 /nfs/dbraw/zinc/11/27/30/531112730.db2.gz BCVUXODRWGBYMC-VIFPVBQESA-N -2 3 389.817 0.222 20 0 GCADHL CC(C)(C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000548264776 531113683 /nfs/dbraw/zinc/11/36/83/531113683.db2.gz QFLDPRPDKYSMMU-UHFFFAOYSA-N -2 3 390.483 0.860 20 0 GCADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548264124 531113711 /nfs/dbraw/zinc/11/37/11/531113711.db2.gz OIPWTCHGMBOPRW-AWEZNQCLSA-N -3 3 377.346 0.456 20 0 GCADHL COC1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCOCC1 ZINC000676563142 531139630 /nfs/dbraw/zinc/13/96/30/531139630.db2.gz KSLRTSKNNRXCRC-UHFFFAOYSA-N -2 3 396.462 0.671 20 0 GCADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000431310628 531115539 /nfs/dbraw/zinc/11/55/39/531115539.db2.gz DMGINHNUMVSUMI-VIFPVBQESA-N -2 3 382.435 0.675 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c1 ZINC000548527278 531117241 /nfs/dbraw/zinc/11/72/41/531117241.db2.gz WGNDQMNPTUOHRO-JTQLQIEISA-N -2 3 379.362 0.125 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000548528791 531117530 /nfs/dbraw/zinc/11/75/30/531117530.db2.gz FHXFNCMYZODENX-LLVKDONJSA-N -2 3 376.456 0.934 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548535081 531117834 /nfs/dbraw/zinc/11/78/34/531117834.db2.gz KYADMQNQXAMZQJ-PRHODGIISA-N -2 3 377.802 0.895 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000548535072 531117965 /nfs/dbraw/zinc/11/79/65/531117965.db2.gz KYADMQNQXAMZQJ-PELKAZGASA-N -2 3 377.802 0.895 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](Cc1ccccn1)C(=O)[O-] ZINC000548533623 531118040 /nfs/dbraw/zinc/11/80/40/531118040.db2.gz LPTCNAIAJKPCRT-VIFPVBQESA-N -2 3 385.423 0.547 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548529939 531118057 /nfs/dbraw/zinc/11/80/57/531118057.db2.gz OFOASTRWERNMSW-NOZJJQNGSA-N -2 3 375.374 0.770 20 0 GCADHL C[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548868832 531123787 /nfs/dbraw/zinc/12/37/87/531123787.db2.gz GPGYQMMSNPDILD-CMPLNLGQSA-N -2 3 388.467 0.611 20 0 GCADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-])C1CC1 ZINC000548993096 531124863 /nfs/dbraw/zinc/12/48/63/531124863.db2.gz XWEIQPMEOCXPGN-RTHLEPHNSA-N -2 3 390.845 0.982 20 0 GCADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000436663134 531146661 /nfs/dbraw/zinc/14/66/61/531146661.db2.gz ILNJMGLQTRCFPS-UHFFFAOYSA-N -2 3 386.407 0.627 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)nc2)ccc1[O-] ZINC000436711712 531146679 /nfs/dbraw/zinc/14/66/79/531146679.db2.gz KJKFLGCLQPGNLQ-UHFFFAOYSA-N -2 3 386.407 0.778 20 0 GCADHL Cn1nncc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000629289295 531161460 /nfs/dbraw/zinc/16/14/60/531161460.db2.gz IRKVVIBFVWPNCD-UHFFFAOYSA-N -2 3 391.450 0.832 20 0 GCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-] ZINC000629292491 531161926 /nfs/dbraw/zinc/16/19/26/531161926.db2.gz NRMDZEVKTBJSFI-QMMMGPOBSA-N -2 3 383.195 0.504 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCC(=O)[O-])C2CC2)cc1F ZINC000681582042 531167402 /nfs/dbraw/zinc/16/74/02/531167402.db2.gz HZOKGMWBTLKMHT-UHFFFAOYSA-N -2 3 380.419 0.825 20 0 GCADHL C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000564918969 531177163 /nfs/dbraw/zinc/17/71/63/531177163.db2.gz OZLMVWHPRBBDIU-LLVKDONJSA-N -2 3 388.467 0.470 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2C3CCC2CC3)n[n-]1 ZINC000565231503 531181909 /nfs/dbraw/zinc/18/19/09/531181909.db2.gz WSEQWWDMMDIFGZ-UHFFFAOYSA-N -2 3 395.532 0.615 20 0 GCADHL O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737900442 598845579 /nfs/dbraw/zinc/84/55/79/598845579.db2.gz JZCJPXIZJLQVAV-UHFFFAOYSA-N -2 3 392.372 0.737 20 0 GCADHL O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737900442 598845583 /nfs/dbraw/zinc/84/55/83/598845583.db2.gz JZCJPXIZJLQVAV-UHFFFAOYSA-N -2 3 392.372 0.737 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nnn[n-]3)cn12 ZINC000737531406 598856259 /nfs/dbraw/zinc/85/62/59/598856259.db2.gz AMIVWOWMACWAAR-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nn[n-]n3)cn12 ZINC000737531406 598856260 /nfs/dbraw/zinc/85/62/60/598856260.db2.gz AMIVWOWMACWAAR-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1COc2ccccc21 ZINC000738140867 598856520 /nfs/dbraw/zinc/85/65/20/598856520.db2.gz YBHBQUPDCQXWIH-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1COc2ccccc21 ZINC000738140867 598856522 /nfs/dbraw/zinc/85/65/22/598856522.db2.gz YBHBQUPDCQXWIH-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000736869143 598856783 /nfs/dbraw/zinc/85/67/83/598856783.db2.gz CACHCMDQVKHUTH-UHFFFAOYSA-N -2 3 398.832 0.241 20 0 GCADHL CNC(=O)C1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000736869143 598856784 /nfs/dbraw/zinc/85/67/84/598856784.db2.gz CACHCMDQVKHUTH-UHFFFAOYSA-N -2 3 398.832 0.241 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736970718 598858664 /nfs/dbraw/zinc/85/86/64/598858664.db2.gz QZJNMETXNPHNNR-JTQLQIEISA-N -2 3 385.471 0.581 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736970718 598858666 /nfs/dbraw/zinc/85/86/66/598858666.db2.gz QZJNMETXNPHNNR-JTQLQIEISA-N -2 3 385.471 0.581 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736972362 598858806 /nfs/dbraw/zinc/85/88/06/598858806.db2.gz XOFZKAYADYZWOT-SMDDNHRTSA-N -2 3 397.457 0.751 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736972362 598858807 /nfs/dbraw/zinc/85/88/07/598858807.db2.gz XOFZKAYADYZWOT-SMDDNHRTSA-N -2 3 397.457 0.751 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000737297575 598974901 /nfs/dbraw/zinc/97/49/01/598974901.db2.gz COQMGRCLWHNOQT-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCc1cnn(C)c1 ZINC000737297575 598974902 /nfs/dbraw/zinc/97/49/02/598974902.db2.gz COQMGRCLWHNOQT-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000737298374 598975016 /nfs/dbraw/zinc/97/50/16/598975016.db2.gz IPHKSBIPHDGQLA-UHFFFAOYSA-N -2 3 380.430 0.142 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)C(C)(C)C ZINC000737298374 598975017 /nfs/dbraw/zinc/97/50/17/598975017.db2.gz IPHKSBIPHDGQLA-UHFFFAOYSA-N -2 3 380.430 0.142 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000737300433 598976687 /nfs/dbraw/zinc/97/66/87/598976687.db2.gz XHXLRMMWNFAUBR-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)s1 ZINC000737300433 598976688 /nfs/dbraw/zinc/97/66/88/598976688.db2.gz XHXLRMMWNFAUBR-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000735819077 599024873 /nfs/dbraw/zinc/02/48/73/599024873.db2.gz RFLRTNYICBJZRB-UHFFFAOYSA-N -2 3 390.429 0.623 20 0 GCADHL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000735819077 599024875 /nfs/dbraw/zinc/02/48/75/599024875.db2.gz RFLRTNYICBJZRB-UHFFFAOYSA-N -2 3 390.429 0.623 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1sccc1-c1nnn[n-]1 ZINC000738139190 599027305 /nfs/dbraw/zinc/02/73/05/599027305.db2.gz MCUBEASRQDMKHO-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1sccc1-c1nn[n-]n1 ZINC000738139190 599027307 /nfs/dbraw/zinc/02/73/07/599027307.db2.gz MCUBEASRQDMKHO-UHFFFAOYSA-N -2 3 390.450 0.961 20 0 GCADHL Cc1cc(C)nc(-n2[n-]c(C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2=O)n1 ZINC000737257656 599117671 /nfs/dbraw/zinc/11/76/71/599117671.db2.gz XTJJNVUAHSWYHY-UHFFFAOYSA-N -2 3 391.395 0.683 20 0 GCADHL Cc1cc(C)nc(-n2[n-]c(C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2=O)n1 ZINC000737257656 599117674 /nfs/dbraw/zinc/11/76/74/599117674.db2.gz XTJJNVUAHSWYHY-UHFFFAOYSA-N -2 3 391.395 0.683 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@@H]1CN(C)CCO1 ZINC000820437667 607259508 /nfs/dbraw/zinc/25/95/08/607259508.db2.gz BBOBIPPBMCICBX-PELKAZGASA-N -2 3 388.400 0.142 20 0 GCADHL CC[C@@H](NC(=O)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(=O)[O-] ZINC000581726166 597222013 /nfs/dbraw/zinc/22/20/13/597222013.db2.gz BVGIMDJCTGVXIK-SNVBAGLBSA-N -2 3 387.414 0.375 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000735737146 598331121 /nfs/dbraw/zinc/33/11/21/598331121.db2.gz ZLWHHCAIUSEONN-CQSZACIVSA-N -2 3 396.473 0.971 20 0 GCADHL CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC000735737146 598331123 /nfs/dbraw/zinc/33/11/23/598331123.db2.gz ZLWHHCAIUSEONN-CQSZACIVSA-N -2 3 396.473 0.971 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736624303 598331608 /nfs/dbraw/zinc/33/16/08/598331608.db2.gz UICKHFOSWSHSKD-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736624303 598331609 /nfs/dbraw/zinc/33/16/09/598331609.db2.gz UICKHFOSWSHSKD-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL Cc1nn2c(S[C@@H](C)C(=O)Nc3ccccc3-c3nnn[n-]3)n[n-]c2nc1=O ZINC000737523689 598379080 /nfs/dbraw/zinc/37/90/80/598379080.db2.gz RKFPRCWHFCPTCA-QMMMGPOBSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1nn2c(S[C@@H](C)C(=O)Nc3ccccc3-c3nn[n-]n3)n[n-]c2nc1=O ZINC000737523689 598379081 /nfs/dbraw/zinc/37/90/81/598379081.db2.gz RKFPRCWHFCPTCA-QMMMGPOBSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1nn2c(SCc3cn4ccccc4c3-c3nnn[n-]3)n[n-]c2nc1=O ZINC000737520841 598379208 /nfs/dbraw/zinc/37/92/08/598379208.db2.gz GAUSQKUIDQRFDM-UHFFFAOYSA-N -2 3 380.397 0.846 20 0 GCADHL Cc1nn2c(SCc3cn4ccccc4c3-c3nn[n-]n3)n[n-]c2nc1=O ZINC000737520841 598379209 /nfs/dbraw/zinc/37/92/09/598379209.db2.gz GAUSQKUIDQRFDM-UHFFFAOYSA-N -2 3 380.397 0.846 20 0 GCADHL CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736305819 598414604 /nfs/dbraw/zinc/41/46/04/598414604.db2.gz WZBVKMNNKONBSF-SSDOTTSWSA-N -2 3 386.821 0.240 20 0 GCADHL CCC(=O)N[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736305819 598414605 /nfs/dbraw/zinc/41/46/05/598414605.db2.gz WZBVKMNNKONBSF-SSDOTTSWSA-N -2 3 386.821 0.240 20 0 GCADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737842509 598417103 /nfs/dbraw/zinc/41/71/03/598417103.db2.gz CSDOQSLPACDVMP-UHFFFAOYSA-N -2 3 398.832 0.338 20 0 GCADHL O=C(CCN1CCCC1=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737842509 598417104 /nfs/dbraw/zinc/41/71/04/598417104.db2.gz CSDOQSLPACDVMP-UHFFFAOYSA-N -2 3 398.832 0.338 20 0 GCADHL Cn1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(-c3nnn[n-]3)c2N)n1 ZINC000737613279 598450770 /nfs/dbraw/zinc/45/07/70/598450770.db2.gz NCTVVMZBDSFRPX-UHFFFAOYSA-N -2 3 386.401 0.169 20 0 GCADHL Cn1ccc(S(=O)(=O)[N-]c2ccccc2-n2ncc(-c3nn[n-]n3)c2N)n1 ZINC000737613279 598450772 /nfs/dbraw/zinc/45/07/72/598450772.db2.gz NCTVVMZBDSFRPX-UHFFFAOYSA-N -2 3 386.401 0.169 20 0 GCADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737065125 598478092 /nfs/dbraw/zinc/47/80/92/598478092.db2.gz BFMDEZJIHXVNOB-UHFFFAOYSA-N -2 3 382.336 0.384 20 0 GCADHL O=C(CSC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737933233 598482385 /nfs/dbraw/zinc/48/23/85/598482385.db2.gz VQWZSTIEXMEINZ-GFCCVEGCSA-N -2 3 397.482 0.974 20 0 GCADHL O=C(CSC[C@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737933233 598482387 /nfs/dbraw/zinc/48/23/87/598482387.db2.gz VQWZSTIEXMEINZ-GFCCVEGCSA-N -2 3 397.482 0.974 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736937558 598516191 /nfs/dbraw/zinc/51/61/91/598516191.db2.gz XKIXNVRBFWKYJV-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736937558 598516193 /nfs/dbraw/zinc/51/61/93/598516193.db2.gz XKIXNVRBFWKYJV-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736934350 598543294 /nfs/dbraw/zinc/54/32/94/598543294.db2.gz ASZKBFXNSRAZQS-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736934350 598543295 /nfs/dbraw/zinc/54/32/95/598543295.db2.gz ASZKBFXNSRAZQS-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738082763 598624667 /nfs/dbraw/zinc/62/46/67/598624667.db2.gz OAESFYWGHIJLKO-UHFFFAOYSA-N -2 3 393.367 0.447 20 0 GCADHL O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000738082763 598624668 /nfs/dbraw/zinc/62/46/68/598624668.db2.gz OAESFYWGHIJLKO-UHFFFAOYSA-N -2 3 393.367 0.447 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735794802 598733328 /nfs/dbraw/zinc/73/33/28/598733328.db2.gz FGXRVCIMRJFAOX-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735794802 598733331 /nfs/dbraw/zinc/73/33/31/598733331.db2.gz FGXRVCIMRJFAOX-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736625817 598739948 /nfs/dbraw/zinc/73/99/48/598739948.db2.gz MTMNQUPXWVFTJS-CQSZACIVSA-N -2 3 397.457 0.753 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736625817 598739949 /nfs/dbraw/zinc/73/99/49/598739949.db2.gz MTMNQUPXWVFTJS-CQSZACIVSA-N -2 3 397.457 0.753 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736625815 598740213 /nfs/dbraw/zinc/74/02/13/598740213.db2.gz MTMNQUPXWVFTJS-AWEZNQCLSA-N -2 3 397.457 0.753 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736625815 598740214 /nfs/dbraw/zinc/74/02/14/598740214.db2.gz MTMNQUPXWVFTJS-AWEZNQCLSA-N -2 3 397.457 0.753 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000737370623 598752157 /nfs/dbraw/zinc/75/21/57/598752157.db2.gz VIKNFJGZMDLVMA-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000737370623 598752158 /nfs/dbraw/zinc/75/21/58/598752158.db2.gz VIKNFJGZMDLVMA-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737761863 598752713 /nfs/dbraw/zinc/75/27/13/598752713.db2.gz UIQZKHOTJORVGF-UHFFFAOYSA-N -2 3 392.422 0.075 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737761863 598752715 /nfs/dbraw/zinc/75/27/15/598752715.db2.gz UIQZKHOTJORVGF-UHFFFAOYSA-N -2 3 392.422 0.075 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)nn1C ZINC000737023922 598785868 /nfs/dbraw/zinc/78/58/68/598785868.db2.gz QGUPLVQBFULEDG-UHFFFAOYSA-N -2 3 377.386 0.036 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)nn1C ZINC000737023922 598785869 /nfs/dbraw/zinc/78/58/69/598785869.db2.gz QGUPLVQBFULEDG-UHFFFAOYSA-N -2 3 377.386 0.036 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000735465006 598798724 /nfs/dbraw/zinc/79/87/24/598798724.db2.gz FPGORLGMWVEILR-LBPRGKRZSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000735465006 598798725 /nfs/dbraw/zinc/79/87/25/598798725.db2.gz FPGORLGMWVEILR-LBPRGKRZSA-N -2 3 392.441 0.071 20 0 GCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000821903171 599625621 /nfs/dbraw/zinc/62/56/21/599625621.db2.gz CGUWIAGRTWSQAM-UHFFFAOYSA-N -2 3 389.393 0.759 20 0 GCADHL COc1ccccc1S(=O)(=O)[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000821903171 599625622 /nfs/dbraw/zinc/62/56/22/599625622.db2.gz CGUWIAGRTWSQAM-UHFFFAOYSA-N -2 3 389.393 0.759 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820525138 599626022 /nfs/dbraw/zinc/62/60/22/599626022.db2.gz CSXZFGJHYXTJKV-ZETCQYMHSA-N -2 3 379.320 0.642 20 0 GCADHL O=C([O-])[C@H](CO)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000739249629 599744993 /nfs/dbraw/zinc/74/49/93/599744993.db2.gz YSXLPFMTWMHMSH-VIFPVBQESA-N -2 3 385.225 0.224 20 0 GCADHL Cc1ccc(S(=O)(=O)NCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000738652458 599768941 /nfs/dbraw/zinc/76/89/41/599768941.db2.gz JDUPFZAHODIUJT-UHFFFAOYSA-N -2 3 388.423 0.543 20 0 GCADHL CCOC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737132535 599786690 /nfs/dbraw/zinc/78/66/90/599786690.db2.gz LHWWPWJIJBSVKD-HNNXBMFYSA-N -2 3 384.454 0.792 20 0 GCADHL O=C([O-])c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1O ZINC000739359421 599950617 /nfs/dbraw/zinc/95/06/17/599950617.db2.gz LCCRNDUPCTXJFR-UHFFFAOYSA-N -2 3 384.142 0.754 20 0 GCADHL C[C@@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736690845 600164556 /nfs/dbraw/zinc/16/45/56/600164556.db2.gz DELRVBAGKMLGKI-LLVKDONJSA-N -2 3 378.381 0.377 20 0 GCADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)C1=O ZINC000737514363 600452748 /nfs/dbraw/zinc/45/27/48/600452748.db2.gz IJAMKLAAMQVITI-SECBINFHSA-N -2 3 395.206 0.795 20 0 GCADHL O=C([O-])Cc1nc([N-]C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)n[nH]1 ZINC000739899368 600533259 /nfs/dbraw/zinc/53/32/59/600533259.db2.gz LQTITTFTWYOOTD-UHFFFAOYSA-N -2 3 382.262 0.679 20 0 GCADHL CN1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1=O ZINC000737508721 600633668 /nfs/dbraw/zinc/63/36/68/600633668.db2.gz JOYDRAMGEJGUKS-LURJTMIESA-N -2 3 395.206 0.795 20 0 GCADHL O=C([O-])c1ccoc1COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1 ZINC000833353525 600688433 /nfs/dbraw/zinc/68/84/33/600688433.db2.gz NVILWOICKGBCIW-UHFFFAOYSA-N -2 3 375.380 0.667 20 0 GCADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1OC ZINC000832235621 600874682 /nfs/dbraw/zinc/87/46/82/600874682.db2.gz MVDNUOFIXDVDRC-MRVPVSSYSA-N -2 3 378.341 0.433 20 0 GCADHL O=C([O-])c1ccsc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000833141351 600876083 /nfs/dbraw/zinc/87/60/83/600876083.db2.gz VGUKGQVWZLYZOF-UHFFFAOYSA-N -2 3 377.378 0.637 20 0 GCADHL CN1CCN(c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)CC1 ZINC000830960401 600981128 /nfs/dbraw/zinc/98/11/28/600981128.db2.gz MJNIDLXPYQQKEL-UHFFFAOYSA-N -2 3 379.442 0.520 20 0 GCADHL CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000830131425 600994186 /nfs/dbraw/zinc/99/41/86/600994186.db2.gz XDBVHZSQLXVYKY-UHFFFAOYSA-N -2 3 386.398 0.271 20 0 GCADHL O=C([O-])[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccc1 ZINC000738483928 601082997 /nfs/dbraw/zinc/08/29/97/601082997.db2.gz WUIJURGZUUYDMB-JTQLQIEISA-N -2 3 396.197 0.696 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C(=O)[O-] ZINC000833028698 601215616 /nfs/dbraw/zinc/21/56/16/601215616.db2.gz NVWNBKVHBQQOSK-MRVPVSSYSA-N -2 3 388.423 0.973 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3C(N)=O)C2)cc1C(=O)[O-] ZINC000833028937 601221974 /nfs/dbraw/zinc/22/19/74/601221974.db2.gz ULFWWPKGEAEKGK-NSHDSACASA-N -2 3 393.421 0.942 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccn(C)n3)C2=O)cc1C(=O)[O-] ZINC000833027607 601223383 /nfs/dbraw/zinc/22/33/83/601223383.db2.gz HSGKIEZAIPMBTK-NSHDSACASA-N -2 3 382.398 0.494 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c1F ZINC000833294463 601230589 /nfs/dbraw/zinc/23/05/89/601230589.db2.gz TVEQBUYWJIBULI-UHFFFAOYSA-N -2 3 384.382 0.023 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000831138718 601230668 /nfs/dbraw/zinc/23/06/68/601230668.db2.gz IWJGWZXWEDZNKK-SSDOTTSWSA-N -2 3 381.309 0.046 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC(=O)NCC(F)(F)F)c1F ZINC000393644020 601231635 /nfs/dbraw/zinc/23/16/35/601231635.db2.gz CYFPVGOVOSENCM-UHFFFAOYSA-N -2 3 376.259 0.620 20 0 GCADHL COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831591748 601267440 /nfs/dbraw/zinc/26/74/40/601267440.db2.gz YUUMGMAGCQUWLH-CQSZACIVSA-N -2 3 381.353 0.910 20 0 GCADHL COC[C@](C)(CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000831554078 601303558 /nfs/dbraw/zinc/30/35/58/601303558.db2.gz VCRFPQIWZOADQF-LBPRGKRZSA-N -2 3 384.863 0.676 20 0 GCADHL CCC(CC)(CC(=O)[O-])NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000828784936 601306881 /nfs/dbraw/zinc/30/68/81/601306881.db2.gz SQOSVDWTCJTZMG-UHFFFAOYSA-N -2 3 376.207 0.861 20 0 GCADHL CC[C@H](C)[C@H](NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000828727485 601357801 /nfs/dbraw/zinc/35/78/01/601357801.db2.gz CVKOEVAWEOVNBC-SDBXPKJASA-N -2 3 390.414 0.268 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2noc(CCCC(=O)[O-])n2)c(C)o1 ZINC000831034324 601358246 /nfs/dbraw/zinc/35/82/46/601358246.db2.gz VLXIFUCHFFENKO-UHFFFAOYSA-N -2 3 387.370 0.643 20 0 GCADHL CC(C)OCCS(=O)(=O)[N-]CC(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000827031317 601372653 /nfs/dbraw/zinc/37/26/53/601372653.db2.gz ZYSSVJATVIMFKB-AWEZNQCLSA-N -2 3 386.426 0.210 20 0 GCADHL Cc1nc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)sc1C(=O)[O-] ZINC000833004105 601378773 /nfs/dbraw/zinc/37/87/73/601378773.db2.gz RKYLGJUCYYMPQT-UHFFFAOYSA-N -2 3 389.187 0.813 20 0 GCADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)C1 ZINC000833108846 601387730 /nfs/dbraw/zinc/38/77/30/601387730.db2.gz UJFYXAWYAISZBH-NXEZZACHSA-N -2 3 388.380 0.987 20 0 GCADHL CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000828718686 601592665 /nfs/dbraw/zinc/59/26/65/601592665.db2.gz NSIZGEFWNAGEIW-CXAGYDPISA-N -2 3 377.441 0.766 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2CC(=O)[O-])ccc1F ZINC000831029457 601689899 /nfs/dbraw/zinc/68/98/99/601689899.db2.gz SFKQNLIXNAQLQH-SNVBAGLBSA-N -2 3 376.431 0.766 20 0 GCADHL COC(=O)c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000831462244 601797786 /nfs/dbraw/zinc/79/77/86/601797786.db2.gz WJHFNKWBFCLHLC-SCZZXKLOSA-N -2 3 390.439 0.280 20 0 GCADHL COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C1=O ZINC000831462245 601797909 /nfs/dbraw/zinc/79/79/09/601797909.db2.gz WJHFNKWBFCLHLC-WCBMZHEXSA-N -2 3 390.439 0.280 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826303982 607534531 /nfs/dbraw/zinc/53/45/31/607534531.db2.gz PRVAYMVCISASBU-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826303982 607534533 /nfs/dbraw/zinc/53/45/33/607534533.db2.gz PRVAYMVCISASBU-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1-c1nnn[n-]1 ZINC000826304026 607535119 /nfs/dbraw/zinc/53/51/19/607535119.db2.gz RSWMVWHMZOJADG-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1-c1nn[n-]n1 ZINC000826304026 607535120 /nfs/dbraw/zinc/53/51/20/607535120.db2.gz RSWMVWHMZOJADG-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1-c1nnn[n-]1 ZINC000826304122 607536728 /nfs/dbraw/zinc/53/67/28/607536728.db2.gz XELVMLMJHSCZAD-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(CC(=O)N(C)C)c2)c1-c1nn[n-]n1 ZINC000826304122 607536730 /nfs/dbraw/zinc/53/67/30/607536730.db2.gz XELVMLMJHSCZAD-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1=O ZINC000830934235 602162386 /nfs/dbraw/zinc/16/23/86/602162386.db2.gz BFWSEAXKVXPQDP-ZCFIWIBFSA-N -2 3 381.204 0.639 20 0 GCADHL C[C@@H](CC(=O)N1CC[C@](F)(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827225914 602190818 /nfs/dbraw/zinc/19/08/18/602190818.db2.gz GBNMAQXSBLBOJL-LKFCYVNXSA-N -2 3 393.824 0.817 20 0 GCADHL C[C@H](CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827225917 602190989 /nfs/dbraw/zinc/19/09/89/602190989.db2.gz GBNMAQXSBLBOJL-OTYXRUKQSA-N -2 3 393.824 0.817 20 0 GCADHL COC[C@@](C)(NC(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000831602844 602196223 /nfs/dbraw/zinc/19/62/23/602196223.db2.gz RIMFVUHMNVIJJX-LKFCYVNXSA-N -2 3 393.849 0.398 20 0 GCADHL O=S(=O)([N-]C[C@H](O)COCC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488903 607631436 /nfs/dbraw/zinc/63/14/36/607631436.db2.gz CDYPJMINHFCKST-JTQLQIEISA-N -2 3 389.384 0.211 20 0 GCADHL COCC[C@@](C)(O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826153412 607636010 /nfs/dbraw/zinc/63/60/10/607636010.db2.gz MSVUNVVOGULDOC-CYBMUJFWSA-N -2 3 377.373 0.211 20 0 GCADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(CCOC)c1 ZINC000825480675 607662950 /nfs/dbraw/zinc/66/29/50/607662950.db2.gz FZZNIVUCMVYVLA-UHFFFAOYSA-N -2 3 392.445 0.942 20 0 GCADHL COC(=O)N1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000831198814 604413092 /nfs/dbraw/zinc/41/30/92/604413092.db2.gz QZOPUGJGPRWBII-UHFFFAOYSA-N -2 3 383.176 0.469 20 0 GCADHL C[C@@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827810517 604432808 /nfs/dbraw/zinc/43/28/08/604432808.db2.gz NVFFMSJSTHUEII-ZYHUDNBSSA-N -2 3 392.474 0.205 20 0 GCADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000829956006 604735774 /nfs/dbraw/zinc/73/57/74/604735774.db2.gz WECZDIDZRMOACG-QMMMGPOBSA-N -2 3 384.863 0.628 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)ccc1F ZINC000833504353 604752652 /nfs/dbraw/zinc/75/26/52/604752652.db2.gz HFZKNXXPWRMPIV-UHFFFAOYSA-N -2 3 388.417 0.564 20 0 GCADHL C[C@H](OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1)c1cn(CC(=O)[O-])nn1 ZINC000833531976 604788733 /nfs/dbraw/zinc/78/87/33/604788733.db2.gz MERJXCHVNRSCBB-QMMMGPOBSA-N -2 3 386.361 0.791 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1F ZINC000829901236 604811127 /nfs/dbraw/zinc/81/11/27/604811127.db2.gz VAHDYXGYKYLRLD-LBPRGKRZSA-N -2 3 384.382 0.385 20 0 GCADHL C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828479985 604811217 /nfs/dbraw/zinc/81/12/17/604811217.db2.gz ZGCKZFFWKVOCEO-WPRPVWTQSA-N -2 3 380.419 0.538 20 0 GCADHL O=C([O-])Cn1cc(CCOC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])nn1 ZINC000833272076 604836479 /nfs/dbraw/zinc/83/64/79/604836479.db2.gz LYFJDCLCQCZXLV-AWEZNQCLSA-N -2 3 388.380 0.459 20 0 GCADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000833423949 605003855 /nfs/dbraw/zinc/00/38/55/605003855.db2.gz FBASUZLPWHHJJX-VIFPVBQESA-N -2 3 395.401 0.947 20 0 GCADHL C[C@@H]1CN(c2ccc(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])cn2)CCO1 ZINC000833634538 605018079 /nfs/dbraw/zinc/01/80/79/605018079.db2.gz IFWJUPNAAOATHA-SNVBAGLBSA-N -2 3 398.466 0.940 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H](O)C2CCOCC2)c(Br)o1 ZINC000833780412 605037141 /nfs/dbraw/zinc/03/71/41/605037141.db2.gz RTJBMYNBYYUAEH-QMMMGPOBSA-N -2 3 398.231 0.806 20 0 GCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833598523 605041094 /nfs/dbraw/zinc/04/10/94/605041094.db2.gz QIYJPOIVDJSDJN-CBAPKCEASA-N -2 3 385.427 0.047 20 0 GCADHL CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833648735 605176983 /nfs/dbraw/zinc/17/69/83/605176983.db2.gz KXYWTXXZSYRXML-NWDGAFQWSA-N -2 3 386.474 0.978 20 0 GCADHL CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1=O ZINC000833658503 605188237 /nfs/dbraw/zinc/18/82/37/605188237.db2.gz FAZWIBRYXQFGTI-UHFFFAOYSA-N -2 3 387.395 0.367 20 0 GCADHL CCOC(=O)Cn1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1=O ZINC000833659094 605189890 /nfs/dbraw/zinc/18/98/90/605189890.db2.gz RPTXTFXTYRDQDB-UHFFFAOYSA-N -2 3 384.366 0.812 20 0 GCADHL C[C@@]1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCC[C@@H]1C(=O)[O-] ZINC000833570296 605274344 /nfs/dbraw/zinc/27/43/44/605274344.db2.gz WCTWYPQHXFNBLJ-XLKFXECMSA-N -2 3 388.218 0.861 20 0 GCADHL CCOC(=O)Nc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1-c1nnn[n-]1 ZINC000825540237 607766740 /nfs/dbraw/zinc/76/67/40/607766740.db2.gz WHVIAZQNCGGCDA-UHFFFAOYSA-N -2 3 388.348 0.581 20 0 GCADHL CCOC(=O)Nc1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1-c1nn[n-]n1 ZINC000825540237 607766741 /nfs/dbraw/zinc/76/67/41/607766741.db2.gz WHVIAZQNCGGCDA-UHFFFAOYSA-N -2 3 388.348 0.581 20 0 GCADHL O=C([O-])N1CCC[C@H](NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000739309761 605711762 /nfs/dbraw/zinc/71/17/62/605711762.db2.gz RLQPLDHDCPDMDW-QMMMGPOBSA-N -2 3 381.863 0.938 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000819789457 606133331 /nfs/dbraw/zinc/13/33/31/606133331.db2.gz OYBCTWZVNASMRQ-MRXNPFEDSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000819789457 606133332 /nfs/dbraw/zinc/13/33/32/606133332.db2.gz OYBCTWZVNASMRQ-MRXNPFEDSA-N -2 3 392.441 0.071 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000819866408 606176399 /nfs/dbraw/zinc/17/63/99/606176399.db2.gz MKXXMXNCWXKOAI-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000819866408 606176402 /nfs/dbraw/zinc/17/64/02/606176402.db2.gz MKXXMXNCWXKOAI-JTQLQIEISA-N -2 3 375.414 0.350 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000819866139 606176542 /nfs/dbraw/zinc/17/65/42/606176542.db2.gz JQTWNALJEUNVEK-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000819866139 606176544 /nfs/dbraw/zinc/17/65/44/606176544.db2.gz JQTWNALJEUNVEK-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cnn(C)c1 ZINC000819867116 606178124 /nfs/dbraw/zinc/17/81/24/606178124.db2.gz RPLJCMGFRACBOP-MRVPVSSYSA-N -2 3 395.832 0.862 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cnn(C)c1 ZINC000819867116 606178125 /nfs/dbraw/zinc/17/81/25/606178125.db2.gz RPLJCMGFRACBOP-MRVPVSSYSA-N -2 3 395.832 0.862 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1F ZINC000821668128 606180829 /nfs/dbraw/zinc/18/08/29/606180829.db2.gz QFKWUTDMPKYSJE-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000822713958 606212255 /nfs/dbraw/zinc/21/22/55/606212255.db2.gz CWHPIGUYBRSENK-UHFFFAOYSA-N -2 3 399.396 0.564 20 0 GCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821614313 606405766 /nfs/dbraw/zinc/40/57/66/606405766.db2.gz ADSOISIROKGAGK-UHFFFAOYSA-N -2 3 375.414 0.312 20 0 GCADHL CN(Cc1ccccc1)S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821614313 606405767 /nfs/dbraw/zinc/40/57/67/606405767.db2.gz ADSOISIROKGAGK-UHFFFAOYSA-N -2 3 375.414 0.312 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821566515 606437304 /nfs/dbraw/zinc/43/73/04/606437304.db2.gz IAUDIQMIVUDWGV-JTQLQIEISA-N -2 3 391.413 0.356 20 0 GCADHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ccccc2)n1 ZINC000822453896 606601093 /nfs/dbraw/zinc/60/10/93/606601093.db2.gz PXGQQHSWXIMQRF-UHFFFAOYSA-N -2 3 382.409 0.979 20 0 GCADHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ccccc2)n1 ZINC000822453896 606601094 /nfs/dbraw/zinc/60/10/94/606601094.db2.gz PXGQQHSWXIMQRF-UHFFFAOYSA-N -2 3 382.409 0.979 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822968836 606613144 /nfs/dbraw/zinc/61/31/44/606613144.db2.gz BGYDSCOCZCCVSD-UHFFFAOYSA-N -2 3 381.414 0.257 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822968836 606613145 /nfs/dbraw/zinc/61/31/45/606613145.db2.gz BGYDSCOCZCCVSD-UHFFFAOYSA-N -2 3 381.414 0.257 20 0 GCADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1)c1cocn1 ZINC000823284060 606654657 /nfs/dbraw/zinc/65/46/57/606654657.db2.gz AZOBYWZJYRBLLU-UHFFFAOYSA-N -2 3 399.186 0.736 20 0 GCADHL O=C([N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)c1cocn1 ZINC000823284060 606654658 /nfs/dbraw/zinc/65/46/58/606654658.db2.gz AZOBYWZJYRBLLU-UHFFFAOYSA-N -2 3 399.186 0.736 20 0 GCADHL CN(C)C(=O)Cn1cnc([N-]C(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821578035 606682434 /nfs/dbraw/zinc/68/24/34/606682434.db2.gz KHZHMLDKNUSOSR-UHFFFAOYSA-N -2 3 377.315 0.077 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822685424 606709982 /nfs/dbraw/zinc/70/99/82/606709982.db2.gz ZKFYZELPHXUEPX-UHFFFAOYSA-N -3 3 394.417 0.656 20 0 GCADHL COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821835712 606710653 /nfs/dbraw/zinc/71/06/53/606710653.db2.gz PZOZEOAIWXOAMU-UHFFFAOYSA-N -2 3 392.401 0.368 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 ZINC000822623398 606711479 /nfs/dbraw/zinc/71/14/79/606711479.db2.gz VOCJXIUKBOBSKR-UHFFFAOYSA-N -2 3 388.413 0.293 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821175753 606745958 /nfs/dbraw/zinc/74/59/58/606745958.db2.gz UZIZLVPJONZUKL-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821175753 606745961 /nfs/dbraw/zinc/74/59/61/606745961.db2.gz UZIZLVPJONZUKL-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1N(C)C ZINC000822267457 606825679 /nfs/dbraw/zinc/82/56/79/606825679.db2.gz ULSKEBDRMJLNOU-UHFFFAOYSA-N -2 3 389.441 0.698 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1N(C)C ZINC000822267457 606825681 /nfs/dbraw/zinc/82/56/81/606825681.db2.gz ULSKEBDRMJLNOU-UHFFFAOYSA-N -2 3 389.441 0.698 20 0 GCADHL Cc1nc([N-]S(=O)(=O)c2cccnc2)n(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822454632 606825764 /nfs/dbraw/zinc/82/57/64/606825764.db2.gz ZXUNYNCOHIZZET-UHFFFAOYSA-N -2 3 383.397 0.374 20 0 GCADHL COCCOC[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821692469 606894300 /nfs/dbraw/zinc/89/43/00/606894300.db2.gz YKCMJNWSHXUVAE-QMMMGPOBSA-N -2 3 377.373 0.475 20 0 GCADHL C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820286258 606895220 /nfs/dbraw/zinc/89/52/20/606895220.db2.gz ACIAVJZDVWWDRK-SCZZXKLOSA-N -2 3 389.384 0.617 20 0 GCADHL COC(=O)CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC1 ZINC000821659273 606895468 /nfs/dbraw/zinc/89/54/68/606895468.db2.gz XUTPGORYOCUKMZ-UHFFFAOYSA-N -2 3 387.368 0.909 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821659093 606895837 /nfs/dbraw/zinc/89/58/37/606895837.db2.gz QZBVNVVPXRQWQK-NSHDSACASA-N -2 3 387.368 0.765 20 0 GCADHL CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821571954 606963054 /nfs/dbraw/zinc/96/30/54/606963054.db2.gz MHQVLTCWMRNFRC-UHFFFAOYSA-N -2 3 385.775 0.568 20 0 GCADHL CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821571954 606963058 /nfs/dbraw/zinc/96/30/58/606963058.db2.gz MHQVLTCWMRNFRC-UHFFFAOYSA-N -2 3 385.775 0.568 20 0 GCADHL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)ccc21 ZINC000822595614 607025669 /nfs/dbraw/zinc/02/56/69/607025669.db2.gz AQQAPKIJTLVRKU-UHFFFAOYSA-N -2 3 379.383 0.569 20 0 GCADHL Cn1nnnc1-c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000822714591 607025719 /nfs/dbraw/zinc/02/57/19/607025719.db2.gz QDMCQDDYYVSRRS-UHFFFAOYSA-N -2 3 390.414 0.315 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1cccnc1 ZINC000820000952 607077616 /nfs/dbraw/zinc/07/76/16/607077616.db2.gz AIWZGTNXMNNAIJ-UHFFFAOYSA-N -2 3 388.409 0.924 20 0 GCADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821446696 607152761 /nfs/dbraw/zinc/15/27/61/607152761.db2.gz CQLPEFROTLSWAZ-UHFFFAOYSA-N -2 3 394.438 0.856 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)n1 ZINC000822623217 607172402 /nfs/dbraw/zinc/17/24/02/607172402.db2.gz RRYRRVALWYAJTJ-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825523154 607776356 /nfs/dbraw/zinc/77/63/56/607776356.db2.gz NHZOWIOCGUFYGK-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825523154 607776357 /nfs/dbraw/zinc/77/63/57/607776357.db2.gz NHZOWIOCGUFYGK-UHFFFAOYSA-N -2 3 396.429 0.339 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826232727 607792209 /nfs/dbraw/zinc/79/22/09/607792209.db2.gz GDUHDBAAHWERIK-LLVKDONJSA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000826232727 607792210 /nfs/dbraw/zinc/79/22/10/607792210.db2.gz GDUHDBAAHWERIK-LLVKDONJSA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826232727 607792211 /nfs/dbraw/zinc/79/22/11/607792211.db2.gz GDUHDBAAHWERIK-LLVKDONJSA-N -2 3 398.431 0.436 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000826232727 607792212 /nfs/dbraw/zinc/79/22/12/607792212.db2.gz GDUHDBAAHWERIK-LLVKDONJSA-N -2 3 398.431 0.436 20 0 GCADHL CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826068841 607907858 /nfs/dbraw/zinc/90/78/58/607907858.db2.gz ZIMIPWDYJVFZSQ-NSHDSACASA-N -2 3 388.400 0.584 20 0 GCADHL COCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000826165519 607985335 /nfs/dbraw/zinc/98/53/35/607985335.db2.gz YQIXTRDTGZQHKX-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL COCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000826165519 607985336 /nfs/dbraw/zinc/98/53/36/607985336.db2.gz YQIXTRDTGZQHKX-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824053259 608011148 /nfs/dbraw/zinc/01/11/48/608011148.db2.gz XBHGQUXHCOOLGH-LURJTMIESA-N -2 3 390.219 0.723 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824053259 608011149 /nfs/dbraw/zinc/01/11/49/608011149.db2.gz XBHGQUXHCOOLGH-LURJTMIESA-N -2 3 390.219 0.723 20 0 GCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826461427 608012061 /nfs/dbraw/zinc/01/20/61/608012061.db2.gz UMIDTXNLFSUMCE-OAHLLOKOSA-N -2 3 387.421 0.982 20 0 GCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826461427 608012062 /nfs/dbraw/zinc/01/20/62/608012062.db2.gz UMIDTXNLFSUMCE-OAHLLOKOSA-N -2 3 387.421 0.982 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824737646 608075869 /nfs/dbraw/zinc/07/58/69/608075869.db2.gz JQVCSVCLWFLCPO-WDEREUQCSA-N -2 3 381.414 0.117 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000826358950 608141485 /nfs/dbraw/zinc/14/14/85/608141485.db2.gz OWJRPHFKSWDCKR-UHFFFAOYSA-N -2 3 389.441 0.524 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000826358950 608141486 /nfs/dbraw/zinc/14/14/86/608141486.db2.gz OWJRPHFKSWDCKR-UHFFFAOYSA-N -2 3 389.441 0.524 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2nsnc2c1 ZINC000826450306 608141787 /nfs/dbraw/zinc/14/17/87/608141787.db2.gz GDLNQGPUEHIANK-UHFFFAOYSA-N -2 3 387.406 0.990 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2nsnc2c1 ZINC000826450306 608141788 /nfs/dbraw/zinc/14/17/88/608141788.db2.gz GDLNQGPUEHIANK-UHFFFAOYSA-N -2 3 387.406 0.990 20 0 GCADHL CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000825242245 608306399 /nfs/dbraw/zinc/30/63/99/608306399.db2.gz MAZGKGOSTDLDDX-JTQLQIEISA-N -2 3 375.357 0.765 20 0 GCADHL COc1ccc(CNC(C)=O)cc1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826202195 608307107 /nfs/dbraw/zinc/30/71/07/608307107.db2.gz RABFCDNWXAXISK-UHFFFAOYSA-N -2 3 392.401 0.035 20 0 GCADHL COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826104232 608342854 /nfs/dbraw/zinc/34/28/54/608342854.db2.gz SEQAFSJDQVTEIY-JTQLQIEISA-N -2 3 393.347 0.622 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1C(=O)[O-] ZINC000826366267 608396426 /nfs/dbraw/zinc/39/64/26/608396426.db2.gz ZZCCMBBMRMQHLL-UHFFFAOYSA-N -3 3 385.312 0.377 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1C(=O)[O-] ZINC000826366267 608396427 /nfs/dbraw/zinc/39/64/27/608396427.db2.gz ZZCCMBBMRMQHLL-UHFFFAOYSA-N -3 3 385.312 0.377 20 0 GCADHL NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC000826393703 608416127 /nfs/dbraw/zinc/41/61/27/608416127.db2.gz FRTMKQPTXYZKTP-UHFFFAOYSA-N -2 3 384.381 0.643 20 0 GCADHL COC(=O)C1CCC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826129431 608473082 /nfs/dbraw/zinc/47/30/82/608473082.db2.gz RVNGWYBPGGXWDF-UHFFFAOYSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)C1CCC(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826129431 608473083 /nfs/dbraw/zinc/47/30/83/608473083.db2.gz RVNGWYBPGGXWDF-UHFFFAOYSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826129383 608473544 /nfs/dbraw/zinc/47/35/44/608473544.db2.gz QBQNPLBEIPFORP-UHFFFAOYSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)C1CCC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826129383 608473545 /nfs/dbraw/zinc/47/35/45/608473545.db2.gz QBQNPLBEIPFORP-UHFFFAOYSA-N -2 3 393.425 0.651 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccnc1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450663 609255467 /nfs/dbraw/zinc/25/54/67/609255467.db2.gz XWDJGEOEEQVKFI-HNNXBMFYSA-N -2 3 399.436 0.736 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824171538 609364792 /nfs/dbraw/zinc/36/47/92/609364792.db2.gz BISOMYMUXWCCAM-CYBMUJFWSA-N -2 3 395.441 0.649 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824171539 609365398 /nfs/dbraw/zinc/36/53/98/609365398.db2.gz BISOMYMUXWCCAM-ZDUSSCGKSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824738844 609365770 /nfs/dbraw/zinc/36/57/70/609365770.db2.gz RULSGQLZMMDRIV-GXFFZTMASA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824738846 609365774 /nfs/dbraw/zinc/36/57/74/609365774.db2.gz RULSGQLZMMDRIV-ZWNOBZJWSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000824280016 609398768 /nfs/dbraw/zinc/39/87/68/609398768.db2.gz BBWXZQDVDASUDH-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000824280016 609398770 /nfs/dbraw/zinc/39/87/70/609398770.db2.gz BBWXZQDVDASUDH-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824281099 609402212 /nfs/dbraw/zinc/40/22/12/609402212.db2.gz ZCDAOTDGVATXOP-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824281099 609402214 /nfs/dbraw/zinc/40/22/14/609402214.db2.gz ZCDAOTDGVATXOP-UHFFFAOYSA-N -2 3 389.441 0.979 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cn1 ZINC000825643080 609405533 /nfs/dbraw/zinc/40/55/33/609405533.db2.gz HZHMTRHDZYRVOH-UHFFFAOYSA-N -2 3 380.411 0.841 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cn1 ZINC000825643080 609405535 /nfs/dbraw/zinc/40/55/35/609405535.db2.gz HZHMTRHDZYRVOH-UHFFFAOYSA-N -2 3 380.411 0.841 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000825559824 609448657 /nfs/dbraw/zinc/44/86/57/609448657.db2.gz JYZLCSSXVLUMGY-UHFFFAOYSA-N -2 3 381.349 0.706 20 0 GCADHL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826392295 609526879 /nfs/dbraw/zinc/52/68/79/609526879.db2.gz SXQXGNYSSRLJOJ-UHFFFAOYSA-N -2 3 382.793 0.003 20 0 GCADHL NC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826392295 609526881 /nfs/dbraw/zinc/52/68/81/609526881.db2.gz SXQXGNYSSRLJOJ-UHFFFAOYSA-N -2 3 382.793 0.003 20 0 GCADHL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826391760 609526937 /nfs/dbraw/zinc/52/69/37/609526937.db2.gz ARSWGEOSOSXSOO-UHFFFAOYSA-N -2 3 382.793 0.003 20 0 GCADHL NC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826391760 609526938 /nfs/dbraw/zinc/52/69/38/609526938.db2.gz ARSWGEOSOSXSOO-UHFFFAOYSA-N -2 3 382.793 0.003 20 0 GCADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000055617707 638577504 /nfs/dbraw/zinc/57/75/04/638577504.db2.gz AVZLIWHHYAOPOM-LBPRGKRZSA-N -2 3 389.499 0.827 20 0 GCADHL Cc1cc(C)c(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1 ZINC000057124920 638617632 /nfs/dbraw/zinc/61/76/32/638617632.db2.gz QUEWMHFSRRWHDA-GFCCVEGCSA-N -2 3 375.472 0.291 20 0 GCADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000057124936 639593051 /nfs/dbraw/zinc/59/30/51/639593051.db2.gz QNXHOMRFAXAUFX-GFCCVEGCSA-N -2 3 389.499 0.664 20 0 GCADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000057124937 639593722 /nfs/dbraw/zinc/59/37/22/639593722.db2.gz QNXHOMRFAXAUFX-LBPRGKRZSA-N -2 3 389.499 0.664 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000046315482 639624429 /nfs/dbraw/zinc/62/44/29/639624429.db2.gz VPTZXKIWJROHLU-SECBINFHSA-N -2 3 383.407 0.986 20 0 GCADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000062930902 639637032 /nfs/dbraw/zinc/63/70/32/639637032.db2.gz UCBLTGIXCGRKMD-UHFFFAOYSA-N -2 3 376.460 0.028 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)NC(C)(C)CC(=O)[O-])nc1Cl ZINC000772196572 640839460 /nfs/dbraw/zinc/83/94/60/640839460.db2.gz ASGDANDTPPFRJY-UHFFFAOYSA-N -2 3 394.881 0.890 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cn1 ZINC000772756439 640849325 /nfs/dbraw/zinc/84/93/25/640849325.db2.gz FGKFITUBHSCHPT-UHFFFAOYSA-N -2 3 376.391 0.049 20 0 GCADHL Cn1cc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ncccc23)C(=O)[O-])nc1Cl ZINC000776450167 641096625 /nfs/dbraw/zinc/09/66/25/641096625.db2.gz BTJOPZKOTXQSHK-SNVBAGLBSA-N -2 3 383.817 0.924 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1F ZINC000776503679 641098505 /nfs/dbraw/zinc/09/85/05/641098505.db2.gz QOXCBGBWFDNNBP-JMCQJSRRSA-N -2 3 379.337 0.519 20 0 GCADHL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776642758 641108987 /nfs/dbraw/zinc/10/89/87/641108987.db2.gz JXHXCVKPTZQRHM-JTQLQIEISA-N -2 3 384.241 0.452 20 0 GCADHL CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000863956750 641254031 /nfs/dbraw/zinc/25/40/31/641254031.db2.gz SQPBVQOWKWKDCH-UHFFFAOYSA-N -3 3 382.391 0.113 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CO1 ZINC000784523900 641288948 /nfs/dbraw/zinc/28/89/48/641288948.db2.gz BWUOCAKNCAOAEC-IUCAKERBSA-N -2 3 380.419 0.427 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CO1 ZINC000784523897 641289032 /nfs/dbraw/zinc/28/90/32/641289032.db2.gz BWUOCAKNCAOAEC-BDAKNGLRSA-N -2 3 380.419 0.427 20 0 GCADHL CC[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)O1 ZINC000784898757 641297797 /nfs/dbraw/zinc/29/77/97/641297797.db2.gz OFDVVBSNPHKWQH-ZANVPECISA-N -2 3 394.446 0.960 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCO1 ZINC000784898111 641298170 /nfs/dbraw/zinc/29/81/70/641298170.db2.gz VPSPXZMOFJCBET-UWVGGRQHSA-N -2 3 394.446 0.817 20 0 GCADHL CC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000787934630 641359028 /nfs/dbraw/zinc/35/90/28/641359028.db2.gz JOSPHLOYIMGDHP-ZCFIWIBFSA-N -2 3 389.860 0.516 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-] ZINC000788445511 641369111 /nfs/dbraw/zinc/36/91/11/641369111.db2.gz GETOAVYUPUKUCQ-SSDOTTSWSA-N -3 3 394.789 0.508 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000794757997 641496949 /nfs/dbraw/zinc/49/69/49/641496949.db2.gz UDGVNUWSECOOSU-SNVBAGLBSA-N -3 3 377.346 0.599 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000794762988 641496978 /nfs/dbraw/zinc/49/69/78/641496978.db2.gz TZZMUJFZYSMKME-ZWNOBZJWSA-N -2 3 375.374 0.770 20 0 GCADHL CO[C@](C)(C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000813078535 641779953 /nfs/dbraw/zinc/77/99/53/641779953.db2.gz MIOPCYCSXXRWLD-AWEZNQCLSA-N -2 3 394.446 0.817 20 0 GCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)o1 ZINC000815988171 641838735 /nfs/dbraw/zinc/83/87/35/641838735.db2.gz BXIVIXUOZGNHTK-UHFFFAOYSA-N -2 3 391.402 0.921 20 0 GCADHL C[C@](C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)(CC(=O)[O-])C(=O)[O-] ZINC000837287091 642268514 /nfs/dbraw/zinc/26/85/14/642268514.db2.gz AJEHHGQLFSXYRP-GFCCVEGCSA-N -3 3 377.762 0.720 20 0 GCADHL Cn1cnc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1 ZINC000843288551 642365900 /nfs/dbraw/zinc/36/59/00/642365900.db2.gz UACPQAYQSPJKTG-UHFFFAOYSA-N -2 3 393.219 0.780 20 0 GCADHL CS(=O)(=O)N1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000844896332 642419395 /nfs/dbraw/zinc/41/93/95/642419395.db2.gz FHSXQKOCZCOBGF-MRVPVSSYSA-N -2 3 398.409 0.223 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000848675505 642549346 /nfs/dbraw/zinc/54/93/46/642549346.db2.gz CTWJXIYIODOVRM-SECBINFHSA-N -3 3 377.346 0.517 20 0 GCADHL Cn1ncc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000389815958 677370963 /nfs/dbraw/zinc/37/09/63/677370963.db2.gz PIMLLURWKOOFDA-UHFFFAOYSA-N -2 3 375.204 0.754 20 0 GCADHL Cc1cc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000279313719 1192518752 /nfs/dbraw/zinc/51/87/52/1192518752.db2.gz NSHQMFOSTXKBRC-TXEJJXNPSA-N -2 3 375.429 0.926 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000262529550 1192695585 /nfs/dbraw/zinc/69/55/85/1192695585.db2.gz OQCQOYNGQRGPEZ-KOLCDFICSA-N -2 3 391.471 0.377 20 0 GCADHL Cc1cc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000275411952 1184657310 /nfs/dbraw/zinc/65/73/10/1184657310.db2.gz GZEHKTQWNCTIJF-NSHDSACASA-N -2 3 375.429 0.662 20 0 GCADHL COc1cnccc1Nc1ncnc2c1ncn2C[C@@H](C)OCP(=O)([O-])[O-] ZINC001211259792 1185304601 /nfs/dbraw/zinc/30/46/01/1185304601.db2.gz HNRKSFNWFQALDV-SNVBAGLBSA-N -2 3 394.328 0.936 20 0 GCADHL CO[C@@H](CS(=O)(=O)[N-]c1cc2c(cc1[O-])n(C)c(=O)n2C)[C@@H]1CCOC1 ZINC000656632624 1185749841 /nfs/dbraw/zinc/74/98/41/1185749841.db2.gz YLVUDQGGFFFTQC-BMIGLBTASA-N -2 3 385.442 0.376 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548225455 1185897432 /nfs/dbraw/zinc/89/74/32/1185897432.db2.gz MSJNIBVFPOXXJR-NSHDSACASA-N -2 3 399.400 0.568 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C(=O)OC)c[n-]c2C(=O)OC)o1 ZINC000430983454 1186095700 /nfs/dbraw/zinc/09/57/00/1186095700.db2.gz FBVONYBIZMYKHG-UHFFFAOYSA-N -2 3 386.338 0.768 20 0 GCADHL CCC[C@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1)c1nn[n-]n1 ZINC000610714110 1186138212 /nfs/dbraw/zinc/13/82/12/1186138212.db2.gz YDGIYACDVLIPRE-AWEZNQCLSA-N -2 3 399.411 0.665 20 0 GCADHL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000548535277 1186304840 /nfs/dbraw/zinc/30/48/40/1186304840.db2.gz YMZRXEJVBYPTBU-ZDUSSCGKSA-N -2 3 397.478 0.874 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2nnc(CC(=O)OC)[n-]2)c1 ZINC000414454159 1194227402 /nfs/dbraw/zinc/22/74/02/1194227402.db2.gz NXCLSZHKNPPNRJ-UHFFFAOYSA-N -2 3 386.361 0.637 20 0 GCADHL COC(=O)[C@H](CNC(=O)c1cnc([O-])n(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422046418 1194379542 /nfs/dbraw/zinc/37/95/42/1194379542.db2.gz SVVKJJBQKNCAFC-JTQLQIEISA-N -2 3 379.344 0.092 20 0 GCADHL CCCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cnc(NC(C)=O)s3)nc2n1 ZINC000514829345 1194916206 /nfs/dbraw/zinc/91/62/06/1194916206.db2.gz AGTFLLDOPKWFDZ-UHFFFAOYSA-N -2 3 397.442 0.586 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)c1ccc([O-])cc1 ZINC000436634864 1195020130 /nfs/dbraw/zinc/02/01/30/1195020130.db2.gz NBRZAQYFUJRELJ-UHFFFAOYSA-N -2 3 384.360 0.948 20 0 GCADHL O=C(c1c([O-])cccc1O)N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440397614 1195417700 /nfs/dbraw/zinc/41/77/00/1195417700.db2.gz IEFBLASMHJRJKN-UHFFFAOYSA-N -2 3 397.375 0.689 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C[N-]C(=O)C(F)(F)F)CC2)o1 ZINC000281712682 1196324252 /nfs/dbraw/zinc/32/42/52/1196324252.db2.gz MYFRSEQOCPKIQL-UHFFFAOYSA-N -2 3 397.375 0.718 20 0 GCADHL Cc1cc(C(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000444544811 1196502806 /nfs/dbraw/zinc/50/28/06/1196502806.db2.gz GDDOIIBJAJEQKI-LLVKDONJSA-N -2 3 375.429 0.662 20 0 GCADHL Cc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000524817570 1196627182 /nfs/dbraw/zinc/62/71/82/1196627182.db2.gz KXUPORLPPHLBRH-GFCCVEGCSA-N -2 3 375.429 0.831 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488013 1196992043 /nfs/dbraw/zinc/99/20/43/1196992043.db2.gz UEHGOJRMXIONHW-ZDUSSCGKSA-N -2 3 385.373 0.758 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262406267 1197530615 /nfs/dbraw/zinc/53/06/15/1197530615.db2.gz IJDDIUGJULQFTL-CMPLNLGQSA-N -2 3 385.442 0.672 20 0 GCADHL CO[C@@H](CNC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)[O-] ZINC000263081888 1197541550 /nfs/dbraw/zinc/54/15/50/1197541550.db2.gz LISRNRJFVYPVFT-NSHDSACASA-N -2 3 389.430 0.098 20 0 GCADHL CN(C)c1nc(C(=O)N[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc(=O)[n-]1 ZINC000455804209 1197577567 /nfs/dbraw/zinc/57/75/67/1197577567.db2.gz WFAHBKLSPNMOAJ-DOMZBBRYSA-N -2 3 399.407 0.405 20 0 GCADHL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000543311900 1199650676 /nfs/dbraw/zinc/65/06/76/1199650676.db2.gz SBTFDTKTPZKQQJ-UHFFFAOYSA-N -2 3 393.425 0.751 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c(C)o1 ZINC000674360317 1200228844 /nfs/dbraw/zinc/22/88/44/1200228844.db2.gz NYNIIDHDZYHMDO-ZDUSSCGKSA-N -2 3 376.398 0.529 20 0 GCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCc3ccccc3C2)c(=O)[n-]1 ZINC000729898186 1201418852 /nfs/dbraw/zinc/41/88/52/1201418852.db2.gz FNYFPHZHGBLFHK-UHFFFAOYSA-N -2 3 376.438 0.761 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)o1 ZINC000732088958 1201520074 /nfs/dbraw/zinc/52/00/74/1201520074.db2.gz IXYIBSMJHQIAPL-SNVBAGLBSA-N -2 3 384.418 0.083 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)o1 ZINC000732088958 1201520080 /nfs/dbraw/zinc/52/00/80/1201520080.db2.gz IXYIBSMJHQIAPL-SNVBAGLBSA-N -2 3 384.418 0.083 20 0 GCADHL CCn1c(=O)c2ccc(C(=O)Nc3n[n-]c(CC(=O)OC)n3)cc2[n-]c1=S ZINC000736112234 1201709973 /nfs/dbraw/zinc/70/99/73/1201709973.db2.gz USSOXHVQIRVHKN-UHFFFAOYSA-N -2 3 388.409 0.791 20 0 GCADHL CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1=O ZINC000769837387 1202075447 /nfs/dbraw/zinc/07/54/47/1202075447.db2.gz ZFGFGTOMWLGJSU-OAHLLOKOSA-N -2 3 386.430 0.722 20 0 GCADHL COC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)nn1 ZINC000790639695 1205467886 /nfs/dbraw/zinc/46/78/86/1205467886.db2.gz JCDONJKWIWWUNA-UHFFFAOYSA-N -2 3 390.324 0.020 20 0 GCADHL O=C(CCO)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21 ZINC001179574065 1205811277 /nfs/dbraw/zinc/81/12/77/1205811277.db2.gz IBVJWRDFXUEQCS-UHFFFAOYSA-N -3 3 391.379 0.360 20 0 GCADHL O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CC[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781828 1205813957 /nfs/dbraw/zinc/81/39/57/1205813957.db2.gz RQBJCTXDXJFGJR-ZETCQYMHSA-N -2 3 388.705 0.495 20 0 GCADHL O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CC[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781828 1205813959 /nfs/dbraw/zinc/81/39/59/1205813959.db2.gz RQBJCTXDXJFGJR-ZETCQYMHSA-N -2 3 388.705 0.495 20 0 GCADHL CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566825 1205924318 /nfs/dbraw/zinc/92/43/18/1205924318.db2.gz VLQXAYJJKUDHJH-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL O=S(=O)([N-]c1csc(N2CCOCC2)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566461 1205924380 /nfs/dbraw/zinc/92/43/80/1205924380.db2.gz LZJWWKNGDUMSAY-UHFFFAOYSA-N -2 3 393.454 0.961 20 0 GCADHL O=S(=O)([N-]c1csc(N2CCOCC2)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566461 1205924382 /nfs/dbraw/zinc/92/43/82/1205924382.db2.gz LZJWWKNGDUMSAY-UHFFFAOYSA-N -2 3 393.454 0.961 20 0 GCADHL COC(=O)c1nc(Cl)cnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567245 1205924463 /nfs/dbraw/zinc/92/44/63/1205924463.db2.gz WJFPIUDNNJZXSA-UHFFFAOYSA-N -2 3 395.788 0.898 20 0 GCADHL COC(=O)c1nc(Cl)cnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567245 1205924464 /nfs/dbraw/zinc/92/44/64/1205924464.db2.gz WJFPIUDNNJZXSA-UHFFFAOYSA-N -2 3 395.788 0.898 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737914966 945150554 /nfs/dbraw/zinc/15/05/54/945150554.db2.gz ASNXUHLCSNRZCO-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737914966 945150557 /nfs/dbraw/zinc/15/05/57/945150557.db2.gz ASNXUHLCSNRZCO-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001571264917 945495130 /nfs/dbraw/zinc/49/51/30/945495130.db2.gz AJWHMJFBSFKCOZ-UHFFFAOYSA-N -2 3 385.775 0.568 20 0 GCADHL CN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001571264917 945495134 /nfs/dbraw/zinc/49/51/34/945495134.db2.gz AJWHMJFBSFKCOZ-UHFFFAOYSA-N -2 3 385.775 0.568 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccnc1-c1nnn[n-]1)c1nc(C(F)(F)F)no1 ZINC001571295150 946154599 /nfs/dbraw/zinc/15/45/99/946154599.db2.gz UZTYYSJJSPESDN-YFKPBYRVSA-N -2 3 390.307 0.703 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccnc1-c1nn[n-]n1)c1nc(C(F)(F)F)no1 ZINC001571295150 946154604 /nfs/dbraw/zinc/15/46/04/946154604.db2.gz UZTYYSJJSPESDN-YFKPBYRVSA-N -2 3 390.307 0.703 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nnn[n-]1 ZINC000825553352 947217763 /nfs/dbraw/zinc/21/77/63/947217763.db2.gz OYKSJSMBDMTWCO-UHFFFAOYSA-N -2 3 377.386 0.876 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000825553352 947217770 /nfs/dbraw/zinc/21/77/70/947217770.db2.gz OYKSJSMBDMTWCO-UHFFFAOYSA-N -2 3 377.386 0.876 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000826174162 947539597 /nfs/dbraw/zinc/53/95/97/947539597.db2.gz KZGYYMNZWIVRLM-SNVBAGLBSA-N -2 3 375.385 0.966 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000826174751 947542358 /nfs/dbraw/zinc/54/23/58/947542358.db2.gz IFMVRQXRJXFSSE-OAHLLOKOSA-N -2 3 379.398 0.331 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450356 948316839 /nfs/dbraw/zinc/31/68/39/948316839.db2.gz IHDGRPOMTNXPRB-UHFFFAOYSA-N -2 3 387.303 0.727 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450356 948316846 /nfs/dbraw/zinc/31/68/46/948316846.db2.gz IHDGRPOMTNXPRB-UHFFFAOYSA-N -2 3 387.303 0.727 20 0 GCADHL CC[C@@H](C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001589555297 948788108 /nfs/dbraw/zinc/78/81/08/948788108.db2.gz PAKSSWIGEYQQOV-ZETCQYMHSA-N -2 3 377.220 0.881 20 0 GCADHL CC[C@H](C[N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001589555296 948788195 /nfs/dbraw/zinc/78/81/95/948788195.db2.gz PAKSSWIGEYQQOV-SSDOTTSWSA-N -2 3 377.220 0.881 20 0 GCADHL CC(C)n1cc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nn1 ZINC001574454679 949285999 /nfs/dbraw/zinc/28/59/99/949285999.db2.gz AJVMZVNQVLCJRF-UHFFFAOYSA-N -2 3 384.372 0.796 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884237 949844366 /nfs/dbraw/zinc/84/43/66/949844366.db2.gz HRIQQFGQWDRJJZ-ONGXEEELSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884237 949844390 /nfs/dbraw/zinc/84/43/90/949844390.db2.gz HRIQQFGQWDRJJZ-ONGXEEELSA-N -2 3 382.384 0.328 20 0 GCADHL C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000380145231 971680944 /nfs/dbraw/zinc/68/09/44/971680944.db2.gz QLAQTNMMTVURPD-LJQANCHMSA-N -2 3 386.245 0.930 20 0 GCADHL CCOC(=O)[C@@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001590130241 950812678 /nfs/dbraw/zinc/81/26/78/950812678.db2.gz YZMORVXRGPRQQT-CYBMUJFWSA-N -2 3 392.474 0.508 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)NC(=O)c1ncccc1[O-] ZINC001574529995 950966596 /nfs/dbraw/zinc/96/65/96/950966596.db2.gz SEBZEMAIFDMVJH-VHSXEESVSA-N -2 3 384.400 0.622 20 0 GCADHL CCOC(=O)c1nn[n-]c1[C@@H]1CCCN1C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001591280449 951129322 /nfs/dbraw/zinc/12/93/22/951129322.db2.gz SEIHIJKQAFMIPW-SRVKXCTJSA-N -2 3 380.401 0.915 20 0 GCADHL C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136742 952127321 /nfs/dbraw/zinc/12/73/21/952127321.db2.gz WCZOAFXHBMLASF-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575136742 952127329 /nfs/dbraw/zinc/12/73/29/952127329.db2.gz WCZOAFXHBMLASF-QGZVFWFLSA-N -2 3 381.400 0.768 20 0 GCADHL Cn1nnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)n1 ZINC001571115017 952462389 /nfs/dbraw/zinc/46/23/89/952462389.db2.gz PYACWWNOLSCTPC-UHFFFAOYSA-N -2 3 375.296 0.210 20 0 GCADHL Cn1nnc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)n1 ZINC001571115017 952462392 /nfs/dbraw/zinc/46/23/92/952462392.db2.gz PYACWWNOLSCTPC-UHFFFAOYSA-N -2 3 375.296 0.210 20 0 GCADHL CC1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001571169955 952780420 /nfs/dbraw/zinc/78/04/20/952780420.db2.gz AKTJTIIYWOGZNI-UHFFFAOYSA-N -2 3 381.400 0.546 20 0 GCADHL CC1(NC(=O)c2ncccc2[O-])CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571169955 952780421 /nfs/dbraw/zinc/78/04/21/952780421.db2.gz AKTJTIIYWOGZNI-UHFFFAOYSA-N -2 3 381.400 0.546 20 0 GCADHL C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571171046 952791021 /nfs/dbraw/zinc/79/10/21/952791021.db2.gz MLUCFEBIIUUYNS-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1CC[C@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571171046 952791023 /nfs/dbraw/zinc/79/10/23/952791023.db2.gz MLUCFEBIIUUYNS-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571238791 953231975 /nfs/dbraw/zinc/23/19/75/953231975.db2.gz MRPGUQNGSJVFDR-VHSXEESVSA-N -2 3 384.404 0.547 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H]1CCC[C@@H](OC)C1 ZINC001593810840 954935688 /nfs/dbraw/zinc/93/56/88/954935688.db2.gz HZQLZNURYWPUFZ-QNWHQSFQSA-N -2 3 378.447 0.117 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCC[C@H](OC)C1 ZINC001593810839 954936164 /nfs/dbraw/zinc/93/61/64/954936164.db2.gz HZQLZNURYWPUFZ-MROQNXINSA-N -2 3 378.447 0.117 20 0 GCADHL O=C([O-])c1ccccc1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC001594714968 956916137 /nfs/dbraw/zinc/91/61/37/956916137.db2.gz RNUXQJKHAGARAJ-UHFFFAOYSA-N -2 3 382.170 0.726 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)[O-] ZINC001603193761 972299687 /nfs/dbraw/zinc/29/96/87/972299687.db2.gz VAPKJAOXUANVCO-RXMQYKEDSA-N -2 3 383.195 0.686 20 0 GCADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)n1 ZINC001588626345 959580089 /nfs/dbraw/zinc/58/00/89/959580089.db2.gz NOHKZYVVDKCRAP-SNVBAGLBSA-N -2 3 375.389 0.599 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001605782601 972494456 /nfs/dbraw/zinc/49/44/56/972494456.db2.gz CDEXDUDUNICCLM-OCAPTIKFSA-N -2 3 381.863 0.842 20 0 GCADHL CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259223191 960688258 /nfs/dbraw/zinc/68/82/58/960688258.db2.gz RYJLXYXOUIFANP-UHFFFAOYSA-N -2 3 388.826 0.347 20 0 GCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCN2CCN(c3ncccn3)CC2)c1 ZINC001326325466 961082257 /nfs/dbraw/zinc/08/22/57/961082257.db2.gz LHXCDMBBBAPQLA-UHFFFAOYSA-N -2 3 395.441 0.258 20 0 GCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)[O-] ZINC001327233004 961151743 /nfs/dbraw/zinc/15/17/43/961151743.db2.gz BWCBJTLYISNJJC-SCSAIBSYSA-N -3 3 376.696 0.960 20 0 GCADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)oc1C(=O)[O-] ZINC001327617333 961175454 /nfs/dbraw/zinc/17/54/54/961175454.db2.gz RBOJERAFCPPJIJ-IINYFYTJSA-N -2 3 393.439 0.301 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCC1 ZINC000263323276 962466161 /nfs/dbraw/zinc/46/61/61/962466161.db2.gz OCJJCWRRLFCERA-TXEJJXNPSA-N -2 3 385.442 0.862 20 0 GCADHL O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001574669086 962541302 /nfs/dbraw/zinc/54/13/02/962541302.db2.gz PIENPFPNTMQBDT-NSHDSACASA-N -2 3 386.332 0.130 20 0 GCADHL CC(C)[C@H]([N-]S(=O)(=O)c1cnn(C)c1I)C(=O)[O-] ZINC001588960867 962622174 /nfs/dbraw/zinc/62/21/74/962622174.db2.gz QJBNFXUDSLRAPE-ZETCQYMHSA-N -2 3 387.199 0.412 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1 ZINC000284943630 962877428 /nfs/dbraw/zinc/87/74/28/962877428.db2.gz CYYNJNSUZWCYMV-UHFFFAOYSA-N -2 3 386.361 0.271 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCn1cc(Br)cn1 ZINC000313792775 963681628 /nfs/dbraw/zinc/68/16/28/963681628.db2.gz DDRKTMBDLHRDHF-UHFFFAOYSA-N -2 3 378.208 0.436 20 0 GCADHL CC(C)(C)n1nnc(CCN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C(=O)[O-])n1 ZINC000852733093 969287532 /nfs/dbraw/zinc/28/75/32/969287532.db2.gz MAXLMKZHEYMWSH-GXSJLCMTSA-N -2 3 392.382 0.567 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)[C@H]1CCC[C@H](OC)C1 ZINC001604272153 972832992 /nfs/dbraw/zinc/83/29/92/972832992.db2.gz QWZYIRNLPOTCNC-MELADBBJSA-N -2 3 392.474 0.364 20 0 GCADHL COC(=O)C1CC2(C1)CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C[C@@H]2C(=O)[O-] ZINC001604284928 972876117 /nfs/dbraw/zinc/87/61/17/972876117.db2.gz SENSFJSEQDOLJS-NOBQPIJMSA-N -2 3 377.397 0.454 20 0 GCADHL Cn1nc(C(=O)[O-])cc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001605538824 973731700 /nfs/dbraw/zinc/73/17/00/973731700.db2.gz HSULANYQDXYVLN-UHFFFAOYSA-N -2 3 388.352 0.105 20 0 GCADHL C[C@@](O)(CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000471447693 974196005 /nfs/dbraw/zinc/19/60/05/974196005.db2.gz WABPUBMKAKRNEU-OAHLLOKOSA-N -2 3 385.373 0.520 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)OC)C(=O)[O-])c(F)c1 ZINC001603814841 974292673 /nfs/dbraw/zinc/29/26/73/974292673.db2.gz QOZCVBGCPSQKMO-NSHDSACASA-N -2 3 391.373 0.687 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])ccc1F ZINC001591666864 975418843 /nfs/dbraw/zinc/41/88/43/975418843.db2.gz RUVATMUIXHSIEN-JSGCOSHPSA-N -2 3 388.417 0.563 20 0 GCADHL C[C@H](CC(=O)N[C@H]1CC[C@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC001592259402 977499226 /nfs/dbraw/zinc/49/92/26/977499226.db2.gz QGPDIUWZBMBZOJ-BBBLOLIVSA-N -2 3 375.834 0.771 20 0 GCADHL C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001592454008 978159741 /nfs/dbraw/zinc/15/97/41/978159741.db2.gz ZZTRLJZPQSNCBA-YFKPBYRVSA-N -2 3 383.195 0.829 20 0 GCADHL CC[C@H](C)[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000828714963 978987355 /nfs/dbraw/zinc/98/73/55/978987355.db2.gz CBHIAUGNLRFFIE-SUMWQHHRSA-N -2 3 377.441 0.766 20 0 GCADHL CC[C@@H](C)[C@@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000828714957 978987361 /nfs/dbraw/zinc/98/73/61/978987361.db2.gz CBHIAUGNLRFFIE-CXAGYDPISA-N -2 3 377.441 0.766 20 0 GCADHL C[C@@H](CS(=O)(=O)[N-][C@H]1Cc2cc(Br)cnc2NC1=O)C(=O)[O-] ZINC001592806477 979469641 /nfs/dbraw/zinc/46/96/41/979469641.db2.gz HUZLAXYZHLFWEF-RCOVLWMOSA-N -2 3 392.231 0.347 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@](C)(CO)C(=O)[O-])cc1F ZINC001595981878 983228304 /nfs/dbraw/zinc/22/83/04/983228304.db2.gz XQCKQHQGMCHMIP-CYBMUJFWSA-N -2 3 398.434 0.091 20 0 GCADHL CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])cc2)CC1 ZINC001596439248 984130258 /nfs/dbraw/zinc/13/02/58/984130258.db2.gz ZTCCRXIIGPLTDW-KBPBESRZSA-N -2 3 397.497 0.997 20 0 GCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@@H]1CCCOC1 ZINC001596544549 984401172 /nfs/dbraw/zinc/40/11/72/984401172.db2.gz URXQHFKEKKVEFT-PSASIEDQSA-N -2 3 378.428 0.478 20 0 GCADHL CC(=O)Nc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001589199339 985630356 /nfs/dbraw/zinc/63/03/56/985630356.db2.gz FVTGOKIRUJSDFV-UHFFFAOYSA-N -2 3 384.410 0.503 20 0 GCADHL CC(=O)Nc1cccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c1 ZINC001589210643 985699761 /nfs/dbraw/zinc/69/97/61/985699761.db2.gz VXBKMSWXNQJYGH-SNVBAGLBSA-N -3 3 380.357 0.265 20 0 GCADHL C[C@H]1SC[C@@H](C(=O)NCCC(=O)[O-])N1C(=O)c1nnc2ccccc2c1[O-] ZINC001594657003 986914134 /nfs/dbraw/zinc/91/41/34/986914134.db2.gz FXAWHVPSZJBJTH-SKDRFNHKSA-N -2 3 390.421 0.830 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@](O)(C(=O)[O-])C2)cc1OC ZINC001597230146 987183641 /nfs/dbraw/zinc/18/36/41/987183641.db2.gz ZUUXBYUWMNGMTC-HNNXBMFYSA-N -2 3 387.414 0.510 20 0 GCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC001589719218 987878208 /nfs/dbraw/zinc/87/82/08/987878208.db2.gz BAVZGKXLZXZRJG-LBPRGKRZSA-N -2 3 392.474 0.397 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C2(CC2)C1 ZINC001589929583 988686693 /nfs/dbraw/zinc/68/66/93/988686693.db2.gz ZHSBQMNBDHUZJC-SNVBAGLBSA-N -2 3 386.430 0.786 20 0 GCADHL CC(C)(C)OC(=O)N1CCOC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001590067443 989140607 /nfs/dbraw/zinc/14/06/07/989140607.db2.gz SIPCGYDVEZDHSS-VIFPVBQESA-N -2 3 390.418 0.022 20 0 GCADHL CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001599757347 992071943 /nfs/dbraw/zinc/07/19/43/992071943.db2.gz HITXWLSPPNULLM-UHFFFAOYSA-N -2 3 384.382 0.022 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](O)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001599760305 992112377 /nfs/dbraw/zinc/11/23/77/992112377.db2.gz UDFDJAFBCNFMSW-WCBMZHEXSA-N -2 3 376.818 0.619 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(F)(F)C(=O)[O-])cc1F ZINC001599761590 992129497 /nfs/dbraw/zinc/12/94/97/992129497.db2.gz UTUAQGAUOABQQS-UHFFFAOYSA-N -2 3 376.334 0.195 20 0 GCADHL COc1ccc(NC(=O)Cn2cc([N-]S(=O)(=O)CCC(=O)[O-])cn2)cc1 ZINC001599592120 993699067 /nfs/dbraw/zinc/69/90/67/993699067.db2.gz ZLMPAGUOPDRUJG-UHFFFAOYSA-N -2 3 382.398 0.747 20 0 GCADHL CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C[C@H](C(=O)[O-])C1 ZINC001598611276 993779311 /nfs/dbraw/zinc/77/93/11/993779311.db2.gz QBVGSYDJNKLOEY-LLVKDONJSA-N -2 3 387.458 0.445 20 0 GCADHL COc1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)c(OC)c1C(=O)[O-] ZINC001599610793 993950342 /nfs/dbraw/zinc/95/03/42/993950342.db2.gz QUVLPSUHSQBNHS-UHFFFAOYSA-N -2 3 395.393 0.645 20 0 GCADHL CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001598646630 994382261 /nfs/dbraw/zinc/38/22/61/994382261.db2.gz URLAKANUOPLNAN-UHFFFAOYSA-N -2 3 388.380 0.803 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(C)o1 ZINC001598673006 994790410 /nfs/dbraw/zinc/79/04/10/994790410.db2.gz CDUNTAYRFVQGIX-LBPRGKRZSA-N -2 3 384.332 0.975 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)ccc1F ZINC001598673042 994791131 /nfs/dbraw/zinc/79/11/31/994791131.db2.gz DSZHMLHVDQPKML-CQSZACIVSA-N -2 3 382.369 0.995 20 0 GCADHL 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/nfs/dbraw/zinc/69/71/11/530697111.db2.gz NCVBMSWIDARRQY-UHFFFAOYSA-N -2 3 389.459 0.333 20 0 GCADHL Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]Cc2snnc2C)no1 ZINC000349593400 530710351 /nfs/dbraw/zinc/71/03/51/530710351.db2.gz QDDRVCXXMBSCDD-UHFFFAOYSA-N -2 3 395.488 0.394 20 0 GCADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-])c(F)cc1Br ZINC000578858207 530735999 /nfs/dbraw/zinc/73/59/99/530735999.db2.gz JRUVQKZQRSPPLZ-VIFPVBQESA-N -2 3 397.222 0.894 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)NC(C)(C)C ZINC000476952169 530737911 /nfs/dbraw/zinc/73/79/11/530737911.db2.gz NEVRNBJEFLOFIC-SECBINFHSA-N -2 3 395.478 0.779 20 0 GCADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1OC ZINC000579294751 530740619 /nfs/dbraw/zinc/74/06/19/530740619.db2.gz WTJFQLSDRIGLDK-UHFFFAOYSA-N -2 3 391.789 0.333 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000579304680 530741448 /nfs/dbraw/zinc/74/14/48/530741448.db2.gz HHJIUHYLYHDNML-LLVKDONJSA-N -2 3 390.483 0.897 20 0 GCADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000578271520 530729728 /nfs/dbraw/zinc/72/97/28/530729728.db2.gz GINVQLHPFDNUQC-LLVKDONJSA-N -2 3 378.472 0.716 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2(O)CCOCC2)c(F)c1 ZINC000476220337 530730550 /nfs/dbraw/zinc/73/05/50/530730550.db2.gz QDIVCGSBRDTXEB-UHFFFAOYSA-N -2 3 382.435 0.017 20 0 GCADHL CC[C@](C)(NS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-] ZINC000578527761 530732786 /nfs/dbraw/zinc/73/27/86/530732786.db2.gz PWVODPOLJPZPLZ-AWEZNQCLSA-N -2 3 394.471 0.988 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000479195588 530756021 /nfs/dbraw/zinc/75/60/21/530756021.db2.gz WVTQMSCKTFGACL-LLVKDONJSA-N -2 3 376.456 0.613 20 0 GCADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC000579821131 530747487 /nfs/dbraw/zinc/74/74/87/530747487.db2.gz HJHOGDQLTXONSA-INWYIAFRSA-N -2 3 380.806 0.419 20 0 GCADHL COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000579838854 530748041 /nfs/dbraw/zinc/74/80/41/530748041.db2.gz CEBFGIQKZYMRMQ-JTQLQIEISA-N -2 3 394.833 0.164 20 0 GCADHL CO[C@@H]1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)[C@H](C(=O)[O-])C1 ZINC000582372115 530776720 /nfs/dbraw/zinc/77/67/20/530776720.db2.gz YGSBIZKMDZUWBN-MXWKQRLJSA-N -2 3 376.456 0.506 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c(F)c1 ZINC000481334108 530777612 /nfs/dbraw/zinc/77/76/12/530777612.db2.gz BVQGEFAABYACSU-JTQLQIEISA-N -2 3 391.446 0.239 20 0 GCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)ccc1[O-] ZINC000481463114 530778114 /nfs/dbraw/zinc/77/81/14/530778114.db2.gz GUVLDNJAGFTYMG-UHFFFAOYSA-N -2 3 385.423 0.799 20 0 GCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2ccc(Br)s2)nn1 ZINC000091389046 530802366 /nfs/dbraw/zinc/80/23/66/530802366.db2.gz KOCMIYUFWGUSCB-UHFFFAOYSA-N -2 3 381.233 0.779 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])s1 ZINC000484583669 530793650 /nfs/dbraw/zinc/79/36/50/530793650.db2.gz MASMAPYRQCPKHZ-SECBINFHSA-N -2 3 384.501 0.371 20 0 GCADHL C[C@H](CNC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)C(=O)[O-] ZINC000655889164 530809776 /nfs/dbraw/zinc/80/97/76/530809776.db2.gz SAFNTSGYZUIPFA-SNVBAGLBSA-N -2 3 375.472 0.921 20 0 GCADHL CO[C@@H](C[N-]S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)CC(=O)[O-] ZINC000656516256 530848824 /nfs/dbraw/zinc/84/88/24/530848824.db2.gz VYWRHXRCUXSCTR-LLVKDONJSA-N -2 3 376.456 0.421 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC000621602439 530851706 /nfs/dbraw/zinc/85/17/06/530851706.db2.gz SDXHLIAOAIPJPD-ONGXEEELSA-N -2 3 391.471 0.234 20 0 GCADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)C[C@@H](OC)[C@@H]2CCOC2)ccc1F ZINC000656629481 530852158 /nfs/dbraw/zinc/85/21/58/530852158.db2.gz NKNJEDCNAOMZKG-ZWNOBZJWSA-N -2 3 396.462 0.527 20 0 GCADHL Cc1nnsc1C[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1ccon1 ZINC000348394025 530862996 /nfs/dbraw/zinc/86/29/96/530862996.db2.gz VLUBBONHABBLSO-UHFFFAOYSA-N -2 3 381.461 0.086 20 0 GCADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530420333 530866482 /nfs/dbraw/zinc/86/64/82/530866482.db2.gz CHPDOGQURACCAG-SNVBAGLBSA-N -2 3 382.485 0.360 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1C(N)=O ZINC000502006130 530872021 /nfs/dbraw/zinc/87/20/21/530872021.db2.gz SMRYYZSVHFRCQZ-UHFFFAOYSA-N -2 3 390.418 0.435 20 0 GCADHL CO[C@@H]1CCC[C@H]([C@H](NC(=O)C[N-]S(=O)(=O)c2cccs2)C(=O)[O-])C1 ZINC000582556295 530845600 /nfs/dbraw/zinc/84/56/00/530845600.db2.gz JUUUHXMOPLZKIZ-WDMOLILDSA-N -2 3 390.483 0.801 20 0 GCADHL Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]Cc2nnc(C)s2)no1 ZINC000349593384 530898097 /nfs/dbraw/zinc/89/80/97/530898097.db2.gz PZKFMJBELAMMPX-UHFFFAOYSA-N -2 3 395.488 0.394 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](C)C2)n[n-]1 ZINC000349593300 530898263 /nfs/dbraw/zinc/89/82/63/530898263.db2.gz RYVTUIZNTPSAMF-SNVBAGLBSA-N -2 3 397.548 0.720 20 0 GCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)n1 ZINC000349564404 530907680 /nfs/dbraw/zinc/90/76/80/530907680.db2.gz HHSQJKREDSEPPQ-SNVBAGLBSA-N -2 3 389.459 0.585 20 0 GCADHL CSc1nc([N-]S(=O)(=O)CCCS(=O)(=O)NC2CC=CC2)n[n-]1 ZINC000349595570 530907989 /nfs/dbraw/zinc/90/79/89/530907989.db2.gz VXSBRLNPMJICRK-UHFFFAOYSA-N -2 3 381.505 0.296 20 0 GCADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC000314499613 530888831 /nfs/dbraw/zinc/88/88/31/530888831.db2.gz QLIAIJJKJKDTSV-UHFFFAOYSA-N -2 3 395.231 0.327 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)c(F)c1 ZINC000067659899 530890962 /nfs/dbraw/zinc/89/09/62/530890962.db2.gz AYPPWWNVINIBIM-UHFFFAOYSA-N -2 3 378.407 0.187 20 0 GCADHL CS(=O)(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000505823537 530895303 /nfs/dbraw/zinc/89/53/03/530895303.db2.gz ABHOWXHBBVPADL-SNVBAGLBSA-N -2 3 382.485 0.539 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N2CC[C@@H](OC)C[C@H]2C(=O)[O-])s1 ZINC000583849025 530914945 /nfs/dbraw/zinc/91/49/45/530914945.db2.gz XQWUGMOMUHREHM-KOLCDFICSA-N -2 3 391.471 0.430 20 0 GCADHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)nn1 ZINC000572688237 530954949 /nfs/dbraw/zinc/95/49/49/530954949.db2.gz KREZWWOURAYEEE-UHFFFAOYSA-N -2 3 376.391 0.797 20 0 GCADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@@](C)(O)C(=O)[O-] ZINC000262501139 530993241 /nfs/dbraw/zinc/99/32/41/530993241.db2.gz KQDGGTMDWIGBIK-SWLSCSKDSA-N -2 3 376.406 0.080 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]CCCC(=O)[O-])s1 ZINC000262490057 530998017 /nfs/dbraw/zinc/99/80/17/530998017.db2.gz XGHDITOIXFPOEW-UHFFFAOYSA-N -2 3 384.501 0.373 20 0 GCADHL COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O ZINC000572292953 530989129 /nfs/dbraw/zinc/98/91/29/530989129.db2.gz ZQQVITOYYMBJPE-WRWORJQWSA-N -2 3 394.833 0.163 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000614327714 531007541 /nfs/dbraw/zinc/00/75/41/531007541.db2.gz XQKLIIUIJVOZOE-SECBINFHSA-N -3 3 379.774 0.723 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)[O-] ZINC000424367171 531035350 /nfs/dbraw/zinc/03/53/50/531035350.db2.gz KQYKEXVUODBTJU-RISCZKNCSA-N -2 3 390.483 0.859 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000422552622 531014153 /nfs/dbraw/zinc/01/41/53/531014153.db2.gz HTZLMZSHBKBQGU-VXGBXAGGSA-N -2 3 390.483 0.859 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000422552620 531014286 /nfs/dbraw/zinc/01/42/86/531014286.db2.gz HTZLMZSHBKBQGU-NWDGAFQWSA-N -2 3 390.483 0.859 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2cc(C(=O)[O-])co2)cc1F ZINC000527491120 531022794 /nfs/dbraw/zinc/02/27/94/531022794.db2.gz ZKFCHIDHJVNSIR-UHFFFAOYSA-N -2 3 392.386 0.967 20 0 GCADHL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000328057675 531024940 /nfs/dbraw/zinc/02/49/40/531024940.db2.gz KUCVEMXCBZHLCK-WDEREUQCSA-N -2 3 376.381 0.805 20 0 GCADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OCCOC)C(=O)[O-] ZINC000530338413 531025472 /nfs/dbraw/zinc/02/54/72/531025472.db2.gz LJCUTAGDPYUBQQ-SMDDNHRTSA-N -2 3 379.406 0.743 20 0 GCADHL CO[C@@](C)(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000663053374 531029517 /nfs/dbraw/zinc/02/95/17/531029517.db2.gz DETDWNLLFGKNKA-CYBMUJFWSA-N -2 3 382.797 0.363 20 0 GCADHL CC(C)C[C@@H](CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-] ZINC000424248211 531033107 /nfs/dbraw/zinc/03/31/07/531033107.db2.gz NCLAQQSFKLHZGX-QMMMGPOBSA-N -2 3 376.207 0.575 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[O-])CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C1 ZINC000263219555 531001389 /nfs/dbraw/zinc/00/13/89/531001389.db2.gz OSTFCABMAGBAEY-VHSXEESVSA-N -2 3 394.446 0.929 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000262547388 531004779 /nfs/dbraw/zinc/00/47/79/531004779.db2.gz SYODWTFVZXSJKX-UWVGGRQHSA-N -2 3 378.497 0.834 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000262547390 531004844 /nfs/dbraw/zinc/00/48/44/531004844.db2.gz SYODWTFVZXSJKX-ZJUUUORDSA-N -2 3 378.497 0.834 20 0 GCADHL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000630333279 531063457 /nfs/dbraw/zinc/06/34/57/531063457.db2.gz WKCBSBGRUIEMCW-UHFFFAOYSA-N -2 3 386.455 0.953 20 0 GCADHL Cc1cc([N-]S(=O)(=O)CCCS(=O)(=O)[N-][C@H](C)c2nc(C)no2)no1 ZINC000349566630 531068266 /nfs/dbraw/zinc/06/82/66/531068266.db2.gz LEPWBQAPWOBEIA-SECBINFHSA-N -2 3 393.447 0.487 20 0 GCADHL CS(=O)(=O)Cc1noc(=NC([O-])=CSc2ccc3c(c2)OCCO3)[n-]1 ZINC000540460560 531049786 /nfs/dbraw/zinc/04/97/86/531049786.db2.gz AHHNJJBNVCZDNO-UHFFFAOYSA-N -2 3 385.423 0.538 20 0 GCADHL COCc1nc(=NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)s[n-]1 ZINC000541527629 531059138 /nfs/dbraw/zinc/05/91/38/531059138.db2.gz AHHHFDXLTVPBNJ-UHFFFAOYSA-N -2 3 392.409 0.692 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000547870749 531104331 /nfs/dbraw/zinc/10/43/31/531104331.db2.gz OQFIIOYKRWMLTC-UHFFFAOYSA-N -2 3 385.623 0.582 20 0 GCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-] ZINC000547872468 531105301 /nfs/dbraw/zinc/10/53/01/531105301.db2.gz FUQYBEYWJLVSRY-MRVPVSSYSA-N -2 3 386.407 0.295 20 0 GCADHL CCN1CCN(C[C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000545544207 531086697 /nfs/dbraw/zinc/08/66/97/531086697.db2.gz PLCSUZBMHHSQJO-LBPRGKRZSA-N -2 3 375.516 0.998 20 0 GCADHL CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC000516227213 531094842 /nfs/dbraw/zinc/09/48/42/531094842.db2.gz ZMFYPYXPHNUAPL-UHFFFAOYSA-N -2 3 388.423 0.707 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1C(N)=O ZINC000546886065 531094939 /nfs/dbraw/zinc/09/49/39/531094939.db2.gz HCEPQDIHFGPMDT-UHFFFAOYSA-N -2 3 391.406 0.128 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CC(=O)[O-])C2)cc1F ZINC000516529402 531096571 /nfs/dbraw/zinc/09/65/71/531096571.db2.gz PJAOISAESOJWHE-VIFPVBQESA-N -2 3 380.419 0.683 20 0 GCADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000547555880 531098425 /nfs/dbraw/zinc/09/84/25/531098425.db2.gz OXGVURPGJULKSC-ZETCQYMHSA-N -2 3 385.623 0.709 20 0 GCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547560795 531099420 /nfs/dbraw/zinc/09/94/20/531099420.db2.gz GJIOVDCYKLQLMS-RXMQYKEDSA-N -3 3 378.746 0.228 20 0 GCADHL Cc1sc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547564841 531099513 /nfs/dbraw/zinc/09/95/13/531099513.db2.gz FKHQXMGCMLQVCJ-SNVBAGLBSA-N -2 3 388.427 0.920 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)[O-] ZINC000547572429 531100021 /nfs/dbraw/zinc/10/00/21/531100021.db2.gz TXAZSRMAIQPXHX-LBPRGKRZSA-N -2 3 392.499 0.831 20 0 GCADHL O=C([O-])COCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000547608184 531101238 /nfs/dbraw/zinc/10/12/38/531101238.db2.gz SOHRQCZNQSCTGG-UHFFFAOYSA-N -2 3 383.176 0.737 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547608106 531101558 /nfs/dbraw/zinc/10/15/58/531101558.db2.gz LVKKFEDBNFCCFA-CQSZACIVSA-N -3 3 377.346 0.456 20 0 GCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547617922 531102436 /nfs/dbraw/zinc/10/24/36/531102436.db2.gz QFYKESVIBDFDIL-KCJUWKMLSA-N -2 3 378.790 0.667 20 0 GCADHL CCC1(Cn2cc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)nn2)COC1 ZINC000666975423 531103438 /nfs/dbraw/zinc/10/34/38/531103438.db2.gz OSSBENPMNVRETK-UHFFFAOYSA-N -2 3 387.447 0.180 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]C[C@H](Cc1cccnc1)C(=O)[O-] ZINC000547898986 531106212 /nfs/dbraw/zinc/10/62/12/531106212.db2.gz WTKKRHWZCSNKSK-JTQLQIEISA-N -2 3 385.423 0.547 20 0 GCADHL CO[C@H](CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(=O)[O-] ZINC000547899337 531106229 /nfs/dbraw/zinc/10/62/29/531106229.db2.gz RDDCZPRLNYKYTR-GFCCVEGCSA-N -2 3 398.434 0.354 20 0 GCADHL C[C@H](CC(=O)[O-])N(CCO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000547912557 531106920 /nfs/dbraw/zinc/10/69/20/531106920.db2.gz QOPDRJNJTMWFGG-SECBINFHSA-N -2 3 398.434 0.043 20 0 GCADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547934841 531108072 /nfs/dbraw/zinc/10/80/72/531108072.db2.gz YDGINYGPCQWYJZ-AWEZNQCLSA-N -3 3 377.346 0.456 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c(C(=O)OC)s1 ZINC000547934916 531108151 /nfs/dbraw/zinc/10/81/51/531108151.db2.gz ZGZBFBQLKNEZJA-SECBINFHSA-N -2 3 377.396 0.463 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000547936110 531108179 /nfs/dbraw/zinc/10/81/79/531108179.db2.gz XCJYYSQEPYLOTD-CYBMUJFWSA-N -3 3 390.805 0.535 20 0 GCADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cncc(Br)c2)C(=O)[O-])c1 ZINC000548210556 531111052 /nfs/dbraw/zinc/11/10/52/531111052.db2.gz XYJLMKYWWYCTMH-LLVKDONJSA-N -2 3 389.231 0.781 20 0 GCADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)[O-] ZINC000548212117 531111218 /nfs/dbraw/zinc/11/12/18/531111218.db2.gz ILAORJHZZCJXPZ-GFCCVEGCSA-N -2 3 392.499 0.831 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC000548208225 531111689 /nfs/dbraw/zinc/11/16/89/531111689.db2.gz SHBDWMKKTVWUHO-GMSGAONNSA-N -2 3 379.412 0.311 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000548224902 531111754 /nfs/dbraw/zinc/11/17/54/531111754.db2.gz ORKITRFXCDSDAH-SECBINFHSA-N -3 3 377.346 0.456 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(=O)OC)C(=O)[O-] ZINC000548215204 531111954 /nfs/dbraw/zinc/11/19/54/531111954.db2.gz LEVBKQDYBXYDPZ-VIFPVBQESA-N -2 3 396.215 0.614 20 0 GCADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)C(=O)[O-])cn1 ZINC000548224025 531112115 /nfs/dbraw/zinc/11/21/15/531112115.db2.gz PRTCMGXBOFBALA-JTQLQIEISA-N -2 3 378.332 0.808 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])s1 ZINC000548222611 531112127 /nfs/dbraw/zinc/11/21/27/531112127.db2.gz MQRNGYRCMGOTTB-ZDUSSCGKSA-N -2 3 386.451 0.994 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)c(Cl)c1 ZINC000548230202 531112869 /nfs/dbraw/zinc/11/28/69/531112869.db2.gz FQUWXNBOOSZTEJ-UHFFFAOYSA-N -2 3 388.789 0.281 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)CC(=O)[O-] ZINC000548262795 531113792 /nfs/dbraw/zinc/11/37/92/531113792.db2.gz ANVMRPVDZBFMES-GFCCVEGCSA-N -2 3 390.483 0.860 20 0 GCADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]1CCOC1 ZINC000548535083 531118136 /nfs/dbraw/zinc/11/81/36/531118136.db2.gz KYADMQNQXAMZQJ-QPUJVOFHSA-N -2 3 377.802 0.895 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])o2)cc1F ZINC000548589237 531120338 /nfs/dbraw/zinc/12/03/38/531120338.db2.gz IAXNQCMLTXNFCV-UHFFFAOYSA-N -2 3 392.386 0.967 20 0 GCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548868841 531123569 /nfs/dbraw/zinc/12/35/69/531123569.db2.gz GPGYQMMSNPDILD-ZYHUDNBSSA-N -2 3 388.467 0.611 20 0 GCADHL Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433512560 531130555 /nfs/dbraw/zinc/13/05/55/531130555.db2.gz OEWAHFUKMFGJGI-UHFFFAOYSA-N -3 3 386.407 0.847 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000675944975 531134371 /nfs/dbraw/zinc/13/43/71/531134371.db2.gz YFGNYSSVLYIEDW-SSDOTTSWSA-N -2 3 388.427 0.681 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436822174 531147599 /nfs/dbraw/zinc/14/75/99/531147599.db2.gz SFJAUFBCNIHCQU-UHFFFAOYSA-N -2 3 393.393 0.849 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c1OC ZINC000551997970 531141017 /nfs/dbraw/zinc/14/10/17/531141017.db2.gz JGIHCZCUACKIGP-VIFPVBQESA-N -2 3 380.806 0.086 20 0 GCADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-])C1CC1 ZINC000554678236 531164342 /nfs/dbraw/zinc/16/43/42/531164342.db2.gz PXCKPKFWAARUBB-IINYFYTJSA-N -2 3 390.483 0.715 20 0 GCADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-])C1CC1 ZINC000554678238 531164444 /nfs/dbraw/zinc/16/44/44/531164444.db2.gz PXCKPKFWAARUBB-YGRLFVJLSA-N -2 3 390.483 0.715 20 0 GCADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)[O-] ZINC000681573100 531167056 /nfs/dbraw/zinc/16/70/56/531167056.db2.gz ZVRYOVHPHFGGRO-SNVBAGLBSA-N -2 3 398.528 0.619 20 0 GCADHL CC[C@H](CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC)C(=O)[O-] ZINC000681572318 531167217 /nfs/dbraw/zinc/16/72/17/531167217.db2.gz VXLZHANMAYNNMM-SNVBAGLBSA-N -2 3 394.471 0.846 20 0 GCADHL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000555218772 531167496 /nfs/dbraw/zinc/16/74/96/531167496.db2.gz GAHYTRHZZHYRKC-MRVPVSSYSA-N -2 3 388.389 0.831 20 0 GCADHL O=C(c1ccccc1[O-])N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440037468 531167898 /nfs/dbraw/zinc/16/78/98/531167898.db2.gz MQXQDNIEXYTZLV-UHFFFAOYSA-N -2 3 381.376 0.983 20 0 GCADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cnc(C)n1C ZINC000629350089 531169218 /nfs/dbraw/zinc/16/92/18/531169218.db2.gz FUQYZSNEBSTBRT-UHFFFAOYSA-N -2 3 376.435 0.967 20 0 GCADHL O=c1nc(NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nc2[nH][n-]cc1-2 ZINC000440672881 531175082 /nfs/dbraw/zinc/17/50/82/531175082.db2.gz YETPCJOPEJPHMQ-UHFFFAOYSA-N -2 3 386.796 0.615 20 0 GCADHL CC(C)CS(=O)(=O)N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000564919645 531177483 /nfs/dbraw/zinc/17/74/83/531177483.db2.gz VPEDIPDAYJVANY-UHFFFAOYSA-N -2 3 394.471 0.706 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c(Br)c1 ZINC000565233606 531182759 /nfs/dbraw/zinc/18/27/59/531182759.db2.gz WGAAPYRAHBXEBS-SECBINFHSA-N -2 3 396.215 0.350 20 0 GCADHL C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000443090335 531196880 /nfs/dbraw/zinc/19/68/80/531196880.db2.gz BOLSFGHQFMRJJD-OAQYLSRUSA-N -2 3 384.476 0.387 20 0 GCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737833421 598858693 /nfs/dbraw/zinc/85/86/93/598858693.db2.gz RLOAYYDQDDSAJV-AWEZNQCLSA-N -2 3 395.441 0.651 20 0 GCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000737833421 598858694 /nfs/dbraw/zinc/85/86/94/598858694.db2.gz RLOAYYDQDDSAJV-AWEZNQCLSA-N -2 3 395.441 0.651 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000737301983 598930611 /nfs/dbraw/zinc/93/06/11/598930611.db2.gz ZPTPRLVOHKHKEA-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cn1 ZINC000821663993 607254844 /nfs/dbraw/zinc/25/48/44/607254844.db2.gz XTZYJUQJWRLGFF-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737299504 598975451 /nfs/dbraw/zinc/97/54/51/598975451.db2.gz QVLUSGYTYSKZJU-UHFFFAOYSA-N -2 3 375.414 0.644 20 0 GCADHL Cc1nn(C)c(C)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737299504 598975453 /nfs/dbraw/zinc/97/54/53/598975453.db2.gz QVLUSGYTYSKZJU-UHFFFAOYSA-N -2 3 375.414 0.644 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000735467088 598975554 /nfs/dbraw/zinc/97/55/54/598975554.db2.gz YKULUGHHDAFPFC-ZDUSSCGKSA-N -2 3 392.441 0.239 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000735467088 598975556 /nfs/dbraw/zinc/97/55/56/598975556.db2.gz YKULUGHHDAFPFC-ZDUSSCGKSA-N -2 3 392.441 0.239 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736932859 598975587 /nfs/dbraw/zinc/97/55/87/598975587.db2.gz VCJQIRHMMBOPRN-UHFFFAOYSA-N -2 3 396.429 0.458 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736932859 598975589 /nfs/dbraw/zinc/97/55/89/598975589.db2.gz VCJQIRHMMBOPRN-UHFFFAOYSA-N -2 3 396.429 0.458 20 0 GCADHL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000736948844 599026728 /nfs/dbraw/zinc/02/67/28/599026728.db2.gz QERVXFOFMXQLQT-UHFFFAOYSA-N -2 3 393.406 0.834 20 0 GCADHL COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000736948844 599026730 /nfs/dbraw/zinc/02/67/30/599026730.db2.gz QERVXFOFMXQLQT-UHFFFAOYSA-N -2 3 393.406 0.834 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1sccc1-c1nnn[n-]1 ZINC000738140900 599027428 /nfs/dbraw/zinc/02/74/28/599027428.db2.gz YUZUQPVHQSIPAB-UHFFFAOYSA-N -2 3 376.423 0.966 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1sccc1-c1nn[n-]n1 ZINC000738140900 599027430 /nfs/dbraw/zinc/02/74/30/599027430.db2.gz YUZUQPVHQSIPAB-UHFFFAOYSA-N -2 3 376.423 0.966 20 0 GCADHL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(-c4nnn[n-]4)cn3)cc2C1=O ZINC000821620247 599232894 /nfs/dbraw/zinc/23/28/94/599232894.db2.gz CZJOREJUSYQFLN-UHFFFAOYSA-N -2 3 385.365 0.288 20 0 GCADHL CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc2C1=O ZINC000821620247 599232896 /nfs/dbraw/zinc/23/28/96/599232896.db2.gz CZJOREJUSYQFLN-UHFFFAOYSA-N -2 3 385.365 0.288 20 0 GCADHL CNC(=O)COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000736875159 598283109 /nfs/dbraw/zinc/28/31/09/598283109.db2.gz UPBHLESOVJSELB-UHFFFAOYSA-N -2 3 388.409 0.792 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738340518 598296425 /nfs/dbraw/zinc/29/64/25/598296425.db2.gz WUFYRYIVPBSTIE-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL O=S(=O)([N-]c1nc2ncccn2n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738340518 598296426 /nfs/dbraw/zinc/29/64/26/598296426.db2.gz WUFYRYIVPBSTIE-UHFFFAOYSA-N -2 3 377.777 0.759 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736186324 598306369 /nfs/dbraw/zinc/30/63/69/598306369.db2.gz YRJFGDVGKJVCNM-RYUDHWBXSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736186324 598306370 /nfs/dbraw/zinc/30/63/70/598306370.db2.gz YRJFGDVGKJVCNM-RYUDHWBXSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736170001 598306447 /nfs/dbraw/zinc/30/64/47/598306447.db2.gz QLUWFLIGMUDFBH-BXUZGUMPSA-N -2 3 395.441 0.649 20 0 GCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737605465 598415178 /nfs/dbraw/zinc/41/51/78/598415178.db2.gz UOXMTDPFHIQKGL-UHFFFAOYSA-N -2 3 395.832 0.691 20 0 GCADHL Cn1cc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737605465 598415180 /nfs/dbraw/zinc/41/51/80/598415180.db2.gz UOXMTDPFHIQKGL-UHFFFAOYSA-N -2 3 395.832 0.691 20 0 GCADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736906907 598416483 /nfs/dbraw/zinc/41/64/83/598416483.db2.gz ABOAWLUUGLHLMS-BDAKNGLRSA-N -2 3 385.789 0.134 20 0 GCADHL COC(=O)[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736906907 598416484 /nfs/dbraw/zinc/41/64/84/598416484.db2.gz ABOAWLUUGLHLMS-BDAKNGLRSA-N -2 3 385.789 0.134 20 0 GCADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736906913 598416515 /nfs/dbraw/zinc/41/65/15/598416515.db2.gz ABOAWLUUGLHLMS-DTWKUNHWSA-N -2 3 385.789 0.134 20 0 GCADHL COC(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736906913 598416516 /nfs/dbraw/zinc/41/65/16/598416516.db2.gz ABOAWLUUGLHLMS-DTWKUNHWSA-N -2 3 385.789 0.134 20 0 GCADHL O=C(CSC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737933236 598482478 /nfs/dbraw/zinc/48/24/78/598482478.db2.gz VQWZSTIEXMEINZ-LBPRGKRZSA-N -2 3 397.482 0.974 20 0 GCADHL O=C(CSC[C@@H]1CCCCO1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737933236 598482479 /nfs/dbraw/zinc/48/24/79/598482479.db2.gz VQWZSTIEXMEINZ-LBPRGKRZSA-N -2 3 397.482 0.974 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736931278 598485260 /nfs/dbraw/zinc/48/52/60/598485260.db2.gz SYYRHQMREFTIGO-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736931278 598485262 /nfs/dbraw/zinc/48/52/62/598485262.db2.gz SYYRHQMREFTIGO-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736934348 598516672 /nfs/dbraw/zinc/51/66/72/598516672.db2.gz ASZKBFXNSRAZQS-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736934348 598516673 /nfs/dbraw/zinc/51/66/73/598516673.db2.gz ASZKBFXNSRAZQS-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000737436484 598536269 /nfs/dbraw/zinc/53/62/69/598536269.db2.gz NLIIWODTWXODFH-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000737436484 598536271 /nfs/dbraw/zinc/53/62/71/598536271.db2.gz NLIIWODTWXODFH-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736935715 598543450 /nfs/dbraw/zinc/54/34/50/598543450.db2.gz LALJXSDOGCSFAJ-NSHDSACASA-N -2 3 382.402 0.052 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736935715 598543452 /nfs/dbraw/zinc/54/34/52/598543452.db2.gz LALJXSDOGCSFAJ-NSHDSACASA-N -2 3 382.402 0.052 20 0 GCADHL O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738343394 598638587 /nfs/dbraw/zinc/63/85/87/598638587.db2.gz YCDUKMHCLVJCRM-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738343394 598638589 /nfs/dbraw/zinc/63/85/89/598638589.db2.gz YCDUKMHCLVJCRM-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000737013397 598739916 /nfs/dbraw/zinc/73/99/16/598739916.db2.gz HFUDEFDREZJFBM-CYBMUJFWSA-N -2 3 383.430 0.363 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000737013397 598739917 /nfs/dbraw/zinc/73/99/17/598739917.db2.gz HFUDEFDREZJFBM-CYBMUJFWSA-N -2 3 383.430 0.363 20 0 GCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737962107 598752765 /nfs/dbraw/zinc/75/27/65/598752765.db2.gz ONAAFYJXKDEMPZ-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737962107 598752767 /nfs/dbraw/zinc/75/27/67/598752767.db2.gz ONAAFYJXKDEMPZ-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737794645 598762619 /nfs/dbraw/zinc/76/26/19/598762619.db2.gz FVMWLKBDPAVPFY-ZZXKWVIFSA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737794645 598762620 /nfs/dbraw/zinc/76/26/20/598762620.db2.gz FVMWLKBDPAVPFY-ZZXKWVIFSA-N -2 3 377.426 0.796 20 0 GCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736966763 598785726 /nfs/dbraw/zinc/78/57/26/598785726.db2.gz AIVLVDSKNSVSJX-SSDOTTSWSA-N -2 3 393.347 0.973 20 0 GCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736966763 598785728 /nfs/dbraw/zinc/78/57/28/598785728.db2.gz AIVLVDSKNSVSJX-SSDOTTSWSA-N -2 3 393.347 0.973 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000737629480 598799301 /nfs/dbraw/zinc/79/93/01/598799301.db2.gz WBKCGOMVDFJFBO-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nn[n-]n3)ccc21 ZINC000737629480 598799302 /nfs/dbraw/zinc/79/93/02/598799302.db2.gz WBKCGOMVDFJFBO-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822868556 599306719 /nfs/dbraw/zinc/30/67/19/599306719.db2.gz CVGQVIVPVVIANJ-UHFFFAOYSA-N -2 3 388.413 0.350 20 0 GCADHL NC(=O)CCNc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822868556 599306721 /nfs/dbraw/zinc/30/67/21/599306721.db2.gz CVGQVIVPVVIANJ-UHFFFAOYSA-N -2 3 388.413 0.350 20 0 GCADHL O=C([N-]N1CC(=O)NC1=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823535855 599312368 /nfs/dbraw/zinc/31/23/68/599312368.db2.gz JWQQIKFQYVXQTP-UHFFFAOYSA-N -2 3 383.324 0.235 20 0 GCADHL O=C([N-]N1CC(=O)NC1=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823535855 599312372 /nfs/dbraw/zinc/31/23/72/599312372.db2.gz JWQQIKFQYVXQTP-UHFFFAOYSA-N -2 3 383.324 0.235 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(-n2cccn2)n1 ZINC000738140362 599517872 /nfs/dbraw/zinc/51/78/72/599517872.db2.gz STAZDKWGNPYXFT-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cccn2)n1 ZINC000738140362 599517875 /nfs/dbraw/zinc/51/78/75/599517875.db2.gz STAZDKWGNPYXFT-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820051387 599619563 /nfs/dbraw/zinc/61/95/63/599619563.db2.gz OPHSIMBSTZPCGU-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820051387 599619564 /nfs/dbraw/zinc/61/95/64/599619564.db2.gz OPHSIMBSTZPCGU-UHFFFAOYSA-N -2 3 394.457 0.365 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821286371 599619953 /nfs/dbraw/zinc/61/99/53/599619953.db2.gz REIJCGYXFYFVNO-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821286371 599619954 /nfs/dbraw/zinc/61/99/54/599619954.db2.gz REIJCGYXFYFVNO-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000822705093 599622028 /nfs/dbraw/zinc/62/20/28/599622028.db2.gz UZXZPASLRULWMM-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000822705093 599622029 /nfs/dbraw/zinc/62/20/29/599622029.db2.gz UZXZPASLRULWMM-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820525137 599625785 /nfs/dbraw/zinc/62/57/85/599625785.db2.gz CSXZFGJHYXTJKV-SSDOTTSWSA-N -2 3 379.320 0.642 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-] ZINC000730765354 599768876 /nfs/dbraw/zinc/76/88/76/599768876.db2.gz GGTVMLXDYCTSDG-UHFFFAOYSA-N -2 3 399.194 0.076 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCOCC3)cc2)o1 ZINC000740176688 599769329 /nfs/dbraw/zinc/76/93/29/599769329.db2.gz QSFRWPQIURFZJY-UHFFFAOYSA-N -2 3 394.405 0.929 20 0 GCADHL CS(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000738177531 599779809 /nfs/dbraw/zinc/77/98/09/599779809.db2.gz RZTXBGAACIOCBQ-UHFFFAOYSA-N -2 3 389.407 0.739 20 0 GCADHL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)cc21 ZINC000740315499 600004169 /nfs/dbraw/zinc/00/41/69/600004169.db2.gz IJXZYPMNLVADGQ-UHFFFAOYSA-N -3 3 386.345 0.946 20 0 GCADHL Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cnc21 ZINC000484559191 600236074 /nfs/dbraw/zinc/23/60/74/600236074.db2.gz WZJJCSQLEKIDRL-UHFFFAOYSA-N -2 3 394.340 0.672 20 0 GCADHL CN(C)C[C@@H]1CN(C(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)CCO1 ZINC000737365856 600258923 /nfs/dbraw/zinc/25/89/23/600258923.db2.gz OUAPNZFNKYXWSM-MRXNPFEDSA-N -2 3 388.424 0.195 20 0 GCADHL O=C([O-])[C@@H]1CC12CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000739523475 600268329 /nfs/dbraw/zinc/26/83/29/600268329.db2.gz BSYFFLALHFZYKK-QMMMGPOBSA-N -2 3 386.202 0.425 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000737775324 600421147 /nfs/dbraw/zinc/42/11/47/600421147.db2.gz VAKICPJDILZHCB-UHFFFAOYSA-N -2 3 376.406 0.686 20 0 GCADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)NCCN3CCSCC3)cc2)[n-]1 ZINC000739877148 600495979 /nfs/dbraw/zinc/49/59/79/600495979.db2.gz MLCXDAUFCJBTNT-UHFFFAOYSA-N -2 3 390.465 0.571 20 0 GCADHL NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000739198176 600627837 /nfs/dbraw/zinc/62/78/37/600627837.db2.gz RJHOCPRXRUSOLU-UHFFFAOYSA-N -2 3 388.398 0.901 20 0 GCADHL CC(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736152557 600632093 /nfs/dbraw/zinc/63/20/93/600632093.db2.gz OJFWFDUWIHWLBY-UHFFFAOYSA-N -2 3 383.195 0.701 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825669386 607460396 /nfs/dbraw/zinc/46/03/96/607460396.db2.gz WWJPPNCMDVVCOB-UHFFFAOYSA-N -2 3 383.415 0.184 20 0 GCADHL COc1ccccc1-n1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cn1 ZINC000826217898 607461281 /nfs/dbraw/zinc/46/12/81/607461281.db2.gz HDCTUWZGPCQXQF-UHFFFAOYSA-N -2 3 387.385 0.585 20 0 GCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000739200656 600663178 /nfs/dbraw/zinc/66/31/78/600663178.db2.gz GRRJATFUFBGBQJ-MRVPVSSYSA-N -2 3 383.158 0.788 20 0 GCADHL CN(C)Cc1nc(C2([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)CCCC2)no1 ZINC000830624151 600734351 /nfs/dbraw/zinc/73/43/51/600734351.db2.gz YNKUDZBSVDKKRO-UHFFFAOYSA-N -2 3 398.445 0.160 20 0 GCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000828184111 600798638 /nfs/dbraw/zinc/79/86/38/600798638.db2.gz NTZLWCZLXKKMIP-ABAIWWIYSA-N -2 3 392.437 0.732 20 0 GCADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)cc1OC ZINC000832235624 600874675 /nfs/dbraw/zinc/87/46/75/600874675.db2.gz MVDNUOFIXDVDRC-QMMMGPOBSA-N -2 3 378.341 0.433 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Cn2cc(C(=O)[O-])nn2)cc1OC ZINC000830137133 601197083 /nfs/dbraw/zinc/19/70/83/601197083.db2.gz XPEURIBQAREGOC-UHFFFAOYSA-N -2 3 383.386 0.385 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)cc1C(=O)[O-] ZINC000833026463 601222342 /nfs/dbraw/zinc/22/23/42/601222342.db2.gz DBMDGSWQEKBDQG-UHFFFAOYSA-N -2 3 392.386 0.551 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027530 601222658 /nfs/dbraw/zinc/22/26/58/601222658.db2.gz GRIHGGBHDVIGFT-GFCCVEGCSA-N -2 3 382.398 0.494 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027533 601222768 /nfs/dbraw/zinc/22/27/68/601222768.db2.gz GRIHGGBHDVIGFT-LBPRGKRZSA-N -2 3 382.398 0.494 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820833021 607496140 /nfs/dbraw/zinc/49/61/40/607496140.db2.gz QDUKWSHLFQQOGK-ZDUSSCGKSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820833021 607496143 /nfs/dbraw/zinc/49/61/43/607496143.db2.gz QDUKWSHLFQQOGK-ZDUSSCGKSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820831969 607496228 /nfs/dbraw/zinc/49/62/28/607496228.db2.gz FODGTNDOEDUMAQ-LLVKDONJSA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820831969 607496229 /nfs/dbraw/zinc/49/62/29/607496229.db2.gz FODGTNDOEDUMAQ-LLVKDONJSA-N -2 3 392.441 0.071 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCN2C(=O)CCC2=O)c1F ZINC000833293614 601235160 /nfs/dbraw/zinc/23/51/60/601235160.db2.gz AFGGSNSXJUYZFH-UHFFFAOYSA-N -2 3 376.337 0.480 20 0 GCADHL CCOC(=O)CCS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000829847275 601262742 /nfs/dbraw/zinc/26/27/42/601262742.db2.gz CMLBRUQJXICLCD-JTQLQIEISA-N -2 3 390.439 0.424 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(=O)[O-])c(C)o1 ZINC000831033850 601358070 /nfs/dbraw/zinc/35/80/70/601358070.db2.gz GKGGPCDQVYUPID-UHFFFAOYSA-N -2 3 396.377 0.990 20 0 GCADHL C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000825977228 601592326 /nfs/dbraw/zinc/59/23/26/601592326.db2.gz AZDXTVXKYSLRKQ-CQSZACIVSA-N -2 3 389.452 0.862 20 0 GCADHL COC(=O)[C@H](C)CS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)[O-])C1=O 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O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cnn([C@H]2CCOC2)c1 ZINC000826492900 607683515 /nfs/dbraw/zinc/68/35/15/607683515.db2.gz KLGGOJAXYDVOLM-JTQLQIEISA-N -2 3 379.377 0.965 20 0 GCADHL CS(=O)(=O)[N-]c1cc(C(=O)OCCc2cn(CC(=O)[O-])nn2)ccc1F ZINC000832699369 604837139 /nfs/dbraw/zinc/83/71/39/604837139.db2.gz HLIMZBSCSFPBFG-UHFFFAOYSA-N -2 3 386.361 0.273 20 0 GCADHL C[C@H](CC(=O)NC1CN(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000824624231 604953289 /nfs/dbraw/zinc/95/32/89/604953289.db2.gz YLUBYGDVYJJHLM-MRVPVSSYSA-N -2 3 376.822 0.270 20 0 GCADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])N2CCOCC2)o1 ZINC000833749308 605015983 /nfs/dbraw/zinc/01/59/83/605015983.db2.gz PWRNSKJEZFRINU-LBPRGKRZSA-N -2 3 398.441 0.670 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@]2(O)CCSC2)c(Br)o1 ZINC000702263750 605042685 /nfs/dbraw/zinc/04/26/85/605042685.db2.gz NLWKXJHZCNNTTE-JTQLQIEISA-N -2 3 386.245 0.887 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)c(Br)o1 ZINC000702263751 605042870 /nfs/dbraw/zinc/04/28/70/605042870.db2.gz NLWKXJHZCNNTTE-SNVBAGLBSA-N -2 3 386.245 0.887 20 0 GCADHL COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1 ZINC000833736255 605046537 /nfs/dbraw/zinc/04/65/37/605046537.db2.gz BZEJNZQEBJOEJK-LLVKDONJSA-N -2 3 380.426 0.982 20 0 GCADHL Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000833742372 605163686 /nfs/dbraw/zinc/16/36/86/605163686.db2.gz KSAINPGDFQEECT-JTQLQIEISA-N -3 3 375.385 0.365 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)nn1C ZINC000820187548 606133742 /nfs/dbraw/zinc/13/37/42/606133742.db2.gz GVLRSTVIMBUECZ-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)nn1C ZINC000820187548 606133743 /nfs/dbraw/zinc/13/37/43/606133743.db2.gz GVLRSTVIMBUECZ-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000819789202 606133757 /nfs/dbraw/zinc/13/37/57/606133757.db2.gz KJHFERCFCWKGCN-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000819789202 606133759 /nfs/dbraw/zinc/13/37/59/606133759.db2.gz KJHFERCFCWKGCN-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)Cc1ccon1 ZINC000820525519 606135483 /nfs/dbraw/zinc/13/54/83/606135483.db2.gz FMSNICMWLNJLBG-SECBINFHSA-N -2 3 378.370 0.268 20 0 GCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000821669627 606180684 /nfs/dbraw/zinc/18/06/84/606180684.db2.gz VIBDACJHVXDJOG-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000821669627 606180685 /nfs/dbraw/zinc/18/06/85/606180685.db2.gz VIBDACJHVXDJOG-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655771 606205520 /nfs/dbraw/zinc/20/55/20/606205520.db2.gz RJHLOYZKLSVLHI-RYUDHWBXSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655771 606205521 /nfs/dbraw/zinc/20/55/21/606205521.db2.gz RJHLOYZKLSVLHI-RYUDHWBXSA-N -2 3 393.425 0.651 20 0 GCADHL Cc1cc(=NC(=O)c2cc(-c3nnn[n-]3)cn2C)nc2nc(C(F)(F)F)[n-]n21 ZINC000822208283 606216743 /nfs/dbraw/zinc/21/67/43/606216743.db2.gz KKMFIRBPHUZVDQ-UHFFFAOYSA-N -2 3 392.305 0.644 20 0 GCADHL Cc1cc(=NC(=O)c2cc(-c3nn[n-]n3)cn2C)nc2nc(C(F)(F)F)[n-]n21 ZINC000822208283 606216744 /nfs/dbraw/zinc/21/67/44/606216744.db2.gz KKMFIRBPHUZVDQ-UHFFFAOYSA-N -2 3 392.305 0.644 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000822645777 606408117 /nfs/dbraw/zinc/40/81/17/606408117.db2.gz OKVCBWJAUDXARG-UHFFFAOYSA-N -2 3 387.425 0.633 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCCc2ccccc21 ZINC000822645777 606408119 /nfs/dbraw/zinc/40/81/19/606408119.db2.gz OKVCBWJAUDXARG-UHFFFAOYSA-N -2 3 387.425 0.633 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000822645641 606408334 /nfs/dbraw/zinc/40/83/34/606408334.db2.gz IRDDFVIZMVMEMF-UHFFFAOYSA-N -2 3 393.454 0.300 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000822645641 606408336 /nfs/dbraw/zinc/40/83/36/606408336.db2.gz IRDDFVIZMVMEMF-UHFFFAOYSA-N -2 3 393.454 0.300 20 0 GCADHL Cn1nccc1S(=O)(=O)[N-]c1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822710032 606605794 /nfs/dbraw/zinc/60/57/94/606605794.db2.gz VMHPPXVZEAHSFW-UHFFFAOYSA-N -2 3 386.401 0.041 20 0 GCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000819971885 606620947 /nfs/dbraw/zinc/62/09/47/606620947.db2.gz VWKDTKWTMQZPAP-UHFFFAOYSA-N -3 3 380.390 0.645 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1OC ZINC000821668047 606708574 /nfs/dbraw/zinc/70/85/74/606708574.db2.gz MMICULLWEYYKHH-UHFFFAOYSA-N -2 3 393.385 0.196 20 0 GCADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000819789549 606708703 /nfs/dbraw/zinc/70/87/03/606708703.db2.gz TWJJSFVXUHSRQP-UHFFFAOYSA-N -2 3 376.402 0.384 20 0 GCADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822035685 606709343 /nfs/dbraw/zinc/70/93/43/606709343.db2.gz YHCRHGDXDKCVAB-UHFFFAOYSA-N -3 3 381.349 0.547 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000822622728 606709893 /nfs/dbraw/zinc/70/98/93/606709893.db2.gz HZYQXRWLFMAFCB-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000821700236 606750935 /nfs/dbraw/zinc/75/09/35/606750935.db2.gz HZVHXOIVOYGXNS-UHFFFAOYSA-N -2 3 375.385 0.967 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(CC(=O)[O-])CC1 ZINC000821700236 606750937 /nfs/dbraw/zinc/75/09/37/606750937.db2.gz HZVHXOIVOYGXNS-UHFFFAOYSA-N -2 3 375.385 0.967 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000821667022 606861050 /nfs/dbraw/zinc/86/10/50/606861050.db2.gz QPSCUKBPFXNVAR-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000821667022 606861053 /nfs/dbraw/zinc/86/10/53/606861053.db2.gz QPSCUKBPFXNVAR-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL O=S(=O)([N-]CCCN1CCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572948 606864838 /nfs/dbraw/zinc/86/48/38/606864838.db2.gz OZUPBPVIIAQCJH-UHFFFAOYSA-N -2 3 388.400 0.146 20 0 GCADHL C[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820262816 606885928 /nfs/dbraw/zinc/88/59/28/606885928.db2.gz ZPPAPNBEOAHHDX-VIFPVBQESA-N -2 3 388.400 0.144 20 0 GCADHL CNC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000821631454 606888156 /nfs/dbraw/zinc/88/81/56/606888156.db2.gz JNFJLZYBPFTMPW-UHFFFAOYSA-N -2 3 386.384 0.482 20 0 GCADHL CC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000820853402 606888646 /nfs/dbraw/zinc/88/86/46/606888646.db2.gz LQWIEARKPVCGAT-CYBMUJFWSA-N -2 3 375.357 0.765 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nnc2n1CCC2 ZINC000820438476 606889821 /nfs/dbraw/zinc/88/98/21/606889821.db2.gz QHUXVGPADSVWPM-SSDOTTSWSA-N -2 3 396.383 0.722 20 0 GCADHL O=S(=O)([N-]CCOC[C@H]1CCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578210 606892658 /nfs/dbraw/zinc/89/26/58/606892658.db2.gz JYNNKEGKEHXOGS-SNVBAGLBSA-N -2 3 389.384 0.619 20 0 GCADHL O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572191 606896014 /nfs/dbraw/zinc/89/60/14/606896014.db2.gz DHDVLLJHMKUVNJ-SNVBAGLBSA-N -2 3 382.356 0.550 20 0 GCADHL Cc1c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cnn1-c1ccccn1 ZINC000822129239 607002341 /nfs/dbraw/zinc/00/23/41/607002341.db2.gz KAERQZCXGLZTIL-UHFFFAOYSA-N -2 3 386.401 0.290 20 0 GCADHL C[C@@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[S@](C)=O ZINC000820240758 607006405 /nfs/dbraw/zinc/00/64/05/607006405.db2.gz DDRMNIRMUSYYIR-GZADNHSOSA-N -2 3 379.414 0.580 20 0 GCADHL O=S(=O)([N-]C[C@H]1CCCS1(=O)=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572151 607006706 /nfs/dbraw/zinc/00/67/06/607006706.db2.gz CMCMCLVYCWRKLQ-MRVPVSSYSA-N -2 3 393.397 0.000 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820444336 607018160 /nfs/dbraw/zinc/01/81/60/607018160.db2.gz IPEGAESNJRLWTC-ZWNOBZJWSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820444336 607018161 /nfs/dbraw/zinc/01/81/61/607018161.db2.gz IPEGAESNJRLWTC-ZWNOBZJWSA-N -2 3 396.429 0.108 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820214588 607082402 /nfs/dbraw/zinc/08/24/02/607082402.db2.gz KAAQUOUGVXJJPA-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1nccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820214588 607082403 /nfs/dbraw/zinc/08/24/03/607082403.db2.gz KAAQUOUGVXJJPA-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000820111603 607083780 /nfs/dbraw/zinc/08/37/80/607083780.db2.gz BUMVZSBXUUXICK-UHFFFAOYSA-N -2 3 382.446 0.725 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OCC(F)(F)F ZINC000820445526 607099574 /nfs/dbraw/zinc/09/95/74/607099574.db2.gz QSYORVPPFTUTPR-ZETCQYMHSA-N -2 3 394.335 0.144 20 0 GCADHL C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OCC(F)(F)F ZINC000820445526 607099575 /nfs/dbraw/zinc/09/95/75/607099575.db2.gz QSYORVPPFTUTPR-ZETCQYMHSA-N -2 3 394.335 0.144 20 0 GCADHL O=C([O-])C1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)Cc2ccccc2C1 ZINC000823032135 607103459 /nfs/dbraw/zinc/10/34/59/607103459.db2.gz OIEJTMKJVBHWGW-UHFFFAOYSA-N -2 3 379.376 0.984 20 0 GCADHL Cc1nc(SCC(=O)N2CCOC[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454048 607109205 /nfs/dbraw/zinc/10/92/05/607109205.db2.gz RVBJPBYXLUAFBE-NSHDSACASA-N -2 3 392.441 0.591 20 0 GCADHL Cc1nc(SCC(=O)N2CCOC[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454048 607109206 /nfs/dbraw/zinc/10/92/06/607109206.db2.gz RVBJPBYXLUAFBE-NSHDSACASA-N -2 3 392.441 0.591 20 0 GCADHL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821920077 607223746 /nfs/dbraw/zinc/22/37/46/607223746.db2.gz MAJQMVLCJGUFHP-UHFFFAOYSA-N -2 3 376.402 0.532 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C(F)F)n1 ZINC000826358791 607843119 /nfs/dbraw/zinc/84/31/19/607843119.db2.gz IRQRXLZZDXFICF-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C(F)F)n1 ZINC000826358791 607843120 /nfs/dbraw/zinc/84/31/20/607843120.db2.gz IRQRXLZZDXFICF-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C(F)F)n1 ZINC000826358936 607843131 /nfs/dbraw/zinc/84/31/31/607843131.db2.gz OJWIQKBBBXPESN-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C(F)F)n1 ZINC000826358936 607843132 /nfs/dbraw/zinc/84/31/32/607843132.db2.gz OJWIQKBBBXPESN-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824047251 607923318 /nfs/dbraw/zinc/92/33/18/607923318.db2.gz ZANYIFWPEZCIGH-NSHDSACASA-N -2 3 379.442 0.875 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824047251 607923319 /nfs/dbraw/zinc/92/33/19/607923319.db2.gz ZANYIFWPEZCIGH-NSHDSACASA-N -2 3 379.442 0.875 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236614 607987892 /nfs/dbraw/zinc/98/78/92/607987892.db2.gz UNAOSCIEZLFCBZ-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236614 607987893 /nfs/dbraw/zinc/98/78/93/607987893.db2.gz UNAOSCIEZLFCBZ-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826157808 608010664 /nfs/dbraw/zinc/01/06/64/608010664.db2.gz MXGYKEDSBWOAAI-UHFFFAOYSA-N -2 3 375.794 0.242 20 0 GCADHL COCCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826157808 608010665 /nfs/dbraw/zinc/01/06/65/608010665.db2.gz MXGYKEDSBWOAAI-UHFFFAOYSA-N -2 3 375.794 0.242 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825914410 608011090 /nfs/dbraw/zinc/01/10/90/608011090.db2.gz DLAHXEFTPGSWAM-UHFFFAOYSA-N -2 3 379.320 0.981 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825914410 608011091 /nfs/dbraw/zinc/01/10/91/608011091.db2.gz DLAHXEFTPGSWAM-UHFFFAOYSA-N -2 3 379.320 0.981 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824737643 608075867 /nfs/dbraw/zinc/07/58/67/608075867.db2.gz JQVCSVCLWFLCPO-GHMZBOCLSA-N -2 3 381.414 0.117 20 0 GCADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419935 608075901 /nfs/dbraw/zinc/07/59/01/608075901.db2.gz RTCGVVHKUROOQO-UHFFFAOYSA-N -2 3 381.361 0.967 20 0 GCADHL O=C(CSCC(F)(F)F)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419935 608075902 /nfs/dbraw/zinc/07/59/02/608075902.db2.gz RTCGVVHKUROOQO-UHFFFAOYSA-N -2 3 381.361 0.967 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2nsnc2c1 ZINC000826450304 608141327 /nfs/dbraw/zinc/14/13/27/608141327.db2.gz GAFRHYAGMDECMO-UHFFFAOYSA-N -2 3 387.406 0.990 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2nsnc2c1 ZINC000826450304 608141328 /nfs/dbraw/zinc/14/13/28/608141328.db2.gz GAFRHYAGMDECMO-UHFFFAOYSA-N -2 3 387.406 0.990 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000826393212 608220908 /nfs/dbraw/zinc/22/09/08/608220908.db2.gz HWUVUUHLLYZJHU-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000826393212 608220909 /nfs/dbraw/zinc/22/09/09/608220909.db2.gz HWUVUUHLLYZJHU-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)ccc1F ZINC000825559922 608304994 /nfs/dbraw/zinc/30/49/94/608304994.db2.gz LNXLWJOBKTYZEV-UHFFFAOYSA-N -2 3 381.349 0.706 20 0 GCADHL CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000825845668 608305594 /nfs/dbraw/zinc/30/55/94/608305594.db2.gz KNNCTZBJZAJFAP-UHFFFAOYSA-N -2 3 396.820 0.746 20 0 GCADHL CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)s1 ZINC000823988129 608306888 /nfs/dbraw/zinc/30/68/88/608306888.db2.gz DCXQRHOQSKQVIX-LURJTMIESA-N -2 3 382.431 0.649 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cn1C ZINC000378434805 608390771 /nfs/dbraw/zinc/39/07/71/608390771.db2.gz MCJFIYZPCHRVEW-UHFFFAOYSA-N -2 3 375.414 0.708 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OC1CCCC1 ZINC000824633481 608476012 /nfs/dbraw/zinc/47/60/12/608476012.db2.gz ONBMJJSBJSMPGT-SNVBAGLBSA-N -2 3 380.430 0.524 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OC1CCCC1 ZINC000824633481 608476014 /nfs/dbraw/zinc/47/60/14/608476014.db2.gz ONBMJJSBJSMPGT-SNVBAGLBSA-N -2 3 380.430 0.524 20 0 GCADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(N)=O)c1 ZINC000825879088 608528204 /nfs/dbraw/zinc/52/82/04/608528204.db2.gz GZRQOSGHBMPWTD-UHFFFAOYSA-N -2 3 387.425 0.832 20 0 GCADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(N)=O)c1 ZINC000825879088 608528206 /nfs/dbraw/zinc/52/82/06/608528206.db2.gz GZRQOSGHBMPWTD-UHFFFAOYSA-N -2 3 387.425 0.832 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ncn(-c2ccccc2)n1 ZINC000826450434 608589238 /nfs/dbraw/zinc/58/92/38/608589238.db2.gz MEIXVYYSEINTIG-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ncn(-c2ccccc2)n1 ZINC000826450434 608589240 /nfs/dbraw/zinc/58/92/40/608589240.db2.gz MEIXVYYSEINTIG-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825658243 608820092 /nfs/dbraw/zinc/82/00/92/608820092.db2.gz CFWYYZZMKLCURX-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825658243 608820094 /nfs/dbraw/zinc/82/00/94/608820094.db2.gz CFWYYZZMKLCURX-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)nc1C ZINC000825804525 608822505 /nfs/dbraw/zinc/82/25/05/608822505.db2.gz CLHMWSZEKKIULY-HJWRWDBZSA-N -2 3 387.425 0.910 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)nc1C ZINC000825804525 608822507 /nfs/dbraw/zinc/82/25/07/608822507.db2.gz CLHMWSZEKKIULY-HJWRWDBZSA-N -2 3 387.425 0.910 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CSCCS1 ZINC000826449972 609139999 /nfs/dbraw/zinc/13/99/99/609139999.db2.gz RHLKIRXJBITSFN-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CSCCS1 ZINC000826449972 609140001 /nfs/dbraw/zinc/14/00/01/609140001.db2.gz RHLKIRXJBITSFN-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826364722 609255253 /nfs/dbraw/zinc/25/52/53/609255253.db2.gz IFCIYTLRPNORLG-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826364722 609255255 /nfs/dbraw/zinc/25/52/55/609255255.db2.gz IFCIYTLRPNORLG-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825390700 609257344 /nfs/dbraw/zinc/25/73/44/609257344.db2.gz KRZJCJFEVDATBE-ZDUSSCGKSA-N -2 3 379.446 0.148 20 0 GCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449850 609257880 /nfs/dbraw/zinc/25/78/80/609257880.db2.gz MGACYFXWIQSAEP-KGLIPLIRSA-N -2 3 392.441 0.070 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cn1 ZINC000826362388 609274024 /nfs/dbraw/zinc/27/40/24/609274024.db2.gz QFBSINLSSCCJFY-UHFFFAOYSA-N -2 3 389.376 0.726 20 0 GCADHL O=S(=O)([N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1c[nH]cn1 ZINC000826492878 609274903 /nfs/dbraw/zinc/27/49/03/609274903.db2.gz JIYILNDOTRRJSJ-UHFFFAOYSA-N -2 3 375.349 0.715 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824747244 609366233 /nfs/dbraw/zinc/36/62/33/609366233.db2.gz ZKZJSESMQKNHEY-MNOVXSKESA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824747244 609366236 /nfs/dbraw/zinc/36/62/36/609366236.db2.gz ZKZJSESMQKNHEY-MNOVXSKESA-N -2 3 381.414 0.259 20 0 GCADHL CC[C@@]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)(C(N)=O)C(C)C ZINC000825146548 609401664 /nfs/dbraw/zinc/40/16/64/609401664.db2.gz CVGLBTQFVLXGLJ-AWEZNQCLSA-N -2 3 388.400 0.713 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825643397 609406305 /nfs/dbraw/zinc/40/63/05/609406305.db2.gz NQAQHPBITLQRHG-UHFFFAOYSA-N -2 3 388.409 0.708 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825643397 609406308 /nfs/dbraw/zinc/40/63/08/609406308.db2.gz NQAQHPBITLQRHG-UHFFFAOYSA-N -2 3 388.409 0.708 20 0 GCADHL Cn1c(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)nnc1C1CC1 ZINC000826355169 609437606 /nfs/dbraw/zinc/43/76/06/609437606.db2.gz NFSKUCNZVUYJPP-UHFFFAOYSA-N -2 3 396.383 0.629 20 0 GCADHL COCCOc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000826162449 609469181 /nfs/dbraw/zinc/46/91/81/609469181.db2.gz CNAYDRYOGBTRSQ-UHFFFAOYSA-N -2 3 379.402 0.724 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000826162449 609469183 /nfs/dbraw/zinc/46/91/83/609469183.db2.gz CNAYDRYOGBTRSQ-UHFFFAOYSA-N -2 3 379.402 0.724 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccnn1C ZINC000826162599 609469382 /nfs/dbraw/zinc/46/93/82/609469382.db2.gz JSRPHIOPRZHYSD-UHFFFAOYSA-N -2 3 379.402 0.426 20 0 GCADHL Cc1nnc2n1C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000826337058 609500211 /nfs/dbraw/zinc/50/02/11/609500211.db2.gz ADHGZLQHZPEMOR-VIFPVBQESA-N -2 3 396.383 0.338 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000826393195 609530940 /nfs/dbraw/zinc/53/09/40/609530940.db2.gz HJLBKDKLKKNWIZ-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000826393195 609530942 /nfs/dbraw/zinc/53/09/42/609530942.db2.gz HJLBKDKLKKNWIZ-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)c1 ZINC000064467949 638434952 /nfs/dbraw/zinc/43/49/52/638434952.db2.gz HHGQUYQUJBMKMS-UHFFFAOYSA-N -2 3 387.414 0.357 20 0 GCADHL CC(C)c1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000057124938 638617733 /nfs/dbraw/zinc/61/77/33/638617733.db2.gz UKPXGQOVENWPTO-GFCCVEGCSA-N -2 3 375.472 0.490 20 0 GCADHL O=C([O-])[C@H]1CCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000261761651 638667487 /nfs/dbraw/zinc/66/74/87/638667487.db2.gz ICBZDLNADITPFN-ZETCQYMHSA-N -2 3 397.272 0.722 20 0 GCADHL CCCc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000057124950 639593656 /nfs/dbraw/zinc/59/36/56/639593656.db2.gz SOPZOATUGNUHMJ-GFCCVEGCSA-N -2 3 375.472 0.319 20 0 GCADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 ZINC000063877967 639639797 /nfs/dbraw/zinc/63/97/97/639639797.db2.gz DUBZVOBZJXZZQG-UHFFFAOYSA-N -2 3 379.460 0.013 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C1CCCC1 ZINC000029048566 640060529 /nfs/dbraw/zinc/06/05/29/640060529.db2.gz YLQFZMKIPQRQDC-UHFFFAOYSA-N -2 3 387.483 0.627 20 0 GCADHL CC(=O)CCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000755831899 640475575 /nfs/dbraw/zinc/47/55/75/640475575.db2.gz KRFZFRSKIYMDAO-UHFFFAOYSA-N -2 3 380.419 0.761 20 0 GCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(N)=O ZINC000761309590 640592182 /nfs/dbraw/zinc/59/21/82/640592182.db2.gz RNYGUINHIHSULJ-SSDOTTSWSA-N -2 3 383.220 0.919 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@]23CCOC3)cc1F ZINC000764783205 640654848 /nfs/dbraw/zinc/65/48/48/640654848.db2.gz JIIXRUPCVMULHN-IINYFYTJSA-N -2 3 392.430 0.429 20 0 GCADHL CSc1nc(C)c(CCC(=O)N2CCSC[C@@H]2c2nnn[n-]2)c(=O)[n-]1 ZINC000776566819 641102424 /nfs/dbraw/zinc/10/24/24/641102424.db2.gz YCGKPRZMHAQRPX-SNVBAGLBSA-N -2 3 381.487 0.975 20 0 GCADHL CSc1nc(C)c(CCC(=O)N2CCSC[C@@H]2c2nn[n-]n2)c(=O)[n-]1 ZINC000776566819 641102433 /nfs/dbraw/zinc/10/24/33/641102433.db2.gz YCGKPRZMHAQRPX-SNVBAGLBSA-N -2 3 381.487 0.975 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776587045 641105031 /nfs/dbraw/zinc/10/50/31/641105031.db2.gz HSBAFCNTGWBJCV-MRVPVSSYSA-N -2 3 378.790 0.622 20 0 GCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776589912 641105516 /nfs/dbraw/zinc/10/55/16/641105516.db2.gz QKJONTPITBPUTC-VIFPVBQESA-N -2 3 379.337 0.852 20 0 GCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776612246 641107110 /nfs/dbraw/zinc/10/71/10/641107110.db2.gz BUGNRWNEINQDEG-XVKPBYJWSA-N -2 3 380.806 0.414 20 0 GCADHL O=C([O-])CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776633552 641108887 /nfs/dbraw/zinc/10/88/87/641108887.db2.gz PGZZXQYJBSOSAU-LLVKDONJSA-N -2 3 377.850 0.579 20 0 GCADHL CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896079 641297289 /nfs/dbraw/zinc/29/72/89/641297289.db2.gz ICGKXHTZTZUKGR-UHFFFAOYSA-N -2 3 382.435 0.817 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccco2)cc1F ZINC000784897761 641298176 /nfs/dbraw/zinc/29/81/76/641298176.db2.gz GQTLSAQUTSEJJA-UHFFFAOYSA-N -2 3 376.387 0.838 20 0 GCADHL COCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898857 641298191 /nfs/dbraw/zinc/29/81/91/641298191.db2.gz JFWNWBLCJQLATO-UHFFFAOYSA-N -2 3 382.435 0.675 20 0 GCADHL CCO[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899250 641298507 /nfs/dbraw/zinc/29/85/07/641298507.db2.gz UGRVJLDGKMZZEQ-LBPRGKRZSA-N -2 3 382.435 0.817 20 0 GCADHL CC(=O)C[C@H]([N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)[O-] ZINC000787934622 641358873 /nfs/dbraw/zinc/35/88/73/641358873.db2.gz JOSPHLOYIMGDHP-LURJTMIESA-N -2 3 389.860 0.516 20 0 GCADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CC3)c1 ZINC000871923082 641461740 /nfs/dbraw/zinc/46/17/40/641461740.db2.gz HGNJKJBDFCCYDI-SNVBAGLBSA-N -2 3 394.280 0.970 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C[C@H]2CCCOC2)cc1F ZINC000796777684 641548442 /nfs/dbraw/zinc/54/84/42/641548442.db2.gz OMXSBENPCREYEU-SNVBAGLBSA-N -2 3 394.446 0.819 20 0 GCADHL COc1ccccc1CO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000799092030 641601406 /nfs/dbraw/zinc/60/14/06/641601406.db2.gz YOMQDNBTOXOOQO-UHFFFAOYSA-N -2 3 384.186 0.968 20 0 GCADHL CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]n2c(=O)[n-][nH]c2=O)c1 ZINC000816732841 641864250 /nfs/dbraw/zinc/86/42/50/641864250.db2.gz XSHVZUSBPPSEJN-UHFFFAOYSA-N -2 3 389.821 0.756 20 0 GCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000819934662 641946576 /nfs/dbraw/zinc/94/65/76/641946576.db2.gz GNFMNHGPBJRASW-DEOSSOPVSA-N -2 3 385.467 0.658 20 0 GCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000825679748 642051558 /nfs/dbraw/zinc/05/15/58/642051558.db2.gz DAENTPQHJVWJEJ-WKEGUHRASA-N -3 3 375.357 0.923 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C(N)=O ZINC000826233341 642056868 /nfs/dbraw/zinc/05/68/68/642056868.db2.gz CUZLNVZUFSJUDJ-UHFFFAOYSA-N -2 3 382.793 0.451 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C(N)=O ZINC000826233341 642056874 /nfs/dbraw/zinc/05/68/74/642056874.db2.gz CUZLNVZUFSJUDJ-UHFFFAOYSA-N -2 3 382.793 0.451 20 0 GCADHL C[C@H](CC(N)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000827398178 642075626 /nfs/dbraw/zinc/07/56/26/642075626.db2.gz SXOSKUZOUOTIGY-RXMQYKEDSA-N -2 3 383.195 0.829 20 0 GCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000829193244 642112055 /nfs/dbraw/zinc/11/20/55/642112055.db2.gz UUEGWGMJYCVBDM-YPMHNXCESA-N -2 3 382.360 0.820 20 0 GCADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000830135944 642132519 /nfs/dbraw/zinc/13/25/19/642132519.db2.gz NXBVKHWYHUTANS-LURJTMIESA-N -2 3 379.309 0.681 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])nc1Cl ZINC000837290890 642270017 /nfs/dbraw/zinc/27/00/17/642270017.db2.gz HBSMJNSJANNHOL-ZETCQYMHSA-N -2 3 382.826 0.330 20 0 GCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837293692 642270946 /nfs/dbraw/zinc/27/09/46/642270946.db2.gz OGAUSBYKRZBTFH-QMMMGPOBSA-N -2 3 391.789 0.951 20 0 GCADHL COC(=O)c1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c1 ZINC000837296634 642271353 /nfs/dbraw/zinc/27/13/53/642271353.db2.gz QHQLNODMNAFPHC-MRVPVSSYSA-N -2 3 384.179 0.937 20 0 GCADHL Cn1ncc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1 ZINC000840891864 642287669 /nfs/dbraw/zinc/28/76/69/642287669.db2.gz UXEIIWAOAHONOH-UHFFFAOYSA-N -2 3 393.219 0.780 20 0 GCADHL CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CC2CCOCC2)C(=O)[O-])s1 ZINC000844787415 642409382 /nfs/dbraw/zinc/40/93/82/642409382.db2.gz WOKIVTFKJWTNBB-JTQLQIEISA-N -2 3 377.444 0.650 20 0 GCADHL CS(=O)(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000844895292 642418878 /nfs/dbraw/zinc/41/88/78/642418878.db2.gz VFGQZMAINLGXMH-QMMMGPOBSA-N -2 3 398.409 0.365 20 0 GCADHL CS(=O)(=O)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000844897475 642419970 /nfs/dbraw/zinc/41/99/70/642419970.db2.gz QMZORYCEHSZDMS-UHFFFAOYSA-N -2 3 383.394 0.766 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000848676460 642549734 /nfs/dbraw/zinc/54/97/34/642549734.db2.gz URJPQSVXNGWQRW-SECBINFHSA-N -3 3 377.346 0.375 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000848676093 642549935 /nfs/dbraw/zinc/54/99/35/642549935.db2.gz NYCVUBAWSTZXEL-RNCFNFMXSA-N -2 3 375.374 0.689 20 0 GCADHL CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c1nccs1 ZINC000848964279 642598530 /nfs/dbraw/zinc/59/85/30/642598530.db2.gz NACZACLHSSLKEX-SECBINFHSA-N -2 3 397.500 0.146 20 0 GCADHL Cc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)[N-]CC2(C)OCCO2)s1 ZINC000848965426 642603134 /nfs/dbraw/zinc/60/31/34/642603134.db2.gz OWDYHRAYUAGRNY-UHFFFAOYSA-N -2 3 399.516 0.266 20 0 GCADHL Cn1nnc(C[N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)n1 ZINC000398107681 677371898 /nfs/dbraw/zinc/37/18/98/677371898.db2.gz WCGDOLROLFMQQY-UHFFFAOYSA-N -2 3 376.192 0.149 20 0 GCADHL Cc1cc(C(=O)N2CCN(CC(C)(C)O)C[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000275411946 1184657224 /nfs/dbraw/zinc/65/72/24/1184657224.db2.gz GZEHKTQWNCTIJF-LLVKDONJSA-N -2 3 375.429 0.662 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655601382 1184731609 /nfs/dbraw/zinc/73/16/09/1184731609.db2.gz KTJRCWNNPHWDHC-GXFFZTMASA-N -2 3 396.425 0.165 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)[C@H](C)Oc2ccc(F)cc2)o1 ZINC000031541195 1184758435 /nfs/dbraw/zinc/75/84/35/1184758435.db2.gz KXEBNNHUQFHZCQ-VIFPVBQESA-N -2 3 385.373 0.555 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccco2)cc1 ZINC000064939677 1185249145 /nfs/dbraw/zinc/24/91/45/1185249145.db2.gz TUXGGPXGHFYSRN-UHFFFAOYSA-N -2 3 380.426 0.651 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000430983449 1186095611 /nfs/dbraw/zinc/09/56/11/1186095611.db2.gz FBHWCOKEJUKYLV-UHFFFAOYSA-N -2 3 381.366 0.488 20 0 GCADHL CCOC(=O)c1[nH]c(=O)n(-c2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1[O-] ZINC000278059842 1186763442 /nfs/dbraw/zinc/76/34/42/1186763442.db2.gz IUZDJWQOUOGUTH-GFCCVEGCSA-N -2 3 385.398 0.445 20 0 GCADHL CCOC(=O)c1[nH]c(=O)n(-c2ccc([N-]S(=O)(=O)CC)c(OC)c2)c1[O-] ZINC000278059845 1186763472 /nfs/dbraw/zinc/76/34/72/1186763472.db2.gz IUZDJWQOUOGUTH-LBPRGKRZSA-N -2 3 385.398 0.445 20 0 GCADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2c(C(=O)OC)c[n-]c2C(=O)OC)CC1 ZINC000414379503 1187874908 /nfs/dbraw/zinc/87/49/08/1187874908.db2.gz GWNZXJKNIFHECK-UHFFFAOYSA-N -2 3 388.398 0.815 20 0 GCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)[n-]1 ZINC000414454733 1194230202 /nfs/dbraw/zinc/23/02/02/1194230202.db2.gz OUKHETIDPNBVEU-UHFFFAOYSA-N -2 3 386.361 0.555 20 0 GCADHL COC(=O)[C@@H](CNC(=O)c1cnc([O-])n(C)c1=O)Cc1ccc([O-])c(F)c1 ZINC000422046422 1194379772 /nfs/dbraw/zinc/37/97/72/1194379772.db2.gz SVVKJJBQKNCAFC-SNVBAGLBSA-N -2 3 379.344 0.092 20 0 GCADHL COC(=O)CCN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[C@H](C)C1 ZINC000271755844 1194410284 /nfs/dbraw/zinc/41/02/84/1194410284.db2.gz UNVWBACBSOHRCH-LLVKDONJSA-N -2 3 389.412 0.454 20 0 GCADHL CC(C)(CCNC(=O)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000424489604 1194816421 /nfs/dbraw/zinc/81/64/21/1194816421.db2.gz RBSGZEVZODOWLX-UHFFFAOYSA-N -2 3 391.424 0.294 20 0 GCADHL NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1 ZINC000509555273 1195253676 /nfs/dbraw/zinc/25/36/76/1195253676.db2.gz ISPZMNPBQVJTIB-UHFFFAOYSA-N -2 3 398.368 0.954 20 0 GCADHL Cc1cc(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265827896 1199515582 /nfs/dbraw/zinc/51/55/82/1199515582.db2.gz PKZFWBMCGMUUNI-VXGBXAGGSA-N -2 3 375.429 0.974 20 0 GCADHL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000673546598 1199777887 /nfs/dbraw/zinc/77/78/87/1199777887.db2.gz SSUSTWGMJQHHRD-UHFFFAOYSA-N -2 3 395.441 0.402 20 0 GCADHL COCC(=O)Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21 ZINC000148835070 1205759838 /nfs/dbraw/zinc/75/98/38/1205759838.db2.gz RSTFADITBLGXDK-UHFFFAOYSA-N -3 3 391.379 0.624 20 0 GCADHL CC(C)(C)OC(=O)N[C@H](Cc1c[nH]cn1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001177091325 1205762015 /nfs/dbraw/zinc/76/20/15/1205762015.db2.gz BHNDRXSDSILQBG-GFCCVEGCSA-N -2 3 390.377 0.920 20 0 GCADHL O=C(CNC(=O)c1cnccc1C(F)(F)F)NCCCCP(=O)([O-])[O-] ZINC001177752329 1205776208 /nfs/dbraw/zinc/77/62/08/1205776208.db2.gz PFGVIAOYVGOBLX-UHFFFAOYSA-N -2 3 383.263 0.904 20 0 GCADHL CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCCCCP(=O)([O-])[O-])CC1 ZINC001179746631 1205814317 /nfs/dbraw/zinc/81/43/17/1205814317.db2.gz KUBHLPMDIMCUIR-UHFFFAOYSA-N -2 3 380.378 0.823 20 0 GCADHL Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2[n-]c1=S ZINC001180029090 1205817147 /nfs/dbraw/zinc/81/71/47/1205817147.db2.gz YONNBIKATBWNRV-LLVKDONJSA-N -2 3 398.448 0.727 20 0 GCADHL CC(C)(C)OC(=O)NCCOCCOCC(=O)NCCCCP(=O)([O-])[O-] ZINC001181146931 1205839730 /nfs/dbraw/zinc/83/97/30/1205839730.db2.gz BXTQSXDOOKUPJN-UHFFFAOYSA-N -2 3 398.393 0.618 20 0 GCADHL C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])N(c1ccccc1)S(C)(=O)=O ZINC001182101406 1205857293 /nfs/dbraw/zinc/85/72/93/1205857293.db2.gz RKJQYNZDPBLXLI-LBPRGKRZSA-N -2 3 378.387 0.915 20 0 GCADHL CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001183311072 1205891028 /nfs/dbraw/zinc/89/10/28/1205891028.db2.gz YFDAWUDOOJRCRI-NSHDSACASA-N -2 3 378.362 0.887 20 0 GCADHL Cn1cnc2c1nc(Cl)nc2[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185573921 1205924444 /nfs/dbraw/zinc/92/44/44/1205924444.db2.gz QNUGKUPURTVDBJ-UHFFFAOYSA-N -2 3 391.804 0.998 20 0 GCADHL Cn1cnc2c1nc(Cl)nc2[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573921 1205924446 /nfs/dbraw/zinc/92/44/46/1205924446.db2.gz QNUGKUPURTVDBJ-UHFFFAOYSA-N -2 3 391.804 0.998 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnccn1 ZINC001185628303 1205925952 /nfs/dbraw/zinc/92/59/52/1205925952.db2.gz KYZVFCKHDLAVRU-ZDUSSCGKSA-N -2 3 389.397 0.239 20 0 GCADHL COc1cccc(OC)c1NC(=O)C(=O)[N-]C(=N)SCCS(=O)(=O)[O-] ZINC001187485175 1205963524 /nfs/dbraw/zinc/96/35/24/1205963524.db2.gz CXMMZAWQTULOLF-UHFFFAOYSA-N -2 3 391.427 0.314 20 0 GCADHL CCOC(=O)c1ncc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)[n-]1 ZINC001189914307 1206020642 /nfs/dbraw/zinc/02/06/42/1206020642.db2.gz IIJKKAZORJJVKY-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL CCOC(=O)c1nc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)c[n-]1 ZINC001189914307 1206020644 /nfs/dbraw/zinc/02/06/44/1206020644.db2.gz IIJKKAZORJJVKY-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL CCO[C@H]1C[C@@](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)(C(=O)[O-])C1(C)C ZINC000262695657 939065903 /nfs/dbraw/zinc/06/59/03/939065903.db2.gz DMYHBHQEIFKECF-MEDUHNTESA-N -2 3 388.442 0.884 20 0 GCADHL CCO[C@@H]1C[C@@](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)(C(=O)[O-])C1(C)C ZINC000262695653 939065910 /nfs/dbraw/zinc/06/59/10/939065910.db2.gz DMYHBHQEIFKECF-BDJLRTHQSA-N -2 3 388.442 0.884 20 0 GCADHL O=C([O-])C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC001601829909 971061866 /nfs/dbraw/zinc/06/18/66/971061866.db2.gz KZGFWOGSTUGMRG-UHFFFAOYSA-N -2 3 397.453 0.191 20 0 GCADHL CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820206472 945383075 /nfs/dbraw/zinc/38/30/75/945383075.db2.gz MGDDCDNKWNMGLJ-UHFFFAOYSA-N -2 3 391.413 0.811 20 0 GCADHL CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820206472 945383090 /nfs/dbraw/zinc/38/30/90/945383090.db2.gz MGDDCDNKWNMGLJ-UHFFFAOYSA-N -2 3 391.413 0.811 20 0 GCADHL CC1([C@H]2CCCN(Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C2)OCCO1 ZINC001571268487 945598699 /nfs/dbraw/zinc/59/86/99/945598699.db2.gz UAWDGTTYOQBDGI-NSHDSACASA-N -2 3 386.416 0.590 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823994461 946536003 /nfs/dbraw/zinc/53/60/03/946536003.db2.gz IGMAFHYWIJKKNQ-ZDUSSCGKSA-N -2 3 380.430 0.222 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823994461 946536014 /nfs/dbraw/zinc/53/60/14/946536014.db2.gz IGMAFHYWIJKKNQ-ZDUSSCGKSA-N -2 3 380.430 0.222 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866881 946962191 /nfs/dbraw/zinc/96/21/91/946962191.db2.gz NXJIPYFOVAPNQK-GWCFXTLKSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866881 946962201 /nfs/dbraw/zinc/96/22/01/946962201.db2.gz NXJIPYFOVAPNQK-GWCFXTLKSA-N -2 3 377.426 0.818 20 0 GCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1-c1nnn[n-]1 ZINC000825565241 947226250 /nfs/dbraw/zinc/22/62/50/947226250.db2.gz OUHZYZXTHYUTKS-UHFFFAOYSA-N -2 3 377.386 0.876 20 0 GCADHL CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000825565241 947226268 /nfs/dbraw/zinc/22/62/68/947226268.db2.gz OUHZYZXTHYUTKS-UHFFFAOYSA-N -2 3 377.386 0.876 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cn1C ZINC000825845694 947344897 /nfs/dbraw/zinc/34/48/97/947344897.db2.gz LVODTHFIWVNRLA-UHFFFAOYSA-N -2 3 375.414 0.708 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2-c2nn[n-]n2)cn1C ZINC000825846255 947346100 /nfs/dbraw/zinc/34/61/00/947346100.db2.gz UDDRIVYRTCGSNE-UHFFFAOYSA-N -2 3 393.404 0.847 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000826174750 947542903 /nfs/dbraw/zinc/54/29/03/947542903.db2.gz IFMVRQXRJXFSSE-HNNXBMFYSA-N -2 3 379.398 0.331 20 0 GCADHL Cc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1-c1nn[n-]n1 ZINC000826299826 947868994 /nfs/dbraw/zinc/86/89/94/947868994.db2.gz WTMCEWMJLSEZLO-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826299634 947870086 /nfs/dbraw/zinc/87/00/86/947870086.db2.gz NNVGBVZBVHSGMN-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCCOCC[N-]C(=O)C(F)(F)F ZINC000826421847 948268095 /nfs/dbraw/zinc/26/80/95/948268095.db2.gz BWZODPOHWLJBFX-UHFFFAOYSA-N -2 3 387.318 0.648 20 0 GCADHL CC(=O)NCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@H](C)C(=O)[O-] ZINC001602758064 971475257 /nfs/dbraw/zinc/47/52/57/971475257.db2.gz UGXXIUFVWZXUCB-MRVPVSSYSA-N -2 3 381.335 0.858 20 0 GCADHL CC(=O)NCCN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H](C)C(=O)[O-] ZINC001602758066 971475564 /nfs/dbraw/zinc/47/55/64/971475564.db2.gz UGXXIUFVWZXUCB-QMMMGPOBSA-N -2 3 381.335 0.858 20 0 GCADHL CC1(Nc2ccnc(-c3nnn[n-]3)n2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001575853255 949208855 /nfs/dbraw/zinc/20/88/55/949208855.db2.gz MRDYQXCTQMAUKL-UHFFFAOYSA-N -2 3 380.412 0.891 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F ZINC000376783905 971564743 /nfs/dbraw/zinc/56/47/43/971564743.db2.gz BBFOQANPBBHLCP-GFCCVEGCSA-N -2 3 388.417 0.828 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901015 950211604 /nfs/dbraw/zinc/21/16/04/950211604.db2.gz JXOFXIJWWVHZNH-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901015 950211615 /nfs/dbraw/zinc/21/16/15/950211615.db2.gz JXOFXIJWWVHZNH-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575901014 950211673 /nfs/dbraw/zinc/21/16/73/950211673.db2.gz JXOFXIJWWVHZNH-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575901014 950211686 /nfs/dbraw/zinc/21/16/86/950211686.db2.gz JXOFXIJWWVHZNH-GHMZBOCLSA-N -2 3 381.400 0.545 20 0 GCADHL CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC001589713270 950341486 /nfs/dbraw/zinc/34/14/86/950341486.db2.gz KGJCNMHXXCTBSB-SNVBAGLBSA-N -2 3 394.471 0.941 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001573861810 950455366 /nfs/dbraw/zinc/45/53/66/950455366.db2.gz HNUYIOQSINZDJE-OLZOCXBDSA-N -2 3 390.400 0.959 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001573861810 950455383 /nfs/dbraw/zinc/45/53/83/950455383.db2.gz HNUYIOQSINZDJE-OLZOCXBDSA-N -2 3 390.400 0.959 20 0 GCADHL C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001575027506 951158188 /nfs/dbraw/zinc/15/81/88/951158188.db2.gz QYDCLYXAIQBZGH-MRVPVSSYSA-N -2 3 381.356 0.734 20 0 GCADHL C[C@H](CNC(=O)c1ccc2oc(=O)nc-2[n-]1)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001575027506 951158197 /nfs/dbraw/zinc/15/81/97/951158197.db2.gz QYDCLYXAIQBZGH-MRVPVSSYSA-N -2 3 381.356 0.734 20 0 GCADHL O=C(NC[C@@H]1[C@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]21)c1ncccc1[O-] ZINC001571130245 952579531 /nfs/dbraw/zinc/57/95/31/952579531.db2.gz QVHASKWKAMEKCJ-XYYAHUGASA-N -2 3 378.396 0.475 20 0 GCADHL O=C(NC[C@@H]1[C@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]21)c1ncccc1[O-] ZINC001571130245 952579533 /nfs/dbraw/zinc/57/95/33/952579533.db2.gz QVHASKWKAMEKCJ-XYYAHUGASA-N -2 3 378.396 0.475 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC001571136062 952612148 /nfs/dbraw/zinc/61/21/48/952612148.db2.gz LPIPGTAHAIDBBU-RTXFEEFZSA-N -2 3 378.396 0.902 20 0 GCADHL O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ncccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC001571136062 952612151 /nfs/dbraw/zinc/61/21/51/952612151.db2.gz LPIPGTAHAIDBBU-RTXFEEFZSA-N -2 3 378.396 0.902 20 0 GCADHL O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nnn[n-]2)n1 ZINC001571139307 952620450 /nfs/dbraw/zinc/62/04/50/952620450.db2.gz FNSNVNZSHOMUPF-PHIMTYICSA-N -2 3 379.384 0.251 20 0 GCADHL O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H](C1)N2c1cncc(-c2nn[n-]n2)n1 ZINC001571139307 952620453 /nfs/dbraw/zinc/62/04/53/952620453.db2.gz FNSNVNZSHOMUPF-PHIMTYICSA-N -2 3 379.384 0.251 20 0 GCADHL CCc1nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc(-c2nnn[n-]2)n1 ZINC001571170091 952782762 /nfs/dbraw/zinc/78/27/62/952782762.db2.gz CVXRGYRXECWWTC-SNVBAGLBSA-N -2 3 381.400 0.646 20 0 GCADHL CCc1nc(N[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)cc(-c2nn[n-]n2)n1 ZINC001571170091 952782765 /nfs/dbraw/zinc/78/27/65/952782765.db2.gz CVXRGYRXECWWTC-SNVBAGLBSA-N -2 3 381.400 0.646 20 0 GCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171835 952797712 /nfs/dbraw/zinc/79/77/12/952797712.db2.gz XYVLCRWPGZMSDD-MNOVXSKESA-N -2 3 381.400 0.720 20 0 GCADHL C[C@@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171835 952797713 /nfs/dbraw/zinc/79/77/13/952797713.db2.gz XYVLCRWPGZMSDD-MNOVXSKESA-N -2 3 381.400 0.720 20 0 GCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171840 952797870 /nfs/dbraw/zinc/79/78/70/952797870.db2.gz XYVLCRWPGZMSDD-WDEREUQCSA-N -2 3 381.400 0.720 20 0 GCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171840 952797875 /nfs/dbraw/zinc/79/78/75/952797875.db2.gz XYVLCRWPGZMSDD-WDEREUQCSA-N -2 3 381.400 0.720 20 0 GCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174795 952814194 /nfs/dbraw/zinc/81/41/94/952814194.db2.gz IITGWGRKIOIHHU-NSHDSACASA-N -2 3 381.400 0.322 20 0 GCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174795 952814198 /nfs/dbraw/zinc/81/41/98/952814198.db2.gz IITGWGRKIOIHHU-NSHDSACASA-N -2 3 381.400 0.322 20 0 GCADHL O=C(N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ncccc1[O-] ZINC001571176165 952829121 /nfs/dbraw/zinc/82/91/21/952829121.db2.gz MZPCLFRGYSLOAA-NSHDSACASA-N -2 3 381.400 0.546 20 0 GCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178460 952841839 /nfs/dbraw/zinc/84/18/39/952841839.db2.gz JJDPETYGUMZVNX-NSHDSACASA-N -2 3 381.400 0.722 20 0 GCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178460 952841844 /nfs/dbraw/zinc/84/18/44/952841844.db2.gz JJDPETYGUMZVNX-NSHDSACASA-N -2 3 381.400 0.722 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194849 952969468 /nfs/dbraw/zinc/96/94/68/952969468.db2.gz SXNQTQDPRVLHGD-NXEZZACHSA-N -2 3 382.384 0.328 20 0 GCADHL Cc1n[nH]c(C(=O)NCC2CCN(c3ccc(-c4nnn[n-]4)nc3)CC2)c1[O-] ZINC001571226974 953157697 /nfs/dbraw/zinc/15/76/97/953157697.db2.gz YDOZOOJFPLRDKT-UHFFFAOYSA-N -2 3 383.416 0.645 20 0 GCADHL Cc1n[nH]c(C(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nc3)CC2)c1[O-] ZINC001571226974 953157699 /nfs/dbraw/zinc/15/76/99/953157699.db2.gz YDOZOOJFPLRDKT-UHFFFAOYSA-N -2 3 383.416 0.645 20 0 GCADHL O=c1cc(CN[C@H]([C@H]2CCOC2)C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571234946 953207157 /nfs/dbraw/zinc/20/71/57/953207157.db2.gz NMTVPBCHRGQSCI-WRWORJQWSA-N -2 3 384.322 0.672 20 0 GCADHL COc1ccccc1[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])c1noc(C)n1 ZINC000577950324 953698133 /nfs/dbraw/zinc/69/81/33/953698133.db2.gz BZGOMVCHHGXUPV-JSGCOSHPSA-N -2 3 396.425 0.859 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c(F)c1 ZINC000593218900 953749200 /nfs/dbraw/zinc/74/92/00/953749200.db2.gz YQTHLDOEQMEJPS-ZDUSSCGKSA-N -2 3 385.373 0.840 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCN1CC[C@@H](F)C1 ZINC001594891679 954536464 /nfs/dbraw/zinc/53/64/64/954536464.db2.gz XIISZWRSZXCQSF-SCVCMEIPSA-N -2 3 383.342 0.543 20 0 GCADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001594506298 955359951 /nfs/dbraw/zinc/35/99/51/955359951.db2.gz NFTORMCHWMLADQ-GFCCVEGCSA-N -2 3 399.359 0.918 20 0 GCADHL CO[C@](C)(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001593926017 956127406 /nfs/dbraw/zinc/12/74/06/956127406.db2.gz TYVKZGOGIJEAGN-ZDUSSCGKSA-N -2 3 399.252 0.878 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1 ZINC000052025840 957510354 /nfs/dbraw/zinc/51/03/54/957510354.db2.gz HMGFFQKFIPZFNB-UHFFFAOYSA-N -2 3 378.406 0.837 20 0 GCADHL O=C([O-])Cn1cccc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1=O ZINC001574745305 957703478 /nfs/dbraw/zinc/70/34/78/957703478.db2.gz NMEDCLVNRDBVAI-SNVBAGLBSA-N -2 3 389.330 0.464 20 0 GCADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](NC(=O)C3(CC(=O)[O-])CCOCC3)C2)n1 ZINC001594269435 959785516 /nfs/dbraw/zinc/78/55/16/959785516.db2.gz PMVLRKAQACOPQP-CYBMUJFWSA-N -2 3 378.429 0.847 20 0 GCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)oc1C(=O)[O-] ZINC001327617335 961174937 /nfs/dbraw/zinc/17/49/37/961174937.db2.gz RBOJERAFCPPJIJ-QMTHXVAHSA-N -2 3 393.439 0.301 20 0 GCADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cnn3cc(Br)cnc23)CCOC1 ZINC001574639632 962330403 /nfs/dbraw/zinc/33/04/03/962330403.db2.gz APDNXHLHXNGYBM-LLVKDONJSA-N -2 3 391.203 0.014 20 0 GCADHL O=C([O-])C1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000263388671 962546372 /nfs/dbraw/zinc/54/63/72/962546372.db2.gz QDCWGKGRHNQJJA-UHFFFAOYSA-N -2 3 391.396 0.749 20 0 GCADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CCS(=O)(=O)C2)c1F ZINC000321273883 970757664 /nfs/dbraw/zinc/75/76/64/970757664.db2.gz HMVQDRNOPFQMEJ-SSDOTTSWSA-N -2 3 385.822 0.890 20 0 GCADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)CO1 ZINC001606106945 973295386 /nfs/dbraw/zinc/29/53/86/973295386.db2.gz HJJMZFAMLXMQTK-GDBMZVCRSA-N -2 3 376.409 0.947 20 0 GCADHL Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC001605440821 973498097 /nfs/dbraw/zinc/49/80/97/973498097.db2.gz KQVZRYJYDBNXIY-ZCFIWIBFSA-N -2 3 377.220 0.942 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)cc1OC ZINC000630111259 975105534 /nfs/dbraw/zinc/10/55/34/975105534.db2.gz LOOMQTMZJBYWDY-UHFFFAOYSA-N -2 3 382.398 0.990 20 0 GCADHL CC(C)c1ccc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001591941726 976462561 /nfs/dbraw/zinc/46/25/61/976462561.db2.gz FKPCBDGZDOBEED-AAEUAGOBSA-N -2 3 375.381 0.735 20 0 GCADHL CC[C@H](C)[C@H](NC(=O)CN1CCN(C(=O)c2ccccc2[O-])CC1)C(=O)[O-] ZINC000828714961 978987280 /nfs/dbraw/zinc/98/72/80/978987280.db2.gz CBHIAUGNLRFFIE-GUYCJALGSA-N -2 3 377.441 0.766 20 0 GCADHL C[C@](CO)(Cn1cnc2ccccc21)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592734805 979263341 /nfs/dbraw/zinc/26/33/41/979263341.db2.gz YTFOPLVLGCQQAZ-OAHLLOKOSA-N -2 3 379.398 0.187 20 0 GCADHL CC[C@](COC)([N-]S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)[O-] ZINC001595199577 979942338 /nfs/dbraw/zinc/94/23/38/979942338.db2.gz KUAXPXFZYBLKDS-SHACYNPGSA-N -2 3 393.487 0.704 20 0 GCADHL CC[C@@H](CS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)OC ZINC001595203372 979964327 /nfs/dbraw/zinc/96/43/27/979964327.db2.gz QVFQFYYQLRDVTO-GXSJLCMTSA-N -2 3 376.456 0.896 20 0 GCADHL CCOC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001596527516 984343842 /nfs/dbraw/zinc/34/38/42/984343842.db2.gz IHXRPKAXDKGKMI-STQMWFEESA-N -2 3 378.447 0.118 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC(CO)C2)c(F)c1 ZINC001596725979 984980717 /nfs/dbraw/zinc/98/07/17/984980717.db2.gz FFWBAJBFJNGFFQ-UHFFFAOYSA-N -2 3 375.374 0.506 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)OC)C(=O)[O-])c(F)c1 ZINC001596726476 984983638 /nfs/dbraw/zinc/98/36/38/984983638.db2.gz QOZCVBGCPSQKMO-LLVKDONJSA-N -2 3 391.373 0.687 20 0 GCADHL CCOC(=O)c1nc(C2CCN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)n[n-]1 ZINC001596749886 985093073 /nfs/dbraw/zinc/09/30/73/985093073.db2.gz NEOHQPMCOCJRGF-VXGBXAGGSA-N -2 3 395.416 0.360 20 0 GCADHL CCOC(=O)c1nnc(C2CCN(C(=O)NC[C@H]3CCO[C@H]3C(=O)[O-])CC2)[n-]1 ZINC001596749886 985093082 /nfs/dbraw/zinc/09/30/82/985093082.db2.gz NEOHQPMCOCJRGF-VXGBXAGGSA-N -2 3 395.416 0.360 20 0 GCADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2scnc2C(=O)[O-])(C(=O)OC)C1(C)C ZINC001596842297 985529663 /nfs/dbraw/zinc/52/96/63/985529663.db2.gz JHTUXPOPRSQICX-CLAHSXSESA-N -2 3 392.455 0.866 20 0 GCADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)[C@H](O)C(=O)[O-])cc1Cl ZINC001589179258 985548393 /nfs/dbraw/zinc/54/83/93/985548393.db2.gz KQVMXVSXUCAXLF-LLVKDONJSA-N -2 3 382.797 0.940 20 0 GCADHL C[C@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1nnc2ccccc2c1[O-] ZINC001594657000 986913522 /nfs/dbraw/zinc/91/35/22/986913522.db2.gz FXAWHVPSZJBJTH-BXKDBHETSA-N -2 3 390.421 0.830 20 0 GCADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1ccsc1C(=O)[O-] ZINC001589719254 987878079 /nfs/dbraw/zinc/87/80/79/987878079.db2.gz CIMOOYFLPXTPHU-NSHDSACASA-N -2 3 392.455 0.892 20 0 GCADHL CC(C)(C)NS(=O)(=O)C1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001589834910 988313918 /nfs/dbraw/zinc/31/39/18/988313918.db2.gz PIVWLPCKPSQPPB-UHFFFAOYSA-N -2 3 397.500 0.370 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)C(=O)[O-])ccc1F ZINC001589839096 988320255 /nfs/dbraw/zinc/32/02/55/988320255.db2.gz OPWHALJSHWELND-HNNXBMFYSA-N -2 3 376.406 0.468 20 0 GCADHL CC(C)(C)OC(=O)[C@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC001589857387 988413831 /nfs/dbraw/zinc/41/38/31/988413831.db2.gz OHYWDUYNNZJZSH-ZDUSSCGKSA-N -2 3 378.428 0.620 20 0 GCADHL CC(C)(C)OC(=O)N1CC2CC1(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C2 ZINC001589955544 988760968 /nfs/dbraw/zinc/76/09/68/988760968.db2.gz MSLMCMMQPRUOMK-UHFFFAOYSA-N -2 3 386.430 0.786 20 0 GCADHL C[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599871714 989359992 /nfs/dbraw/zinc/35/99/92/989359992.db2.gz MQEWEDHJQYAWNN-LDWIPMOCSA-N -2 3 385.822 0.889 20 0 GCADHL CCn1c(C)cc2[n-]nc(NC(=O)CN3CCC[C@@H](C(=O)[O-])C3=O)c2c1=O ZINC001597842250 989543070 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C[C@@](CO)(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(=O)[O-] ZINC000548684257 531121353 /nfs/dbraw/zinc/12/13/53/531121353.db2.gz YKJKHQDCAGJEHZ-HNNXBMFYSA-N -2 3 390.845 0.976 20 0 GCADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-])C1CC1 ZINC000548868121 531123370 /nfs/dbraw/zinc/12/33/70/531123370.db2.gz SMFWODRADGIKJI-AMIZOPFISA-N -3 3 394.446 0.975 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])OC)c1OC ZINC000551913374 531140155 /nfs/dbraw/zinc/14/01/55/531140155.db2.gz CICXFDBTNZBEQM-VIFPVBQESA-N -2 3 394.833 0.476 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(C(N)=O)s2)cc1F ZINC000433371908 531128934 /nfs/dbraw/zinc/12/89/34/531128934.db2.gz CJAYSRSNVFEAHT-UHFFFAOYSA-N -2 3 394.431 0.553 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(CCC(=O)OC)s2)c(C)o1 ZINC000434268256 531134694 /nfs/dbraw/zinc/13/46/94/531134694.db2.gz CAEUAFYIGRBTTM-UHFFFAOYSA-N -2 3 388.427 0.706 20 0 GCADHL O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccccc1[O-] ZINC000438598043 531154686 /nfs/dbraw/zinc/15/46/86/531154686.db2.gz IXTKCYUOEHGTDC-UHFFFAOYSA-N -2 3 381.376 0.983 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@H]1CC ZINC000554416980 531161846 /nfs/dbraw/zinc/16/18/46/531161846.db2.gz PYKCWSLHLUPSAM-NWDGAFQWSA-N -2 3 390.483 0.859 20 0 GCADHL CC(C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(=O)[O-] ZINC000681577328 531167232 /nfs/dbraw/zinc/16/72/32/531167232.db2.gz RDLACYWKDXPRFP-UHFFFAOYSA-N -3 3 382.435 0.976 20 0 GCADHL O=C([O-])[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000555218773 531167697 /nfs/dbraw/zinc/16/76/97/531167697.db2.gz GAHYTRHZZHYRKC-QMMMGPOBSA-N -2 3 388.389 0.831 20 0 GCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)[C@H]1C(=O)[O-] ZINC000555374539 531169107 /nfs/dbraw/zinc/16/91/07/531169107.db2.gz LSDRFLJXAWZOFD-IINYFYTJSA-N -2 3 388.467 0.611 20 0 GCADHL C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)[C@@H]1C(=O)[O-] ZINC000555374541 531169226 /nfs/dbraw/zinc/16/92/26/531169226.db2.gz LSDRFLJXAWZOFD-YGRLFVJLSA-N -2 3 388.467 0.611 20 0 GCADHL CCC[C@@H](C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)[O-] ZINC000555374566 531169254 /nfs/dbraw/zinc/16/92/54/531169254.db2.gz OJHNYUYFDMNLQB-NSHDSACASA-N -2 3 378.472 0.716 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000682897342 531175647 /nfs/dbraw/zinc/17/56/47/531175647.db2.gz KVDBVMPJTLQKOX-UHFFFAOYSA-N -2 3 390.483 0.860 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(CCC(=O)[O-])C1CC1 ZINC000682897543 531175857 /nfs/dbraw/zinc/17/58/57/531175857.db2.gz OTOSAZUUAWXMBR-UHFFFAOYSA-N -2 3 376.456 0.613 20 0 GCADHL O=C([O-])CCN(C1CC1)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000682897493 531176048 /nfs/dbraw/zinc/17/60/48/531176048.db2.gz NHKCBPMLYULHQJ-UHFFFAOYSA-N -2 3 388.467 0.755 20 0 GCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566119095 531194856 /nfs/dbraw/zinc/19/48/56/531194856.db2.gz QPTMSJHBVGMTLD-RISCZKNCSA-N -2 3 392.499 0.961 20 0 GCADHL CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)s1 ZINC000566066329 531194105 /nfs/dbraw/zinc/19/41/05/531194105.db2.gz MYOLWEJJYWLUNH-UHFFFAOYSA-N -2 3 394.452 0.734 20 0 GCADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566119094 531194382 /nfs/dbraw/zinc/19/43/82/531194382.db2.gz QPTMSJHBVGMTLD-FZMZJTMJSA-N -2 3 392.499 0.961 20 0 GCADHL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737769564 598842075 /nfs/dbraw/zinc/84/20/75/598842075.db2.gz NKIZGBQSBPQIBM-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737769564 598842076 /nfs/dbraw/zinc/84/20/76/598842076.db2.gz NKIZGBQSBPQIBM-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n1 ZINC000735961664 598855272 /nfs/dbraw/zinc/85/52/72/598855272.db2.gz UZRQTTCLBYFTJL-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL CC(C)n1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n1 ZINC000735961664 598855274 /nfs/dbraw/zinc/85/52/74/598855274.db2.gz UZRQTTCLBYFTJL-UHFFFAOYSA-N -2 3 375.414 0.904 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737915860 598856269 /nfs/dbraw/zinc/85/62/69/598856269.db2.gz JCMMBBKAWNZYPH-CYBMUJFWSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737915860 598856271 /nfs/dbraw/zinc/85/62/71/598856271.db2.gz JCMMBBKAWNZYPH-CYBMUJFWSA-N -2 3 381.414 0.008 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1COc2ccccc21 ZINC000738137984 598856554 /nfs/dbraw/zinc/85/65/54/598856554.db2.gz BWNVOBPWOQIKIU-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1COc2ccccc21 ZINC000738137984 598856555 /nfs/dbraw/zinc/85/65/55/598856555.db2.gz BWNVOBPWOQIKIU-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000735733956 598858267 /nfs/dbraw/zinc/85/82/67/598858267.db2.gz DGKGRSNULKQDET-RISCZKNCSA-N -2 3 395.441 0.505 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000735733956 598858269 /nfs/dbraw/zinc/85/82/69/598858269.db2.gz DGKGRSNULKQDET-RISCZKNCSA-N -2 3 395.441 0.505 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736972359 598858497 /nfs/dbraw/zinc/85/84/97/598858497.db2.gz XOFZKAYADYZWOT-RISCZKNCSA-N -2 3 397.457 0.751 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736972359 598858498 /nfs/dbraw/zinc/85/84/98/598858498.db2.gz XOFZKAYADYZWOT-RISCZKNCSA-N -2 3 397.457 0.751 20 0 GCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)c1 ZINC000737438003 598891039 /nfs/dbraw/zinc/89/10/39/598891039.db2.gz XGDXZQLZMRIUBL-LLVKDONJSA-N -2 3 388.409 0.843 20 0 GCADHL Cc1ccnc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)c1 ZINC000737438003 598891040 /nfs/dbraw/zinc/89/10/40/598891040.db2.gz XGDXZQLZMRIUBL-LLVKDONJSA-N -2 3 388.409 0.843 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736912416 598924400 /nfs/dbraw/zinc/92/44/00/598924400.db2.gz AHYKKLBMVMWGSM-UHFFFAOYSA-N -2 3 381.414 0.199 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736912416 598924402 /nfs/dbraw/zinc/92/44/02/598924402.db2.gz AHYKKLBMVMWGSM-UHFFFAOYSA-N -2 3 381.414 0.199 20 0 GCADHL NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000737769439 598924674 /nfs/dbraw/zinc/92/46/74/598924674.db2.gz JYIVIYMDCZKMGX-UHFFFAOYSA-N -2 3 380.411 0.315 20 0 GCADHL Cc1nn2c([n-]nc2SCCCOc2ccc(-c3nn[n-]n3)cc2)nc1=O ZINC000737520265 598971185 /nfs/dbraw/zinc/97/11/85/598971185.db2.gz CXZGBKTYQUZCFN-UHFFFAOYSA-N -2 3 385.413 0.862 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000737299512 598975478 /nfs/dbraw/zinc/97/54/78/598975478.db2.gz RBDAWVSSCFAGAY-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(N)=O)cc1 ZINC000737299512 598975480 /nfs/dbraw/zinc/97/54/80/598975480.db2.gz RBDAWVSSCFAGAY-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736931111 598975894 /nfs/dbraw/zinc/97/58/94/598975894.db2.gz PTMTVAUJTYXCRA-UHFFFAOYSA-N -2 3 399.454 0.276 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736931111 598975896 /nfs/dbraw/zinc/97/58/96/598975896.db2.gz PTMTVAUJTYXCRA-UHFFFAOYSA-N -2 3 399.454 0.276 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000737298876 598976300 /nfs/dbraw/zinc/97/63/00/598976300.db2.gz MHPLTLSWPHYXMT-YPMHNXCESA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@@H]1CCCO1 ZINC000737298876 598976302 /nfs/dbraw/zinc/97/63/02/598976302.db2.gz MHPLTLSWPHYXMT-YPMHNXCESA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000737298519 598976318 /nfs/dbraw/zinc/97/63/18/598976318.db2.gz LMZUMYWCVYCVAW-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)C(C)(C)C ZINC000737298519 598976320 /nfs/dbraw/zinc/97/63/20/598976320.db2.gz LMZUMYWCVYCVAW-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000737299511 599220831 /nfs/dbraw/zinc/22/08/31/599220831.db2.gz RAZJJLIVJZNHOS-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn2ccccc12 ZINC000737299511 599220833 /nfs/dbraw/zinc/22/08/33/599220833.db2.gz RAZJJLIVJZNHOS-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1OC ZINC000821667919 599233230 /nfs/dbraw/zinc/23/32/30/599233230.db2.gz GULQUJCWQPXJLE-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450466 607778322 /nfs/dbraw/zinc/77/83/22/607778322.db2.gz NQGKXMBUNBVXTH-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(Br)cn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450466 607778323 /nfs/dbraw/zinc/77/83/23/607778323.db2.gz NQGKXMBUNBVXTH-UHFFFAOYSA-N -2 3 398.202 0.471 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821088721 607319486 /nfs/dbraw/zinc/31/94/86/607319486.db2.gz UBGXTBDBURQTEL-UHFFFAOYSA-N -2 3 384.487 0.803 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821088721 607319487 /nfs/dbraw/zinc/31/94/87/607319487.db2.gz UBGXTBDBURQTEL-UHFFFAOYSA-N -2 3 384.487 0.803 20 0 GCADHL O=C([O-])[C@H]1CC(C(=O)Nc2n[n-]c(SCCO)n2)=NN1c1ccccc1 ZINC000821479297 598053414 /nfs/dbraw/zinc/05/34/14/598053414.db2.gz WBJZBOBWOQJGSG-LLVKDONJSA-N -2 3 376.398 0.547 20 0 GCADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737173036 598283345 /nfs/dbraw/zinc/28/33/45/598283345.db2.gz FBMOOCJKUSAZJK-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737925075 598307166 /nfs/dbraw/zinc/30/71/66/598307166.db2.gz OHOQUHXGJRISIZ-ZDUSSCGKSA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737925075 598307169 /nfs/dbraw/zinc/30/71/69/598307169.db2.gz OHOQUHXGJRISIZ-ZDUSSCGKSA-N -2 3 381.414 0.261 20 0 GCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737918775 598307254 /nfs/dbraw/zinc/30/72/54/598307254.db2.gz KZFPVDPJJCQPLS-CYBMUJFWSA-N -2 3 381.414 0.261 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737836718 598332193 /nfs/dbraw/zinc/33/21/93/598332193.db2.gz NNBYSGDCKVTCGV-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737836718 598332195 /nfs/dbraw/zinc/33/21/95/598332195.db2.gz NNBYSGDCKVTCGV-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737836761 598332398 /nfs/dbraw/zinc/33/23/98/598332398.db2.gz ODECYSHLVUILSR-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737836761 598332400 /nfs/dbraw/zinc/33/24/00/598332400.db2.gz ODECYSHLVUILSR-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736906916 598416689 /nfs/dbraw/zinc/41/66/89/598416689.db2.gz ABOAWLUUGLHLMS-RKDXNWHRSA-N -2 3 385.789 0.134 20 0 GCADHL COC(=O)[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736906916 598416691 /nfs/dbraw/zinc/41/66/91/598416691.db2.gz ABOAWLUUGLHLMS-RKDXNWHRSA-N -2 3 385.789 0.134 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737982120 598432381 /nfs/dbraw/zinc/43/23/81/598432381.db2.gz NOFUSDZVIOZUKE-UHFFFAOYSA-N -2 3 396.367 0.264 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737985250 598434246 /nfs/dbraw/zinc/43/42/46/598434246.db2.gz LNSAMDKZZRDMEH-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737985250 598434247 /nfs/dbraw/zinc/43/42/47/598434247.db2.gz LNSAMDKZZRDMEH-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736930579 598437919 /nfs/dbraw/zinc/43/79/19/598437919.db2.gz JQNKBZBFFMYFJH-UHFFFAOYSA-N -2 3 380.411 0.840 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736930579 598437920 /nfs/dbraw/zinc/43/79/20/598437920.db2.gz JQNKBZBFFMYFJH-UHFFFAOYSA-N -2 3 380.411 0.840 20 0 GCADHL Cc1cc(=NC(=O)c2ccc(-c3nnn[n-]3)cn2)nc2nc(C(F)(F)F)[n-]n21 ZINC000737276048 598440802 /nfs/dbraw/zinc/44/08/02/598440802.db2.gz XPTTWKYKIXAXRB-UHFFFAOYSA-N -2 3 390.289 0.701 20 0 GCADHL Cc1cc(=NC(=O)c2ccc(-c3nn[n-]n3)cn2)nc2nc(C(F)(F)F)[n-]n21 ZINC000737276048 598440803 /nfs/dbraw/zinc/44/08/03/598440803.db2.gz XPTTWKYKIXAXRB-UHFFFAOYSA-N -2 3 390.289 0.701 20 0 GCADHL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC000736227422 598473175 /nfs/dbraw/zinc/47/31/75/598473175.db2.gz DDNFWBYMVXPUPH-KRWDZBQOSA-N -2 3 378.352 0.374 20 0 GCADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(-c2nnn[n-]2)cn1 ZINC000738217965 598477232 /nfs/dbraw/zinc/47/72/32/598477232.db2.gz BBKCWNPFVYDXKS-UHFFFAOYSA-N -2 3 385.365 0.441 20 0 GCADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000738217965 598477234 /nfs/dbraw/zinc/47/72/34/598477234.db2.gz BBKCWNPFVYDXKS-UHFFFAOYSA-N -2 3 385.365 0.441 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000737437747 598536292 /nfs/dbraw/zinc/53/62/92/598536292.db2.gz WPNCTRDAKFLUBO-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000737437747 598536294 /nfs/dbraw/zinc/53/62/94/598536294.db2.gz WPNCTRDAKFLUBO-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737013844 598548612 /nfs/dbraw/zinc/54/86/12/598548612.db2.gz KYZNQXPPJMHJHJ-UHFFFAOYSA-N -2 3 377.386 0.483 20 0 GCADHL COCCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737013844 598548614 /nfs/dbraw/zinc/54/86/14/598548614.db2.gz KYZNQXPPJMHJHJ-UHFFFAOYSA-N -2 3 377.386 0.483 20 0 GCADHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737769438 598593898 /nfs/dbraw/zinc/59/38/98/598593898.db2.gz JYELYUQZIAUVTK-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000736947476 598638061 /nfs/dbraw/zinc/63/80/61/598638061.db2.gz LVGJQQZBQGUQAT-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000736947476 598638062 /nfs/dbraw/zinc/63/80/62/598638062.db2.gz LVGJQQZBQGUQAT-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736627250 598740084 /nfs/dbraw/zinc/74/00/84/598740084.db2.gz RSAKUFLVRGVZTN-UHFFFAOYSA-N -2 3 385.471 0.582 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736627250 598740085 /nfs/dbraw/zinc/74/00/85/598740085.db2.gz RSAKUFLVRGVZTN-UHFFFAOYSA-N -2 3 385.471 0.582 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737799790 598762303 /nfs/dbraw/zinc/76/23/03/598762303.db2.gz WRBQWRAMHGMHST-WAYWQWQTSA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737799790 598762304 /nfs/dbraw/zinc/76/23/04/598762304.db2.gz WRBQWRAMHGMHST-WAYWQWQTSA-N -2 3 377.426 0.796 20 0 GCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736967972 598785674 /nfs/dbraw/zinc/78/56/74/598785674.db2.gz OPTMFLAVYFOYQG-SSDOTTSWSA-N -2 3 393.347 0.973 20 0 GCADHL COC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736967972 598785676 /nfs/dbraw/zinc/78/56/76/598785676.db2.gz OPTMFLAVYFOYQG-SSDOTTSWSA-N -2 3 393.347 0.973 20 0 GCADHL C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736163864 598785969 /nfs/dbraw/zinc/78/59/69/598785969.db2.gz KYGPHTJSJRXBOS-FZMZJTMJSA-N -2 3 395.441 0.397 20 0 GCADHL C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736163864 598785970 /nfs/dbraw/zinc/78/59/70/598785970.db2.gz KYGPHTJSJRXBOS-FZMZJTMJSA-N -2 3 395.441 0.397 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)cn1 ZINC000821663882 599301891 /nfs/dbraw/zinc/30/18/91/599301891.db2.gz SCEBDFUUKDRBBT-UHFFFAOYSA-N -2 3 393.385 0.046 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000822222971 599624670 /nfs/dbraw/zinc/62/46/70/599624670.db2.gz ZNXBHYCEIRBZTD-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCNC(=O)CC(C)C ZINC000822222971 599624671 /nfs/dbraw/zinc/62/46/71/599624671.db2.gz ZNXBHYCEIRBZTD-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1C ZINC000821668229 599689805 /nfs/dbraw/zinc/68/98/05/599689805.db2.gz WFIHADNQRCBCQT-UHFFFAOYSA-N -2 3 380.361 0.932 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1C ZINC000821668229 599689806 /nfs/dbraw/zinc/68/98/06/599689806.db2.gz WFIHADNQRCBCQT-UHFFFAOYSA-N -2 3 380.361 0.932 20 0 GCADHL O=C([O-])Cn1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n1 ZINC000739920271 599735971 /nfs/dbraw/zinc/73/59/71/599735971.db2.gz ZYGBPBHERKRAMW-UHFFFAOYSA-N -2 3 382.373 0.800 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2CCN(c3ncccn3)CC2)o1 ZINC000740175273 599769324 /nfs/dbraw/zinc/76/93/24/599769324.db2.gz KEOUGHMCVBVWIV-UHFFFAOYSA-N -2 3 395.441 0.258 20 0 GCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000737573413 599796761 /nfs/dbraw/zinc/79/67/61/599796761.db2.gz JSZFKOTUKYMKHE-JTQLQIEISA-N -2 3 396.780 0.732 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)c(C(=O)[O-])s1 ZINC000737682270 599812710 /nfs/dbraw/zinc/81/27/10/599812710.db2.gz YPICYDWKOUVWLS-UHFFFAOYSA-N -2 3 386.411 0.945 20 0 GCADHL O=C([O-])CNS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000739819827 599876066 /nfs/dbraw/zinc/87/60/66/599876066.db2.gz HVPSHJPWZHWPPZ-UHFFFAOYSA-N -2 3 384.435 0.991 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)Nc2ccc(-n3cncn3)cc2)o1 ZINC000739309233 600179426 /nfs/dbraw/zinc/17/94/26/600179426.db2.gz PTYYQWZMXXAYBH-UHFFFAOYSA-N -2 3 391.365 0.476 20 0 GCADHL CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@H]1CN2CCC1CC2 ZINC000737336007 600274643 /nfs/dbraw/zinc/27/46/43/600274643.db2.gz GTKFKHISSGZBGM-KRWDZBQOSA-N -2 3 384.436 0.959 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000737226427 600309782 /nfs/dbraw/zinc/30/97/82/600309782.db2.gz MBLAUAZUPSRXBR-SNVBAGLBSA-N -2 3 399.425 0.328 20 0 GCADHL CCc1nc(CN2CCC[C@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2)no1 ZINC000737280148 600434930 /nfs/dbraw/zinc/43/49/30/600434930.db2.gz PGLHFSULVZHXJT-JTQLQIEISA-N -2 3 384.414 0.866 20 0 GCADHL NC(=O)CCNC(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000833082789 600682345 /nfs/dbraw/zinc/68/23/45/600682345.db2.gz ZYTGDYLXESBQFD-UHFFFAOYSA-N -2 3 398.372 0.258 20 0 GCADHL O=C([O-])c1ccc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)o1 ZINC000833314935 600687844 /nfs/dbraw/zinc/68/78/44/600687844.db2.gz BLPPLYXQUGHIMW-UHFFFAOYSA-N -2 3 375.380 0.667 20 0 GCADHL Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000362943758 600813858 /nfs/dbraw/zinc/81/38/58/600813858.db2.gz AUXLWSOPBUIOEJ-UHFFFAOYSA-N -2 3 380.361 0.947 20 0 GCADHL O=C([O-])[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccn1 ZINC000833119768 600909424 /nfs/dbraw/zinc/90/94/24/600909424.db2.gz KIUDYLZNULUUEB-SNVBAGLBSA-N -2 3 383.158 0.049 20 0 GCADHL COC(=O)c1sc2[n-]c(CN(C)CC[C@@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC000831479824 601018825 /nfs/dbraw/zinc/01/88/25/601018825.db2.gz UYXFVZVMHAMYRV-MRVPVSSYSA-N -2 3 383.426 0.601 20 0 GCADHL Cc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1C(=O)[O-] ZINC000832939598 601160740 /nfs/dbraw/zinc/16/07/40/601160740.db2.gz WZCMDXRBQOERAN-UHFFFAOYSA-N -2 3 385.376 0.884 20 0 GCADHL Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2=O)n(C)n1 ZINC000832891270 601224118 /nfs/dbraw/zinc/22/41/18/601224118.db2.gz NWVPIJUGVRJLPK-GFCCVEGCSA-N -2 3 396.425 0.802 20 0 GCADHL CN(CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)S(C)(=O)=O ZINC000830777241 601230639 /nfs/dbraw/zinc/23/06/39/601230639.db2.gz YGRLGZGGUHOIEH-UHFFFAOYSA-N -2 3 386.398 0.223 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2C(=O)CSC2=O)c1F ZINC000833293911 601231814 /nfs/dbraw/zinc/23/18/14/601231814.db2.gz HOWYEPVSLKGPKV-UHFFFAOYSA-N -2 3 380.350 0.637 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)c1F ZINC000327237569 601233425 /nfs/dbraw/zinc/23/34/25/601233425.db2.gz LNDVKPZZVZFTBY-VHSXEESVSA-N -2 3 376.381 0.805 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000820833010 607496255 /nfs/dbraw/zinc/49/62/55/607496255.db2.gz PWLIWXOINFIZMI-LBPRGKRZSA-N -2 3 392.441 0.239 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000820833010 607496256 /nfs/dbraw/zinc/49/62/56/607496256.db2.gz PWLIWXOINFIZMI-LBPRGKRZSA-N -2 3 392.441 0.239 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCN2CCCS2(=O)=O)c1F ZINC000833294779 601234316 /nfs/dbraw/zinc/23/43/16/601234316.db2.gz WSKZRMCINYYAPV-UHFFFAOYSA-N -2 3 398.409 0.367 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)CN1CCOCC1 ZINC000827507659 601238080 /nfs/dbraw/zinc/23/80/80/601238080.db2.gz NWJZSHYAOBAWLD-SNVBAGLBSA-N -2 3 378.397 0.910 20 0 GCADHL CS(=O)(=O)CCOCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832670435 601238396 /nfs/dbraw/zinc/23/83/96/601238396.db2.gz OHUOFDKMBBSTPR-UHFFFAOYSA-N -2 3 387.382 0.003 20 0 GCADHL COc1ccccc1[C@H]([N-]S(=O)(=O)N(C)CCC(=O)[O-])c1noc(C)n1 ZINC000645969853 601261728 /nfs/dbraw/zinc/26/17/28/601261728.db2.gz IFTSMIFTJBCLCR-AWEZNQCLSA-N -2 3 384.414 0.717 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](Cc2ccc(O)cc2)C(=O)[O-])c(C)o1 ZINC000831029050 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ZCSREQASQPAGJG-JTQLQIEISA-N -2 3 392.380 0.579 20 0 GCADHL COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000831059689 601797773 /nfs/dbraw/zinc/79/77/73/601797773.db2.gz JMEAXNBMUBCXCC-PSASIEDQSA-N -2 3 390.439 0.280 20 0 GCADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCS(=O)(=O)CC1 ZINC000833175819 601808547 /nfs/dbraw/zinc/80/85/47/601808547.db2.gz OOXZHFCHJICZNP-UHFFFAOYSA-N -2 3 385.822 0.789 20 0 GCADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1F ZINC000832887334 601882883 /nfs/dbraw/zinc/88/28/83/601882883.db2.gz QXWWSGXVWJFYFD-UHFFFAOYSA-N -2 3 383.394 0.584 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)c(Br)o1 ZINC000055313135 602140079 /nfs/dbraw/zinc/14/00/79/602140079.db2.gz OVAXCNSZOCDQNW-YFKPBYRVSA-N -2 3 388.217 0.206 20 0 GCADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)N1CCOCC1 ZINC000761258925 602143914 /nfs/dbraw/zinc/14/39/14/602143914.db2.gz GWYISTJWHWBEII-QMMMGPOBSA-N -2 3 397.247 0.739 20 0 GCADHL 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/nfs/dbraw/zinc/65/45/54/606654554.db2.gz OSUZBJNSUCCWOW-UHFFFAOYSA-N -2 3 382.352 0.911 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(F)cc1F ZINC000822211793 606654555 /nfs/dbraw/zinc/65/45/55/606654555.db2.gz OSUZBJNSUCCWOW-UHFFFAOYSA-N -2 3 382.352 0.911 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC ZINC000821671171 606707480 /nfs/dbraw/zinc/70/74/80/606707480.db2.gz KSLQJYFHYNJMDP-UHFFFAOYSA-N -2 3 396.410 0.919 20 0 GCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1C ZINC000819818847 606708711 /nfs/dbraw/zinc/70/87/11/606708711.db2.gz WEAQBNBFAYNBRT-UHFFFAOYSA-N -2 3 376.402 0.668 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc(F)c1F ZINC000821667824 606708759 /nfs/dbraw/zinc/70/87/59/606708759.db2.gz BYZUBCJUNYXSPC-UHFFFAOYSA-N -2 3 399.339 0.466 20 0 GCADHL COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821669663 606709138 /nfs/dbraw/zinc/70/91/38/606709138.db2.gz WYSXHPQPELIKQE-UHFFFAOYSA-N -2 3 397.804 0.841 20 0 GCADHL Cc1cc(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822195100 606709219 /nfs/dbraw/zinc/70/92/19/606709219.db2.gz HDLQJVKPKHWGEW-UHFFFAOYSA-N -3 3 377.386 0.716 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)n1 ZINC000822622427 606710199 /nfs/dbraw/zinc/71/01/99/606710199.db2.gz CWCSTPZEVNQLKB-UHFFFAOYSA-N -3 3 385.312 0.377 20 0 GCADHL COc1ccc(OCCS(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821845094 606710428 /nfs/dbraw/zinc/71/04/28/606710428.db2.gz AKHPMNXLZXVQCB-UHFFFAOYSA-N -2 3 379.402 0.430 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821447825 606710525 /nfs/dbraw/zinc/71/05/25/606710525.db2.gz LJPINTQPEYOGDD-UHFFFAOYSA-N -2 3 397.442 0.195 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821669654 606710686 /nfs/dbraw/zinc/71/06/86/606710686.db2.gz WSLZHCJEBYKVAI-UHFFFAOYSA-N -2 3 381.349 0.327 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)n1 ZINC000822623229 606711359 /nfs/dbraw/zinc/71/13/59/606711359.db2.gz SHIKLMMVUPXBSR-UHFFFAOYSA-N -2 3 396.776 0.489 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821175205 606748710 /nfs/dbraw/zinc/74/87/10/606748710.db2.gz IMMKDIQQAVXJAX-UHFFFAOYSA-N -2 3 394.457 0.629 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821175205 606748711 /nfs/dbraw/zinc/74/87/11/606748711.db2.gz IMMKDIQQAVXJAX-UHFFFAOYSA-N -2 3 394.457 0.629 20 0 GCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000821589194 606751152 /nfs/dbraw/zinc/75/11/52/606751152.db2.gz BHPFPABTUMOIDU-UHFFFAOYSA-N -3 3 377.386 0.760 20 0 GCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1F ZINC000822203303 606766647 /nfs/dbraw/zinc/76/66/47/606766647.db2.gz NJHLQRHKVUIGHK-UHFFFAOYSA-N -2 3 382.352 0.911 20 0 GCADHL Cc1cc(F)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1F ZINC000822203303 606766648 /nfs/dbraw/zinc/76/66/48/606766648.db2.gz NJHLQRHKVUIGHK-UHFFFAOYSA-N -2 3 382.352 0.911 20 0 GCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000821589265 606820267 /nfs/dbraw/zinc/82/02/67/606820267.db2.gz GFJZHYBAGXILFF-UHFFFAOYSA-N -3 3 391.413 0.770 20 0 GCADHL COc1cc[nH]c(=N[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821903865 606864485 /nfs/dbraw/zinc/86/44/85/606864485.db2.gz MZKBTKPPSQVCTN-UHFFFAOYSA-N -2 3 384.328 0.249 20 0 GCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000822873876 606864919 /nfs/dbraw/zinc/86/49/19/606864919.db2.gz NPFGFNLMNIPRLK-UHFFFAOYSA-N -2 3 394.363 0.974 20 0 GCADHL NC(=O)Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000822873876 606864921 /nfs/dbraw/zinc/86/49/21/606864921.db2.gz NPFGFNLMNIPRLK-UHFFFAOYSA-N -2 3 394.363 0.974 20 0 GCADHL C[C@@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254751 606885801 /nfs/dbraw/zinc/88/58/01/606885801.db2.gz WDIMSRZGASNNSX-QMMMGPOBSA-N -2 3 386.384 0.434 20 0 GCADHL CCc1nc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)no1 ZINC000821505002 606890423 /nfs/dbraw/zinc/89/04/23/606890423.db2.gz NZNRDSCGVZHSKS-UHFFFAOYSA-N -2 3 385.356 0.611 20 0 GCADHL O=S(=O)([N-]CCOC[C@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578257 606890978 /nfs/dbraw/zinc/89/09/78/606890978.db2.gz KLNVBPMBJMPWBM-VIFPVBQESA-N -2 3 389.384 0.476 20 0 GCADHL CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819951800 606891449 /nfs/dbraw/zinc/89/14/49/606891449.db2.gz WTRKTQSLHJDHBG-DEOSSOPVSA-N -2 3 393.441 0.970 20 0 GCADHL CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819951807 606891770 /nfs/dbraw/zinc/89/17/70/606891770.db2.gz WTRKTQSLHJDHBG-XMMPIXPASA-N -2 3 393.441 0.970 20 0 GCADHL NC(=O)C1(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000822850722 606893038 /nfs/dbraw/zinc/89/30/38/606893038.db2.gz OIGNUFCIVJMDTD-UHFFFAOYSA-N -2 3 386.384 0.469 20 0 GCADHL C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820678695 606893549 /nfs/dbraw/zinc/89/35/49/606893549.db2.gz XGIYEDCRNNCBBP-VFWDIBGWSA-N -2 3 398.395 0.433 20 0 GCADHL CCc1nncn1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821553942 606894423 /nfs/dbraw/zinc/89/44/23/606894423.db2.gz MRAMSBKUFCZAJY-UHFFFAOYSA-N -2 3 384.372 0.277 20 0 GCADHL Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822464058 606896289 /nfs/dbraw/zinc/89/62/89/606896289.db2.gz ZKIRGPKEFAZHLV-NSHDSACASA-N -2 3 396.383 0.858 20 0 GCADHL O=S(=O)([N-]C[C@@H]1CCCS1(=O)=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572152 607006619 /nfs/dbraw/zinc/00/66/19/607006619.db2.gz CMCMCLVYCWRKLQ-QMMMGPOBSA-N -2 3 393.397 0.000 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821682410 607089521 /nfs/dbraw/zinc/08/95/21/607089521.db2.gz DVWBWOBPMGIZKN-SNVBAGLBSA-N -2 3 383.430 0.505 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821347494 607098977 /nfs/dbraw/zinc/09/89/77/607098977.db2.gz VYCHPHIPFJBFHV-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821347494 607098979 /nfs/dbraw/zinc/09/89/79/607098979.db2.gz VYCHPHIPFJBFHV-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387086 607107660 /nfs/dbraw/zinc/10/76/60/607107660.db2.gz CHWUKHVIVFKSHP-CQSZACIVSA-N -2 3 375.385 0.728 20 0 GCADHL COCCOCCS(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000826160821 607846123 /nfs/dbraw/zinc/84/61/23/607846123.db2.gz IIODQLOHIVCJHN-UHFFFAOYSA-N -2 3 393.372 0.873 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C(F)F)n1 ZINC000826358710 607859249 /nfs/dbraw/zinc/85/92/49/607859249.db2.gz FETXGKWAGAQHBY-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C(F)F)n1 ZINC000826358710 607859250 /nfs/dbraw/zinc/85/92/50/607859250.db2.gz FETXGKWAGAQHBY-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)n1 ZINC000826357514 607933590 /nfs/dbraw/zinc/93/35/90/607933590.db2.gz ICPIXLQWFSCELK-UHFFFAOYSA-N -3 3 385.312 0.377 20 0 GCADHL COCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000826165361 607985237 /nfs/dbraw/zinc/98/52/37/607985237.db2.gz RCJUMTYBQMBXCO-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL COCc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826165361 607985238 /nfs/dbraw/zinc/98/52/38/607985238.db2.gz RCJUMTYBQMBXCO-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826227848 608001060 /nfs/dbraw/zinc/00/10/60/608001060.db2.gz YPIVWWJIDKUGGM-LDWIPMOCSA-N -2 3 379.414 0.536 20 0 GCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824384955 608009829 /nfs/dbraw/zinc/00/98/29/608009829.db2.gz IMGCGZMIYQFKRG-ZCFIWIBFSA-N -2 3 390.219 0.771 20 0 GCADHL C[C@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824384955 608009830 /nfs/dbraw/zinc/00/98/30/608009830.db2.gz IMGCGZMIYQFKRG-ZCFIWIBFSA-N -2 3 390.219 0.771 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000824052370 608010983 /nfs/dbraw/zinc/01/09/83/608010983.db2.gz NUHVZELWAGCQRY-LURJTMIESA-N -2 3 379.320 0.979 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000824052370 608010984 /nfs/dbraw/zinc/01/09/84/608010984.db2.gz NUHVZELWAGCQRY-LURJTMIESA-N -2 3 379.320 0.979 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826420709 608076546 /nfs/dbraw/zinc/07/65/46/608076546.db2.gz YNNWDKRYZJKXBT-LBPRGKRZSA-N -2 3 397.482 0.582 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000826420709 608076547 /nfs/dbraw/zinc/07/65/47/608076547.db2.gz YNNWDKRYZJKXBT-LBPRGKRZSA-N -2 3 397.482 0.582 20 0 GCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000826216871 608144944 /nfs/dbraw/zinc/14/49/44/608144944.db2.gz QPWQMCDQSBBMDA-UHFFFAOYSA-N -2 3 376.398 0.474 20 0 GCADHL COc1cccc(CS(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000826216871 608144945 /nfs/dbraw/zinc/14/49/45/608144945.db2.gz QPWQMCDQSBBMDA-UHFFFAOYSA-N -2 3 376.398 0.474 20 0 GCADHL CNC(=O)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826060746 608239977 /nfs/dbraw/zinc/23/99/77/608239977.db2.gz SCWXIOCEXTZRIW-KWQFWETISA-N -2 3 386.384 0.338 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000823994540 608304661 /nfs/dbraw/zinc/30/46/61/608304661.db2.gz KTBZLJPTOYPDCP-UHFFFAOYSA-N -2 3 376.402 0.069 20 0 GCADHL Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000826272410 608305390 /nfs/dbraw/zinc/30/53/90/608305390.db2.gz HXTWELOYQGBWIY-UHFFFAOYSA-N -2 3 397.442 0.411 20 0 GCADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1 ZINC000825669388 608306836 /nfs/dbraw/zinc/30/68/36/608306836.db2.gz WXOJTEAYQBAZFJ-UHFFFAOYSA-N -2 3 383.415 0.184 20 0 GCADHL O=C([N-]CCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000826436818 608394354 /nfs/dbraw/zinc/39/43/54/608394354.db2.gz KEJXSYIVKALITJ-UHFFFAOYSA-N -2 3 381.311 0.848 20 0 GCADHL O=C([N-]CCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000826436818 608394355 /nfs/dbraw/zinc/39/43/55/608394355.db2.gz KEJXSYIVKALITJ-UHFFFAOYSA-N -2 3 381.311 0.848 20 0 GCADHL CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000825933403 608408290 /nfs/dbraw/zinc/40/82/90/608408290.db2.gz CZHXLXSCMRCHRG-UHFFFAOYSA-N -2 3 394.399 0.113 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)nc1C ZINC000825804967 608822457 /nfs/dbraw/zinc/82/24/57/608822457.db2.gz MHAWCXMXLXHHSM-UHFFFAOYSA-N -2 3 391.413 0.275 20 0 GCADHL CN1C(=O)CN([N-]C(=O)c2ccc(COc3ccccc3-c3nnn[n-]3)o2)C1=O ZINC000826011116 608863739 /nfs/dbraw/zinc/86/37/39/608863739.db2.gz XWDOHLZSUXNRCO-UHFFFAOYSA-N -2 3 397.351 0.578 20 0 GCADHL CN1C(=O)CN([N-]C(=O)c2ccc(COc3ccccc3-c3nn[n-]n3)o2)C1=O ZINC000826011116 608863744 /nfs/dbraw/zinc/86/37/44/608863744.db2.gz XWDOHLZSUXNRCO-UHFFFAOYSA-N -2 3 397.351 0.578 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826450438 609147322 /nfs/dbraw/zinc/14/73/22/609147322.db2.gz MIEGZRNITSSUKP-WCQGTBRESA-N -2 3 383.817 0.750 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000826450438 609147324 /nfs/dbraw/zinc/14/73/24/609147324.db2.gz MIEGZRNITSSUKP-WCQGTBRESA-N -2 3 383.817 0.750 20 0 GCADHL Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826258957 609160595 /nfs/dbraw/zinc/16/05/95/609160595.db2.gz CEVPYMCSZCMQRK-UHFFFAOYSA-N -2 3 394.399 0.547 20 0 GCADHL Cc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826258957 609160596 /nfs/dbraw/zinc/16/05/96/609160596.db2.gz CEVPYMCSZCMQRK-UHFFFAOYSA-N -2 3 394.399 0.547 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824738142 609160976 /nfs/dbraw/zinc/16/09/76/609160976.db2.gz MGRNFLYDKNEIPG-ZWNOBZJWSA-N -2 3 381.414 0.259 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826420543 609162013 /nfs/dbraw/zinc/16/20/13/609162013.db2.gz RBPJRMKIABMHLO-CYBMUJFWSA-N -2 3 397.482 0.725 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000826420543 609162015 /nfs/dbraw/zinc/16/20/15/609162015.db2.gz RBPJRMKIABMHLO-CYBMUJFWSA-N -2 3 397.482 0.725 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826221621 609254558 /nfs/dbraw/zinc/25/45/58/609254558.db2.gz NFMZGPZEAZDPMU-UHFFFAOYSA-N -2 3 388.409 0.839 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826221621 609254559 /nfs/dbraw/zinc/25/45/59/609254559.db2.gz NFMZGPZEAZDPMU-UHFFFAOYSA-N -2 3 388.409 0.839 20 0 GCADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826364929 609255387 /nfs/dbraw/zinc/25/53/87/609255387.db2.gz RZAPJEXKWTYAKY-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL Cn1cnc2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826364929 609255389 /nfs/dbraw/zinc/25/53/89/609255389.db2.gz RZAPJEXKWTYAKY-UHFFFAOYSA-N -2 3 383.393 0.872 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825300579 609257156 /nfs/dbraw/zinc/25/71/56/609257156.db2.gz BEZRZIDWDCEDDN-AWEZNQCLSA-N -2 3 393.473 0.538 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825390699 609257313 /nfs/dbraw/zinc/25/73/13/609257313.db2.gz KRZJCJFEVDATBE-CYBMUJFWSA-N -2 3 379.446 0.148 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824738843 609365653 /nfs/dbraw/zinc/36/56/53/609365653.db2.gz RULSGQLZMMDRIV-GWCFXTLKSA-N -2 3 381.414 0.259 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)c1-c1nn[n-]n1 ZINC000826303887 609423555 /nfs/dbraw/zinc/42/35/55/609423555.db2.gz KTTNCYDBESCQHJ-UHFFFAOYSA-N -2 3 398.408 0.951 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccn(C)n1 ZINC000826162604 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ZINC000776587049 641104923 /nfs/dbraw/zinc/10/49/23/641104923.db2.gz HSBAFCNTGWBJCV-QMMMGPOBSA-N -2 3 378.790 0.622 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](C)C(=O)[O-])c(OC)c1 ZINC000776586771 641105070 /nfs/dbraw/zinc/10/50/70/641105070.db2.gz GSOPFOKORWEXQL-SNVBAGLBSA-N -2 3 394.471 0.846 20 0 GCADHL O=C([O-])[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776642759 641108838 /nfs/dbraw/zinc/10/88/38/641108838.db2.gz JXHXCVKPTZQRHM-SNVBAGLBSA-N -2 3 384.241 0.452 20 0 GCADHL CC[C@H](C)OCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896771 641297212 /nfs/dbraw/zinc/29/72/12/641297212.db2.gz NPMUUHZVWMPNRM-VIFPVBQESA-N -2 3 382.435 0.817 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCO1 ZINC000784898113 641297764 /nfs/dbraw/zinc/29/77/64/641297764.db2.gz VPSPXZMOFJCBET-ZJUUUORDSA-N -2 3 394.446 0.817 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCO1 ZINC000784898110 641297918 /nfs/dbraw/zinc/29/79/18/641297918.db2.gz VPSPXZMOFJCBET-NXEZZACHSA-N -2 3 394.446 0.817 20 0 GCADHL CCO[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897641 641297987 /nfs/dbraw/zinc/29/79/87/641297987.db2.gz FBJBQEIKUXCOTN-SKDRFNHKSA-N -2 3 380.419 0.427 20 0 GCADHL COCCOCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784897708 641298139 /nfs/dbraw/zinc/29/81/39/641298139.db2.gz GGKBEDDWYYRXGL-UHFFFAOYSA-N -2 3 398.434 0.055 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788441215 641369204 /nfs/dbraw/zinc/36/92/04/641369204.db2.gz OWNODOQBTXFZFI-LURJTMIESA-N -2 3 399.830 0.791 20 0 GCADHL CO[C@H](C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)CC(=O)[O-] ZINC000788694266 641375977 /nfs/dbraw/zinc/37/59/77/641375977.db2.gz OUCZVWSTNPWNMP-LURJTMIESA-N -2 3 391.876 0.573 20 0 GCADHL CS(=O)(=O)c1cc([N-]S(=O)(=O)C[C@H]2CCCOC2)cc(C(=O)[O-])c1 ZINC000795333614 641514981 /nfs/dbraw/zinc/51/49/81/641514981.db2.gz OGYFXWHNDWJJPY-JTQLQIEISA-N -2 3 377.440 0.957 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1cc(=O)[nH][n-]1 ZINC000804353821 641635052 /nfs/dbraw/zinc/63/50/52/641635052.db2.gz GAUYDKUBUMAUBB-UHFFFAOYSA-N -2 3 379.225 0.264 20 0 GCADHL CO[C@@](C)(C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000813078538 641779969 /nfs/dbraw/zinc/77/99/69/641779969.db2.gz MIOPCYCSXXRWLD-CQSZACIVSA-N -2 3 394.446 0.817 20 0 GCADHL COc1cccc(S([O-])=CC(=O)[N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000820725082 641966615 /nfs/dbraw/zinc/96/66/15/641966615.db2.gz DGOIKVHMWUPRDK-DEOSSOPVSA-N -2 3 383.451 0.451 20 0 GCADHL COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826156702 642056633 /nfs/dbraw/zinc/05/66/33/642056633.db2.gz QEQNGAZCIHJZBF-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL COCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826156702 642056642 /nfs/dbraw/zinc/05/66/42/642056642.db2.gz QEQNGAZCIHJZBF-UHFFFAOYSA-N -2 3 389.821 0.378 20 0 GCADHL NC(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000833083243 642204151 /nfs/dbraw/zinc/20/41/51/642204151.db2.gz ZLBVVHJKPCCYOD-WDSKDSINSA-N -2 3 397.203 0.052 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)[N-]OC(C)(C)CO)CCCC1 ZINC000836803337 642256220 /nfs/dbraw/zinc/25/62/20/642256220.db2.gz JKRJERDKOZCFCK-UHFFFAOYSA-N -2 3 375.447 0.701 20 0 GCADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])s1 ZINC000837290964 642269977 /nfs/dbraw/zinc/26/99/77/642269977.db2.gz IHLUBUDZZCFIAC-QMMMGPOBSA-N -2 3 379.460 0.962 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](F)C(=O)[O-])cc1 ZINC000837296827 642271395 /nfs/dbraw/zinc/27/13/95/642271395.db2.gz UUFCTPQBABLXPQ-GFCCVEGCSA-N -2 3 382.435 0.929 20 0 GCADHL COCC1(CC(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000842739709 642347019 /nfs/dbraw/zinc/34/70/19/642347019.db2.gz ZLBVOYNVDYJMPV-UHFFFAOYSA-N -2 3 394.446 0.819 20 0 GCADHL CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844894061 642418190 /nfs/dbraw/zinc/41/81/90/642418190.db2.gz IHJQCQLMPNORRU-UHFFFAOYSA-N -2 3 391.254 0.519 20 0 GCADHL CCO[N-]C(=O)CNC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000845534552 642444736 /nfs/dbraw/zinc/44/47/36/642444736.db2.gz GLSXGQHEKQEWPT-UHFFFAOYSA-N -2 3 396.828 0.124 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510280880 1184751343 /nfs/dbraw/zinc/75/13/43/1184751343.db2.gz IMYKTWDPRHURAY-GXSJLCMTSA-N -2 3 398.445 0.188 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H](O)C(F)(F)F ZINC001213349278 1185593360 /nfs/dbraw/zinc/59/33/60/1185593360.db2.gz WNIWITUBDRTANB-LDWIPMOCSA-N -2 3 394.368 0.787 20 0 GCADHL NC(=O)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000581680048 1185839277 /nfs/dbraw/zinc/83/92/77/1185839277.db2.gz YQJZVVARNOJWBR-UHFFFAOYSA-N -2 3 388.361 0.180 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000548215180 1185889067 /nfs/dbraw/zinc/88/90/67/1185889067.db2.gz KJMZXAYSQGCHGI-CQSZACIVSA-N -2 3 391.409 0.846 20 0 GCADHL CCC[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)OC)cc2=O)cc1)c1nn[n-]n1 ZINC000610714111 1186138443 /nfs/dbraw/zinc/13/84/43/1186138443.db2.gz YDGIYACDVLIPRE-CQSZACIVSA-N -2 3 399.411 0.665 20 0 GCADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000278190599 1186821479 /nfs/dbraw/zinc/82/14/79/1186821479.db2.gz RHUPIGAKQSUKOP-NSHDSACASA-N -2 3 391.373 0.687 20 0 GCADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)C(=O)[O-])n1 ZINC000583309528 1186823204 /nfs/dbraw/zinc/82/32/04/1186823204.db2.gz NDRNPHYTTGBOPS-LLVKDONJSA-N -2 3 398.372 0.505 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659199853 1187910948 /nfs/dbraw/zinc/91/09/48/1187910948.db2.gz HVTCMRPMPCYYFB-SECBINFHSA-N -2 3 399.429 0.613 20 0 GCADHL CO[C@@H]1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[C@H](C(=O)[O-])C1 ZINC000659220401 1187915035 /nfs/dbraw/zinc/91/50/35/1187915035.db2.gz NFXFKAVLSVNBEP-JLLWLGSASA-N -2 3 389.430 0.049 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])cc1OC ZINC000576421320 1193876907 /nfs/dbraw/zinc/87/69/07/1193876907.db2.gz OEXJDPTXOUQHJY-PWSUYJOCSA-N -2 3 387.414 0.509 20 0 GCADHL Cn1ncc2c1[n-]cc(C(=O)N1CCN(C(=O)c3ccccc3[O-])CC1)c2=O ZINC000436684941 1195025878 /nfs/dbraw/zinc/02/58/78/1195025878.db2.gz JHVNLUCVNFWNKC-UHFFFAOYSA-N -2 3 381.392 0.978 20 0 GCADHL O=C(CNC(=O)c1ncccc1[O-])NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436779198 1195035766 /nfs/dbraw/zinc/03/57/66/1195035766.db2.gz UNNHZPYVZKXATO-UHFFFAOYSA-N -2 3 398.419 0.644 20 0 GCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000436795297 1195037369 /nfs/dbraw/zinc/03/73/69/1195037369.db2.gz FBVKGCSFAZOCNN-UHFFFAOYSA-N -2 3 394.409 0.939 20 0 GCADHL Cc1ncc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])c(=O)[n-]1 ZINC000436828750 1195039231 /nfs/dbraw/zinc/03/92/31/1195039231.db2.gz RDPVGMIMWPQRMD-UHFFFAOYSA-N -2 3 392.437 0.911 20 0 GCADHL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000518293375 1195276593 /nfs/dbraw/zinc/27/65/93/1195276593.db2.gz WFTGGORECSDAJN-UHFFFAOYSA-N -2 3 375.362 0.235 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000439714195 1195342908 /nfs/dbraw/zinc/34/29/08/1195342908.db2.gz BHOBOYHXDNPGLQ-VIFPVBQESA-N -2 3 399.429 0.613 20 0 GCADHL O=C(c1ccc(O)cc1[O-])N1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000440029844 1195378555 /nfs/dbraw/zinc/37/85/55/1195378555.db2.gz QYPPBTZOUNDCRG-UHFFFAOYSA-N -2 3 397.375 0.689 20 0 GCADHL Cc1cc(C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000444544827 1196502537 /nfs/dbraw/zinc/50/25/37/1196502537.db2.gz GDDOIIBJAJEQKI-NSHDSACASA-N -2 3 375.429 0.662 20 0 GCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)CCC(=O)[O-])cc2)n1 ZINC000653485064 1197150117 /nfs/dbraw/zinc/15/01/17/1197150117.db2.gz UYMBVFAJJYJBMC-UHFFFAOYSA-N -2 3 395.441 0.954 20 0 GCADHL COc1cc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc([N-]S(C)(=O)=O)c1OC ZINC000614920780 1197487135 /nfs/dbraw/zinc/48/71/35/1197487135.db2.gz HGXOJELPRQBLAH-UHFFFAOYSA-N -2 3 398.441 0.461 20 0 GCADHL Cc1cc(C(=O)NC[C@@H](C(C)C)N2CCOCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000265758948 1199130249 /nfs/dbraw/zinc/13/02/49/1199130249.db2.gz BTQDCHGLZNOOLQ-ZDUSSCGKSA-N -2 3 375.429 0.831 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000675996516 1200475312 /nfs/dbraw/zinc/47/53/12/1200475312.db2.gz ZIXWRISKGNFGFB-SNVBAGLBSA-N -2 3 389.430 0.050 20 0 GCADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(NC(=O)C(N)=O)c1 ZINC000509372621 1200936809 /nfs/dbraw/zinc/93/68/09/1200936809.db2.gz ASHNHZBCVYYJGK-UHFFFAOYSA-N -2 3 377.378 0.918 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)o1 ZINC000732088956 1201519834 /nfs/dbraw/zinc/51/98/34/1201519834.db2.gz IXYIBSMJHQIAPL-JTQLQIEISA-N -2 3 384.418 0.083 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)o1 ZINC000732088956 1201519838 /nfs/dbraw/zinc/51/98/38/1201519838.db2.gz IXYIBSMJHQIAPL-JTQLQIEISA-N -2 3 384.418 0.083 20 0 GCADHL CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001186808538 1205947927 /nfs/dbraw/zinc/94/79/27/1205947927.db2.gz VVENARKCZJAUOA-BLLLJJGKSA-N -2 3 391.357 0.568 20 0 GCADHL O=C([N-]CCNC(=O)c1nn[n-]c1C(F)(F)F)C(F)(F)Br ZINC001187773782 1205967779 /nfs/dbraw/zinc/96/77/79/1205967779.db2.gz MCBVHAHHAASWSU-UHFFFAOYSA-N -2 3 380.071 0.657 20 0 GCADHL O=C([N-]CCNC(=O)c1[n-]nnc1C(F)(F)F)C(F)(F)Br ZINC001187773782 1205967780 /nfs/dbraw/zinc/96/77/80/1205967780.db2.gz MCBVHAHHAASWSU-UHFFFAOYSA-N -2 3 380.071 0.657 20 0 GCADHL CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2[n-]nnc2C(F)(F)F)cc1 ZINC001187766575 1205969059 /nfs/dbraw/zinc/96/90/59/1205969059.db2.gz XUQQAHXUJLJXMR-UHFFFAOYSA-N -2 3 391.331 0.694 20 0 GCADHL CS(=O)(=O)[N-]C(=O)Cc1ccc(NC(=O)c2nn[n-]c2C(F)(F)F)cc1 ZINC001187766575 1205969060 /nfs/dbraw/zinc/96/90/60/1205969060.db2.gz XUQQAHXUJLJXMR-UHFFFAOYSA-N -2 3 391.331 0.694 20 0 GCADHL O=C([O-])c1cc(C(=O)NCCCCP(=O)([O-])[O-])cc(S(=O)(=O)[O-])c1 ZINC001189933890 1206023117 /nfs/dbraw/zinc/02/31/17/1206023117.db2.gz OWALVXOIDJAZND-UHFFFAOYSA-N -4 3 381.299 0.319 20 0 GCADHL Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC001600790830 970863592 /nfs/dbraw/zinc/86/35/92/970863592.db2.gz OZGNIACCBFZHBG-ZCFIWIBFSA-N -2 3 377.220 0.799 20 0 GCADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC001600858179 970872114 /nfs/dbraw/zinc/87/21/14/970872114.db2.gz QUNQPDJYZXGKTO-LJQANCHMSA-N -2 3 399.359 0.966 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000824728789 946914099 /nfs/dbraw/zinc/91/40/99/946914099.db2.gz HLPWWECWKQQFPY-NSHDSACASA-N -2 3 375.385 0.726 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824868288 946960695 /nfs/dbraw/zinc/96/06/95/946960695.db2.gz UTCVLBSIFIUTEV-GHMZBOCLSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824868288 946960702 /nfs/dbraw/zinc/96/07/02/946960702.db2.gz UTCVLBSIFIUTEV-GHMZBOCLSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866884 946960835 /nfs/dbraw/zinc/96/08/35/946960835.db2.gz NXJIPYFOVAPNQK-MFKMUULPSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866884 946960845 /nfs/dbraw/zinc/96/08/45/946960845.db2.gz NXJIPYFOVAPNQK-MFKMUULPSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866886 946960975 /nfs/dbraw/zinc/96/09/75/946960975.db2.gz NXJIPYFOVAPNQK-ZWNOBZJWSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866886 946960982 /nfs/dbraw/zinc/96/09/82/946960982.db2.gz NXJIPYFOVAPNQK-ZWNOBZJWSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868835 946964806 /nfs/dbraw/zinc/96/48/06/946964806.db2.gz WVBMNKMPRQWKSX-MFKMUULPSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868835 946964813 /nfs/dbraw/zinc/96/48/13/946964813.db2.gz WVBMNKMPRQWKSX-MFKMUULPSA-N -2 3 377.426 0.818 20 0 GCADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cn1C ZINC000826068666 947421382 /nfs/dbraw/zinc/42/13/82/947421382.db2.gz VQUZEBCKLANZMU-UHFFFAOYSA-N -2 3 375.414 0.674 20 0 GCADHL CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c1 ZINC000826089967 947423553 /nfs/dbraw/zinc/42/35/53/947423553.db2.gz BAPJCHUFJUIKQG-UHFFFAOYSA-N -2 3 394.438 0.576 20 0 GCADHL COCCOc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2nnn[n-]2)cc1 ZINC000826162516 947511890 /nfs/dbraw/zinc/51/18/90/947511890.db2.gz FXYWTXCJCTZCFV-UHFFFAOYSA-N -2 3 379.402 0.724 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)c1C ZINC000826211392 947619449 /nfs/dbraw/zinc/61/94/49/947619449.db2.gz AMBPNNGCDXOYBR-UHFFFAOYSA-N -2 3 376.398 0.939 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)c1C ZINC000826211392 947619458 /nfs/dbraw/zinc/61/94/58/947619458.db2.gz AMBPNNGCDXOYBR-UHFFFAOYSA-N -2 3 376.398 0.939 20 0 GCADHL Cc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1-c1nn[n-]n1 ZINC000826299467 947867547 /nfs/dbraw/zinc/86/75/47/947867547.db2.gz GOMOKJLNQUJASH-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1-c1nnn[n-]1 ZINC000826322615 947943919 /nfs/dbraw/zinc/94/39/19/947943919.db2.gz UKYMQLOFUWLAJQ-UHFFFAOYSA-N -2 3 388.413 0.929 20 0 GCADHL Cc1onc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1-c1nnn[n-]1 ZINC000826328627 947956267 /nfs/dbraw/zinc/95/62/67/947956267.db2.gz XXLBZQYLCGJNIW-UHFFFAOYSA-N -2 3 383.372 0.387 20 0 GCADHL Cc1onc(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)c1-c1nn[n-]n1 ZINC000826328627 947956272 /nfs/dbraw/zinc/95/62/72/947956272.db2.gz XXLBZQYLCGJNIW-UHFFFAOYSA-N -2 3 383.372 0.387 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450510 948316643 /nfs/dbraw/zinc/31/66/43/948316643.db2.gz PMHOFLPIONOQFM-UHFFFAOYSA-N -2 3 376.354 0.085 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450510 948316647 /nfs/dbraw/zinc/31/66/47/948316647.db2.gz PMHOFLPIONOQFM-UHFFFAOYSA-N -2 3 376.354 0.085 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450364 948316858 /nfs/dbraw/zinc/31/68/58/948316858.db2.gz IPTKNBHDMYHUAM-UHFFFAOYSA-N -2 3 384.381 0.499 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450364 948316862 /nfs/dbraw/zinc/31/68/62/948316862.db2.gz IPTKNBHDMYHUAM-UHFFFAOYSA-N -2 3 384.381 0.499 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001574527931 950914999 /nfs/dbraw/zinc/91/49/99/950914999.db2.gz IQAFLSBJGWCDJC-ZJUUUORDSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@H](C[C@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001574527931 950915012 /nfs/dbraw/zinc/91/50/12/950915012.db2.gz IQAFLSBJGWCDJC-ZJUUUORDSA-N -2 3 384.400 0.622 20 0 GCADHL O=C([O-])CN1CCC[C@@H](C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001595086086 951729497 /nfs/dbraw/zinc/72/94/97/951729497.db2.gz HHZXMRCEUIULMP-MNOVXSKESA-N -2 3 393.362 0.227 20 0 GCADHL O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nnn[n-]3)n2)C1)c1ccccc1[O-] ZINC001571161051 952729536 /nfs/dbraw/zinc/72/95/36/952729536.db2.gz PPCDKTPAZDNUQO-NWDGAFQWSA-N -2 3 380.412 0.795 20 0 GCADHL O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571175677 952823671 /nfs/dbraw/zinc/82/36/71/952823671.db2.gz DZZMLDBQECMNAI-GHMZBOCLSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571175677 952823673 /nfs/dbraw/zinc/82/36/73/952823673.db2.gz DZZMLDBQECMNAI-GHMZBOCLSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(c1cc(-c2nnn[n-]2)c[nH]1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001571193962 952955495 /nfs/dbraw/zinc/95/54/95/952955495.db2.gz CAEFMZGAUNPCDV-UHFFFAOYSA-N -2 3 382.384 0.284 20 0 GCADHL O=C(c1cc(-c2nn[n-]n2)c[nH]1)N1CCCN(C(=O)c2ncccc2[O-])CC1 ZINC001571193962 952955499 /nfs/dbraw/zinc/95/54/99/952955499.db2.gz CAEFMZGAUNPCDV-UHFFFAOYSA-N -2 3 382.384 0.284 20 0 GCADHL C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194858 952970182 /nfs/dbraw/zinc/97/01/82/952970182.db2.gz TVVFAGWDAKEWTR-UWVGGRQHSA-N -2 3 382.384 0.328 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001571239115 953236569 /nfs/dbraw/zinc/23/65/69/953236569.db2.gz QVAMGTKEVIZGSQ-UWVGGRQHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001571239115 953236572 /nfs/dbraw/zinc/23/65/72/953236572.db2.gz QVAMGTKEVIZGSQ-UWVGGRQHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239272 953237891 /nfs/dbraw/zinc/23/78/91/953237891.db2.gz RXMWXXXPHVDEKK-JTQLQIEISA-N -2 3 384.404 0.101 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001571239272 953237895 /nfs/dbraw/zinc/23/78/95/953237895.db2.gz RXMWXXXPHVDEKK-JTQLQIEISA-N -2 3 384.404 0.101 20 0 GCADHL O=C([O-])[C@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000473459687 953523514 /nfs/dbraw/zinc/52/35/14/953523514.db2.gz IJPBASPKQSLRBQ-KBPBESRZSA-N -2 3 379.394 0.521 20 0 GCADHL O=C([O-])C1=NO[C@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC001594892345 954545424 /nfs/dbraw/zinc/54/54/24/954545424.db2.gz STNAGYDFNQKVOB-ZETCQYMHSA-N -2 3 381.819 0.026 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c(C)o1 ZINC001593798969 954842842 /nfs/dbraw/zinc/84/28/42/954842842.db2.gz JXBQYCCAXWLJCL-NOEPWBJOSA-N -2 3 386.426 0.638 20 0 GCADHL COC(=O)CCN(CC(=O)[O-])C(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC001593839087 955336231 /nfs/dbraw/zinc/33/62/31/955336231.db2.gz KLPVXERZVVQVET-UHFFFAOYSA-N -2 3 392.364 0.635 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)C(=O)[O-] ZINC001593849828 955444401 /nfs/dbraw/zinc/44/44/01/955444401.db2.gz JJSZJSDBJHDBRM-RULNZOCKSA-N -2 3 384.476 0.658 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000846770083 955728646 /nfs/dbraw/zinc/72/86/46/955728646.db2.gz RWECBFWHINNREE-CYBMUJFWSA-N -2 3 385.373 0.758 20 0 GCADHL Cn1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c1I ZINC001594586488 956002817 /nfs/dbraw/zinc/00/28/17/956002817.db2.gz OOMWINYNVMOOKZ-RQJHMYQMSA-N -2 3 399.210 0.556 20 0 GCADHL CO[C@@](C)(C(=O)[O-])C(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC001593926016 956126901 /nfs/dbraw/zinc/12/69/01/956126901.db2.gz TYVKZGOGIJEAGN-CYBMUJFWSA-N -2 3 399.252 0.878 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000389704745 972242256 /nfs/dbraw/zinc/24/22/56/972242256.db2.gz LIZDLDCXJLLGIY-AWEZNQCLSA-N -2 3 394.453 0.677 20 0 GCADHL COc1cc(CS(=O)(=O)[N-][C@@H]2CCCCN(CC(=O)[O-])C2=O)sn1 ZINC001594058588 958064844 /nfs/dbraw/zinc/06/48/44/958064844.db2.gz GNRAFOJOIGQRDV-SNVBAGLBSA-N -2 3 377.444 0.037 20 0 GCADHL C[C@@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001603215612 972328362 /nfs/dbraw/zinc/32/83/62/972328362.db2.gz ILEHLKWDDXUDNN-ZCFIWIBFSA-N -2 3 384.336 0.280 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)c(F)cc1Cl ZINC001259212132 960661713 /nfs/dbraw/zinc/66/17/13/960661713.db2.gz HJQKLQKAGOMEDQ-UHFFFAOYSA-N -2 3 394.808 0.705 20 0 GCADHL O=C([O-])C1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC001574630241 962296403 /nfs/dbraw/zinc/29/64/03/962296403.db2.gz MUKNZPRKIWXHJF-UHFFFAOYSA-N -2 3 396.874 0.677 20 0 GCADHL C[C@@H](CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001588993285 962813153 /nfs/dbraw/zinc/81/31/53/962813153.db2.gz BXPDLXXZOZLIIV-GUBZILKMSA-N -2 3 375.834 0.771 20 0 GCADHL C[C@H](CC(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001588993288 962813305 /nfs/dbraw/zinc/81/33/05/962813305.db2.gz BXPDLXXZOZLIIV-OPRDCNLKSA-N -2 3 375.834 0.771 20 0 GCADHL CC(=O)NCCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])[C@H](C)C(=O)[O-] ZINC000263470406 967895215 /nfs/dbraw/zinc/89/52/15/967895215.db2.gz XRPJPLRALTYNCF-GFCCVEGCSA-N -2 3 379.413 0.258 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccnn2C)c1 ZINC000819090532 969193551 /nfs/dbraw/zinc/19/35/51/969193551.db2.gz WOHHAAQMNJMMAN-ZDUSSCGKSA-N -2 3 385.373 0.840 20 0 GCADHL Cn1cc([C@@H]2C[C@H](C(=O)[O-])CN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)cn1 ZINC001605490678 973644284 /nfs/dbraw/zinc/64/42/84/973644284.db2.gz LJBNGLZSGZSBTM-KGLIPLIRSA-N -2 3 386.408 0.572 20 0 GCADHL O=C([O-])Cn1cccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(O)n[n-]2)c1=O ZINC001606355596 973813358 /nfs/dbraw/zinc/81/33/58/973813358.db2.gz VQRSRLOCMUQBLU-ZDUSSCGKSA-N -2 3 383.364 0.470 20 0 GCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c2)[n-]1 ZINC001603818636 974298105 /nfs/dbraw/zinc/29/81/05/974298105.db2.gz KODCRACAIMLZIU-KRWDZBQOSA-N -2 3 376.369 0.754 20 0 GCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@](C)(OC)C(=O)[O-])c2)n[n-]1 ZINC001603818636 974298109 /nfs/dbraw/zinc/29/81/09/974298109.db2.gz KODCRACAIMLZIU-KRWDZBQOSA-N -2 3 376.369 0.754 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]CCCn2nc3n(c2=O)CCCC3)cc1C(=O)[O-] ZINC000518764948 974324232 /nfs/dbraw/zinc/32/42/32/974324232.db2.gz DKGKBFWWSQXGLQ-UHFFFAOYSA-N -2 3 384.414 0.349 20 0 GCADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000547918386 974450241 /nfs/dbraw/zinc/45/02/41/974450241.db2.gz VFKXXZMENIBSEG-UHFFFAOYSA-N -2 3 379.325 0.855 20 0 GCADHL O=C([O-])Cn1cc([N-]S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cn1 ZINC000703960996 977211986 /nfs/dbraw/zinc/21/19/86/977211986.db2.gz GVWRLOPVWZPGBT-UHFFFAOYSA-N -2 3 392.393 0.396 20 0 GCADHL C[C@H](CC(=O)NCC1(C(=O)[O-])CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592254566 977490102 /nfs/dbraw/zinc/49/01/02/977490102.db2.gz LBHCFIIOSOELEI-SECBINFHSA-N -2 3 375.834 0.773 20 0 GCADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)CC(=O)[O-] ZINC001592728237 979235549 /nfs/dbraw/zinc/23/55/49/979235549.db2.gz DYEYJDUQEFAFJC-CYBMUJFWSA-N -3 3 383.781 0.929 20 0 GCADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)CC(=O)[O-] ZINC001592728619 979238375 /nfs/dbraw/zinc/23/83/75/979238375.db2.gz IPIPMGXBCWKOJS-CYBMUJFWSA-N -3 3 383.781 0.929 20 0 GCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)[O-])c1 ZINC001588662201 983789197 /nfs/dbraw/zinc/78/91/97/983789197.db2.gz YYXYXNRAXBYOHL-GXFFZTMASA-N -2 3 376.365 0.995 20 0 GCADHL CCN1CCN(c2ccc(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])cc2)CC1 ZINC001596439255 984130333 /nfs/dbraw/zinc/13/03/33/984130333.db2.gz ZTCCRXIIGPLTDW-UONOGXRCSA-N -2 3 397.497 0.997 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H]1CCCOC1 ZINC001596544554 984401086 /nfs/dbraw/zinc/40/10/86/984401086.db2.gz URXQHFKEKKVEFT-WPRPVWTQSA-N -2 3 378.428 0.478 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)C1CCC(C(=O)[O-])CC1)[C@@H]1CCCOC1 ZINC001596544779 984402485 /nfs/dbraw/zinc/40/24/85/984402485.db2.gz WEDAWIKIBVSPSM-HHTDUIENSA-N -2 3 377.459 0.908 20 0 GCADHL CCOC(=O)C1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])Cc2ccccc2C1 ZINC001596560521 984437111 /nfs/dbraw/zinc/43/71/11/984437111.db2.gz WKHKRPYQOUJYTO-UHFFFAOYSA-N -2 3 379.394 0.487 20 0 GCADHL C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@]1(C)C(=O)[O-] ZINC001599931143 985315892 /nfs/dbraw/zinc/31/58/92/985315892.db2.gz LCTDAPIMYJLUJF-XPTSAGLGSA-N -2 3 394.446 0.929 20 0 GCADHL CCOC1CC(C[N-]S(=O)(=O)c2occc2C(=O)[O-])(N2CCOCC2)C1 ZINC001596803624 985317124 /nfs/dbraw/zinc/31/71/24/985317124.db2.gz ATABUOUEWXVRES-UHFFFAOYSA-N -2 3 388.442 0.526 20 0 GCADHL C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1nnc2ccccc2c1[O-] ZINC001594657002 986913889 /nfs/dbraw/zinc/91/38/89/986913889.db2.gz FXAWHVPSZJBJTH-JOYOIKCWSA-N -2 3 390.421 0.830 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NCCOCC(=O)[O-])cc1OC ZINC001597229751 987179203 /nfs/dbraw/zinc/17/92/03/987179203.db2.gz HYOOSQLZOWBTKR-UHFFFAOYSA-N -2 3 375.403 0.680 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cnc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)s1 ZINC001589839593 988326460 /nfs/dbraw/zinc/32/64/60/988326460.db2.gz HPLSXYVRFUMOQK-SFYZADRCSA-N -2 3 377.444 0.791 20 0 GCADHL CC(C)(C)OC(=O)[C@@]1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCOC1 ZINC001589857386 988413451 /nfs/dbraw/zinc/41/34/51/988413451.db2.gz OHYWDUYNNZJZSH-CYBMUJFWSA-N -2 3 378.428 0.620 20 0 GCADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001597784921 989297728 /nfs/dbraw/zinc/29/77/28/989297728.db2.gz RYZVSDOUQUSDTP-VIFPVBQESA-N -2 3 382.398 0.593 20 0 GCADHL CC(C)(C)OC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)c1ccc([O-])cc1 ZINC001590341737 989788644 /nfs/dbraw/zinc/78/86/44/989788644.db2.gz VASWSCVTFUQYJD-ZDUSSCGKSA-N -2 3 380.397 0.813 20 0 GCADHL CN(C)C(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598110756 990505337 /nfs/dbraw/zinc/50/53/37/990505337.db2.gz VDMVVMRTFNOQSZ-LLVKDONJSA-N -2 3 383.451 0.819 20 0 GCADHL CN(Cc1cc(=O)n2nc(N)[n-]c2n1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598505099 992493091 /nfs/dbraw/zinc/49/30/91/992493091.db2.gz ZHSSFGXUFAWFCC-LBPRGKRZSA-N -2 3 382.302 0.675 20 0 GCADHL CN(OCC(F)(F)F)C(=O)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001598540128 992889454 /nfs/dbraw/zinc/88/94/54/992889454.db2.gz NNJSUCHDIXVXMN-UHFFFAOYSA-N -2 3 377.322 0.072 20 0 GCADHL CNC(=O)[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598655407 994513699 /nfs/dbraw/zinc/51/36/99/994513699.db2.gz FWPPEHVOGOWMKO-JTQLQIEISA-N -2 3 388.352 0.022 20 0 GCADHL CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1Br ZINC001598656123 994525515 /nfs/dbraw/zinc/52/55/15/994525515.db2.gz QCNRBXNOGIFWNG-YFKPBYRVSA-N -2 3 383.195 0.699 20 0 GCADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001598673269 994796021 /nfs/dbraw/zinc/79/60/21/994796021.db2.gz KUUWWXRUVWRFAQ-UHFFFAOYSA-N -3 3 378.359 0.826 20 0 GCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001593326717 994881906 /nfs/dbraw/zinc/88/19/06/994881906.db2.gz YNPNZGGISFJKML-KXNHARMFSA-N -2 3 385.442 0.923 20 0 GCADHL COC(=O)[C@H](CC1CCOCC1)[N-]S(=O)(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598695959 995138246 /nfs/dbraw/zinc/13/82/46/995138246.db2.gz BKSFWMCEVIEFLM-IHRRRGAJSA-N -2 3 377.459 0.908 20 0 GCADHL COC(=O)[C@H](CC1CCOCC1)[N-]S(=O)(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC001598695958 995138405 /nfs/dbraw/zinc/13/84/05/995138405.db2.gz BKSFWMCEVIEFLM-HZSPNIEDSA-N -2 3 377.459 0.908 20 0 GCADHL COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001598698147 995176500 /nfs/dbraw/zinc/17/65/00/995176500.db2.gz SGVCFZHEZHYUCK-QMMMGPOBSA-N -2 3 395.336 0.246 20 0 GCADHL COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001598699451 995197611 /nfs/dbraw/zinc/19/76/11/995197611.db2.gz QCVHCQHDMGYROK-SDDRHHMPSA-N -2 3 379.431 0.244 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)[C@@H]1CCC[C@H](OC)C1 ZINC001598709060 995325897 /nfs/dbraw/zinc/32/58/97/995325897.db2.gz LOXVDJTXKBFKML-MBNYWOFBSA-N -2 3 377.459 0.908 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cn1C)c1ccc(OC)cc1 ZINC001598711960 995359722 /nfs/dbraw/zinc/35/97/22/995359722.db2.gz GPNSUOGDOWECRE-AWEZNQCLSA-N -2 3 382.394 0.925 20 0 GCADHL COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC(CO)C1 ZINC001598723711 995505263 /nfs/dbraw/zinc/50/52/63/995505263.db2.gz BQCNYSGERQWUIY-UHFFFAOYSA-N -2 3 395.792 0.770 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)OC ZINC001598913893 997420090 /nfs/dbraw/zinc/42/00/90/997420090.db2.gz GUPYEWKKFUKFKP-SECBINFHSA-N -2 3 377.346 0.297 20 0 GCADHL COCC[C@@H]([N-]S(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)[O-] ZINC001599216916 997598957 /nfs/dbraw/zinc/59/89/57/997598957.db2.gz 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COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)CCO)cc2)c1 ZINC000547499855 531098018 /nfs/dbraw/zinc/09/80/18/531098018.db2.gz FJDPTLCTCSRPHK-UHFFFAOYSA-N -2 3 387.435 0.968 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547547477 531098693 /nfs/dbraw/zinc/09/86/93/531098693.db2.gz FDJHFNJDIXHWIT-ZETCQYMHSA-N -2 3 392.773 0.459 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](Cn2nc(C)cc2C)C(=O)[O-])c1 ZINC000547552369 531098705 /nfs/dbraw/zinc/09/87/05/531098705.db2.gz HYOLSXRTSRWOCN-LLVKDONJSA-N -2 3 387.439 0.780 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000547562883 531099133 /nfs/dbraw/zinc/09/91/33/531099133.db2.gz SXXOSPJAPMEYSS-MRVPVSSYSA-N -2 3 383.176 0.735 20 0 GCADHL C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000547562461 531099331 /nfs/dbraw/zinc/09/93/31/531099331.db2.gz JRPHQSJUKDETQX-SECBINFHSA-N -2 3 382.435 0.976 20 0 GCADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000666173076 531099522 /nfs/dbraw/zinc/09/95/22/531099522.db2.gz SMCWTQXHXDPNJL-WKEGUHRASA-N -2 3 380.216 0.496 20 0 GCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547611045 531101204 /nfs/dbraw/zinc/10/12/04/531101204.db2.gz AWJIQRLRWKTMOA-JQWIXIFHSA-N -3 3 398.434 0.090 20 0 GCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000547615718 531101540 /nfs/dbraw/zinc/10/15/40/531101540.db2.gz SHHHWCKMCUBMPP-RNCFNFMXSA-N -2 3 394.833 0.097 20 0 GCADHL CC[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)[O-] ZINC000547881160 531105251 /nfs/dbraw/zinc/10/52/51/531105251.db2.gz GSOCYLNRPHEJRF-LLVKDONJSA-N -2 3 376.456 0.613 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C[C@@H](OC)C(=O)[O-])c1 ZINC000547886045 531105462 /nfs/dbraw/zinc/10/54/62/531105462.db2.gz MVQDLDUPOXTARC-SNVBAGLBSA-N -2 3 379.362 0.389 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1 ZINC000547914452 531106928 /nfs/dbraw/zinc/10/69/28/531106928.db2.gz DPIBDCRFOOIAAR-NSHDSACASA-N -3 3 377.346 0.599 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])s1 ZINC000547934247 531107420 /nfs/dbraw/zinc/10/74/20/531107420.db2.gz KKYZDAFQUIWESG-JTQLQIEISA-N -2 3 398.528 0.762 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)[O-])c1 ZINC000548209354 531111046 /nfs/dbraw/zinc/11/10/46/531111046.db2.gz NXSPISQAFJPLDK-NSHDSACASA-N -2 3 377.346 0.297 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548262825 531113778 /nfs/dbraw/zinc/11/37/78/531113778.db2.gz BRDGXPGKJTXLJD-AWEZNQCLSA-N -3 3 377.346 0.456 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000548552491 531118599 /nfs/dbraw/zinc/11/85/99/531118599.db2.gz VKUUQIZCGMZQFL-ZETCQYMHSA-N -3 3 376.778 0.145 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000548551325 531118789 /nfs/dbraw/zinc/11/87/89/531118789.db2.gz PWAMXOQYIUKQPR-MRVPVSSYSA-N -2 3 386.195 0.975 20 0 GCADHL CCC[C@@H](O)[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(=O)[O-] ZINC000548595673 531121033 /nfs/dbraw/zinc/12/10/33/531121033.db2.gz XMPZOUPPJBRRGG-VXGBXAGGSA-N -2 3 398.434 0.090 20 0 GCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000548868840 531123802 /nfs/dbraw/zinc/12/38/02/531123802.db2.gz GPGYQMMSNPDILD-PWSUYJOCSA-N -2 3 388.467 0.611 20 0 GCADHL COC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CCCO1 ZINC000433475498 531130459 /nfs/dbraw/zinc/13/04/59/531130459.db2.gz RWYOLONWDXNECU-CHWSQXEVSA-N -2 3 396.462 0.670 20 0 GCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000433640657 531131295 /nfs/dbraw/zinc/13/12/95/531131295.db2.gz AWJVNBRPMODHLC-SSDOTTSWSA-N -2 3 378.407 0.928 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1F ZINC000676351852 531138120 /nfs/dbraw/zinc/13/81/20/531138120.db2.gz SZJJDFIESVVABB-UHFFFAOYSA-N -2 3 378.407 0.187 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2S(N)(=O)=O)ccc1[O-] ZINC000436705791 531146484 /nfs/dbraw/zinc/14/64/84/531146484.db2.gz AGFQVIUDWRUIGD-UHFFFAOYSA-N -2 3 386.407 0.627 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1F ZINC000677958107 531149099 /nfs/dbraw/zinc/14/90/99/531149099.db2.gz VJSUMFODDFEKNE-UHFFFAOYSA-N -2 3 392.434 0.577 20 0 GCADHL CCS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000438877679 531156559 /nfs/dbraw/zinc/15/65/59/531156559.db2.gz WSUJOFSTJZOARE-UHFFFAOYSA-N -2 3 380.419 0.084 20 0 GCADHL Cn1nncc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000629289596 531161622 /nfs/dbraw/zinc/16/16/22/531161622.db2.gz LZZFQIBQNJFVPG-UHFFFAOYSA-N -2 3 375.407 0.196 20 0 GCADHL COc1cc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)c(F)cc1C(=O)[O-] ZINC000629326000 531165164 /nfs/dbraw/zinc/16/51/64/531165164.db2.gz SLTQNYNYVYLWSC-UHFFFAOYSA-N -2 3 398.434 0.556 20 0 GCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000681563387 531166995 /nfs/dbraw/zinc/16/69/95/531166995.db2.gz QMLPWECTDJZFJT-SECBINFHSA-N -3 3 390.801 0.821 20 0 GCADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)C(=O)[O-] ZINC000681573098 531167370 /nfs/dbraw/zinc/16/73/70/531167370.db2.gz ZVRYOVHPHFGGRO-JTQLQIEISA-N -2 3 398.528 0.619 20 0 GCADHL CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000555374913 531169205 /nfs/dbraw/zinc/16/92/05/531169205.db2.gz PBLHRUYNJSITQK-CYBMUJFWSA-N -2 3 376.456 0.469 20 0 GCADHL C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000564918972 531177057 /nfs/dbraw/zinc/17/70/57/531177057.db2.gz OZLMVWHPRBBDIU-NSHDSACASA-N -2 3 388.467 0.470 20 0 GCADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-] ZINC000566020107 531192945 /nfs/dbraw/zinc/19/29/45/531192945.db2.gz CWYHESKRMOFGDH-LLVKDONJSA-N -2 3 386.195 0.711 20 0 GCADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000566119093 531194540 /nfs/dbraw/zinc/19/45/40/531194540.db2.gz QPTMSJHBVGMTLD-BXUZGUMPSA-N -2 3 392.499 0.961 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(F)c1 ZINC000443149396 531197855 /nfs/dbraw/zinc/19/78/55/531197855.db2.gz WRRQNKQPMIGVQP-SECBINFHSA-N -2 3 380.341 0.399 20 0 GCADHL O=S(=O)([N-]CC(F)(F)F)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000443100865 531197340 /nfs/dbraw/zinc/19/73/40/531197340.db2.gz JZUWKYKTKGWSCS-UHFFFAOYSA-N -2 3 397.347 0.229 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)cn12 ZINC000737533595 598856226 /nfs/dbraw/zinc/85/62/26/598856226.db2.gz NVTHIFBPBHAYRA-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)cn12 ZINC000737533595 598856227 /nfs/dbraw/zinc/85/62/27/598856227.db2.gz NVTHIFBPBHAYRA-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)cn12 ZINC000737532548 598856362 /nfs/dbraw/zinc/85/63/62/598856362.db2.gz JEQXRVKXOCYKNA-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1nnc2ccc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)cn12 ZINC000737532548 598856364 /nfs/dbraw/zinc/85/63/64/598856364.db2.gz JEQXRVKXOCYKNA-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736972355 598858885 /nfs/dbraw/zinc/85/88/85/598858885.db2.gz XOFZKAYADYZWOT-FZMZJTMJSA-N -2 3 397.457 0.751 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736972355 598858887 /nfs/dbraw/zinc/85/88/87/598858887.db2.gz XOFZKAYADYZWOT-FZMZJTMJSA-N -2 3 397.457 0.751 20 0 GCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736957762 598911716 /nfs/dbraw/zinc/91/17/16/598911716.db2.gz SIPCWYYBWNXGNM-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL COC(=O)c1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736957762 598911717 /nfs/dbraw/zinc/91/17/17/598911717.db2.gz SIPCWYYBWNXGNM-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000737301647 598931661 /nfs/dbraw/zinc/93/16/61/598931661.db2.gz PIIMKOZKARHPJQ-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(CC(=O)N(C)C)n1 ZINC000737301647 598931662 /nfs/dbraw/zinc/93/16/62/598931662.db2.gz PIIMKOZKARHPJQ-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC000737225326 598948718 /nfs/dbraw/zinc/94/87/18/598948718.db2.gz MJSNFOAEUVPTOZ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC000737225326 598948722 /nfs/dbraw/zinc/94/87/22/598948722.db2.gz MJSNFOAEUVPTOZ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000737224879 598948734 /nfs/dbraw/zinc/94/87/34/598948734.db2.gz IWRDNXMZUSIMJU-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1S(N)(=O)=O ZINC000737224879 598948736 /nfs/dbraw/zinc/94/87/36/598948736.db2.gz IWRDNXMZUSIMJU-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)C(C)C ZINC000736935952 598975509 /nfs/dbraw/zinc/97/55/09/598975509.db2.gz LOVNDLDGIQCLQW-GFCCVEGCSA-N -2 3 396.429 0.361 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)C(C)C ZINC000736935952 598975511 /nfs/dbraw/zinc/97/55/11/598975511.db2.gz LOVNDLDGIQCLQW-GFCCVEGCSA-N -2 3 396.429 0.361 20 0 GCADHL Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000737258015 598975625 /nfs/dbraw/zinc/97/56/25/598975625.db2.gz XGWBPZXUHJWFAP-UHFFFAOYSA-N -2 3 389.441 0.884 20 0 GCADHL Cc1cc(C)n(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000737258015 598975628 /nfs/dbraw/zinc/97/56/28/598975628.db2.gz XGWBPZXUHJWFAP-UHFFFAOYSA-N -2 3 389.441 0.884 20 0 GCADHL Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737298368 598976268 /nfs/dbraw/zinc/97/62/68/598976268.db2.gz IJRJVFGMUBBZIJ-UHFFFAOYSA-N -2 3 389.441 0.573 20 0 GCADHL Cc1nn(C)c(C)c1CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737298368 598976269 /nfs/dbraw/zinc/97/62/69/598976269.db2.gz IJRJVFGMUBBZIJ-UHFFFAOYSA-N -2 3 389.441 0.573 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1S(N)(=O)=O ZINC000737296774 599098510 /nfs/dbraw/zinc/09/85/10/599098510.db2.gz OQKOXOZXBKCUFH-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL O=S(=O)([N-]c1ccc(N2CCOCC2)cn1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342914 599193753 /nfs/dbraw/zinc/19/37/53/599193753.db2.gz SLTXGQVAYJMZRK-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[C@H]1CN(C)CCO1 ZINC000820437671 607259599 /nfs/dbraw/zinc/25/95/99/607259599.db2.gz BBOBIPPBMCICBX-QPUJVOFHSA-N -2 3 388.400 0.142 20 0 GCADHL O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737838216 599219129 /nfs/dbraw/zinc/21/91/29/599219129.db2.gz YMFUFVLEZGNERK-UHFFFAOYSA-N -2 3 388.409 0.314 20 0 GCADHL O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737838216 599219131 /nfs/dbraw/zinc/21/91/31/599219131.db2.gz YMFUFVLEZGNERK-UHFFFAOYSA-N -2 3 388.409 0.314 20 0 GCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc2n(C)c1=O ZINC000822595999 599233954 /nfs/dbraw/zinc/23/39/54/599233954.db2.gz GFIDUYHZBUXVLB-UHFFFAOYSA-N -2 3 386.397 0.253 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736186320 598306707 /nfs/dbraw/zinc/30/67/07/598306707.db2.gz YRJFGDVGKJVCNM-NEPJUHHUSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000736186320 598306709 /nfs/dbraw/zinc/30/67/09/598306709.db2.gz YRJFGDVGKJVCNM-NEPJUHHUSA-N -2 3 395.441 0.649 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736624469 598331746 /nfs/dbraw/zinc/33/17/46/598331746.db2.gz ZAYQLNWZRMGKAN-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736624469 598331749 /nfs/dbraw/zinc/33/17/49/598331749.db2.gz ZAYQLNWZRMGKAN-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL Cc1nn2c(S[C@H](C)C(=O)Nc3cccc(-c4nnn[n-]4)c3)n[n-]c2nc1=O ZINC000737521937 598378892 /nfs/dbraw/zinc/37/88/92/598378892.db2.gz LCGIMAZBIYGNBE-MRVPVSSYSA-N -2 3 398.412 0.420 20 0 GCADHL Cc1nn2c(S[C@H](C)C(=O)Nc3cccc(-c4nn[n-]n4)c3)n[n-]c2nc1=O ZINC000737521937 598378893 /nfs/dbraw/zinc/37/88/93/598378893.db2.gz LCGIMAZBIYGNBE-MRVPVSSYSA-N -2 3 398.412 0.420 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C ZINC000736727083 598412767 /nfs/dbraw/zinc/41/27/67/598412767.db2.gz AVVNYRZVEJZRJY-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736727083 598412768 /nfs/dbraw/zinc/41/27/68/598412768.db2.gz AVVNYRZVEJZRJY-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736412483 598414436 /nfs/dbraw/zinc/41/44/36/598414436.db2.gz PTKUAGUUHPDAFD-UHFFFAOYSA-N -2 3 386.821 0.241 20 0 GCADHL CCCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736412483 598414438 /nfs/dbraw/zinc/41/44/38/598414438.db2.gz PTKUAGUUHPDAFD-UHFFFAOYSA-N -2 3 386.821 0.241 20 0 GCADHL NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c[nH]1 ZINC000737754528 598415302 /nfs/dbraw/zinc/41/53/02/598415302.db2.gz FGGLWYLKXSTFPQ-UHFFFAOYSA-N -2 3 395.788 0.066 20 0 GCADHL NC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c[nH]1 ZINC000737754528 598415303 /nfs/dbraw/zinc/41/53/03/598415303.db2.gz FGGLWYLKXSTFPQ-UHFFFAOYSA-N -2 3 395.788 0.066 20 0 GCADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)[nH]n1 ZINC000736679248 598416459 /nfs/dbraw/zinc/41/64/59/598416459.db2.gz PLKRTOSJNOYNIN-UHFFFAOYSA-N -2 3 381.805 0.924 20 0 GCADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)[nH]n1 ZINC000736679248 598416460 /nfs/dbraw/zinc/41/64/60/598416460.db2.gz PLKRTOSJNOYNIN-UHFFFAOYSA-N -2 3 381.805 0.924 20 0 GCADHL CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736479046 598424583 /nfs/dbraw/zinc/42/45/83/598424583.db2.gz HRZWHQAYZIORMH-UHFFFAOYSA-N -2 3 393.411 0.690 20 0 GCADHL CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736479046 598424585 /nfs/dbraw/zinc/42/45/85/598424585.db2.gz HRZWHQAYZIORMH-UHFFFAOYSA-N -2 3 393.411 0.690 20 0 GCADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736938950 598485667 /nfs/dbraw/zinc/48/56/67/598485667.db2.gz WVEKCHOPBQDFIS-UHFFFAOYSA-N -2 3 388.793 0.071 20 0 GCADHL COC(=O)NCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736938950 598485668 /nfs/dbraw/zinc/48/56/68/598485668.db2.gz WVEKCHOPBQDFIS-UHFFFAOYSA-N -2 3 388.793 0.071 20 0 GCADHL NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000737769906 598512035 /nfs/dbraw/zinc/51/20/35/598512035.db2.gz QLPXIGQWIHLMPT-UHFFFAOYSA-N -2 3 380.411 0.315 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736934734 598516235 /nfs/dbraw/zinc/51/62/35/598516235.db2.gz CJZFEHQMQWPHGE-LLVKDONJSA-N -2 3 382.402 0.052 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736934734 598516237 /nfs/dbraw/zinc/51/62/37/598516237.db2.gz CJZFEHQMQWPHGE-LLVKDONJSA-N -2 3 382.402 0.052 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1S(N)(=O)=O ZINC000737280592 598595572 /nfs/dbraw/zinc/59/55/72/598595572.db2.gz MYPRCDQGQQVGDH-UHFFFAOYSA-N -2 3 395.426 0.018 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735795559 598733773 /nfs/dbraw/zinc/73/37/73/598733773.db2.gz OOGLXEYJZUDHBC-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL CC(C)CCC(=O)NCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735795559 598733775 /nfs/dbraw/zinc/73/37/75/598733775.db2.gz OOGLXEYJZUDHBC-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)N1CCCC1 ZINC000737833624 598735783 /nfs/dbraw/zinc/73/57/83/598735783.db2.gz YPMXWWZQWIIGAF-UHFFFAOYSA-N -2 3 394.457 0.873 20 0 GCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)N1CCCC1 ZINC000737833624 598735786 /nfs/dbraw/zinc/73/57/86/598735786.db2.gz YPMXWWZQWIIGAF-UHFFFAOYSA-N -2 3 394.457 0.873 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737627659 598799019 /nfs/dbraw/zinc/79/90/19/598799019.db2.gz MILXGWBICBPNCI-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737627659 598799020 /nfs/dbraw/zinc/79/90/20/598799020.db2.gz MILXGWBICBPNCI-UHFFFAOYSA-N -2 3 384.381 0.267 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821285904 599624667 /nfs/dbraw/zinc/62/46/67/599624667.db2.gz LKZXDJUOVYJZRG-UHFFFAOYSA-N -2 3 380.430 0.286 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821285904 599624668 /nfs/dbraw/zinc/62/46/68/599624668.db2.gz LKZXDJUOVYJZRG-UHFFFAOYSA-N -2 3 380.430 0.286 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000821165862 599626142 /nfs/dbraw/zinc/62/61/42/599626142.db2.gz XNJQGICJROLCIT-CYBMUJFWSA-N -2 3 382.446 0.583 20 0 GCADHL CCN(C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000821165862 599626143 /nfs/dbraw/zinc/62/61/43/599626143.db2.gz XNJQGICJROLCIT-CYBMUJFWSA-N -2 3 382.446 0.583 20 0 GCADHL O=C([O-])[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000739370514 599745641 /nfs/dbraw/zinc/74/56/41/599745641.db2.gz GDDJOOGLMLKYOL-CQSZACIVSA-N -2 3 382.369 0.802 20 0 GCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249708 607397785 /nfs/dbraw/zinc/39/77/85/607397785.db2.gz PRZUMNJWIVYWNX-UHFFFAOYSA-N -2 3 375.414 0.644 20 0 GCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249708 607397787 /nfs/dbraw/zinc/39/77/87/607397787.db2.gz PRZUMNJWIVYWNX-UHFFFAOYSA-N -2 3 375.414 0.644 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1F ZINC000736477576 600181733 /nfs/dbraw/zinc/18/17/33/600181733.db2.gz HSDCDXKVHZRXTI-UHFFFAOYSA-N -2 3 385.377 0.510 20 0 GCADHL CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1 ZINC000736457789 600184090 /nfs/dbraw/zinc/18/40/90/600184090.db2.gz RSKLBAYIBCKGPD-UHFFFAOYSA-N -2 3 399.404 0.852 20 0 GCADHL COC(=O)C[C@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC000737597443 600245261 /nfs/dbraw/zinc/24/52/61/600245261.db2.gz JJDYEGXRXZVBTB-ZDUSSCGKSA-N -2 3 388.380 0.205 20 0 GCADHL O=C([O-])CCSCCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000739743962 600261419 /nfs/dbraw/zinc/26/14/19/600261419.db2.gz KUZZTRXNWOAIQL-UHFFFAOYSA-N -2 3 380.220 0.036 20 0 GCADHL CN(C(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)[C@@H]1CN2CCC1CC2 ZINC000737336008 600274658 /nfs/dbraw/zinc/27/46/58/600274658.db2.gz GTKFKHISSGZBGM-QGZVFWFLSA-N -2 3 384.436 0.959 20 0 GCADHL Cn1c(=O)[nH]c(=O)c2cc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)cnc21 ZINC000738996875 600554621 /nfs/dbraw/zinc/55/46/21/600554621.db2.gz CXVCOMWOXFCTKU-UHFFFAOYSA-N -2 3 390.381 0.545 20 0 GCADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825338724 607461649 /nfs/dbraw/zinc/46/16/49/607461649.db2.gz GNSMQNVHSLRJTQ-UHFFFAOYSA-N -2 3 377.386 0.957 20 0 GCADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000832950091 600685737 /nfs/dbraw/zinc/68/57/37/600685737.db2.gz ATCFAFADVIRPIS-UHFFFAOYSA-N -3 3 388.427 0.448 20 0 GCADHL COC(=O)c1sc2[n-]c(CN3CC[C@@H](CCO)C3)nc(=O)c2c1CC(=O)[O-] ZINC000737724023 600969823 /nfs/dbraw/zinc/96/98/23/600969823.db2.gz RNKKMLIZBCTXFU-VIFPVBQESA-N -2 3 395.437 0.603 20 0 GCADHL O=C([O-])CN(CCN1CCOCC1)Cn1[n-]c(-c2ccccn2)nc1=S ZINC000833248573 600985383 /nfs/dbraw/zinc/98/53/83/600985383.db2.gz UOZIISVPMKSCTC-UHFFFAOYSA-N -2 3 378.458 0.679 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(S(N)(=O)=O)s2)cc1C(=O)[O-] ZINC000833027340 601215184 /nfs/dbraw/zinc/21/51/84/601215184.db2.gz RBQRHAAVVKBWTQ-UHFFFAOYSA-N -2 3 380.425 0.474 20 0 GCADHL CCCNC(=O)CN1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000829514159 601216026 /nfs/dbraw/zinc/21/60/26/601216026.db2.gz WZDXNOXZGVPHJJ-UHFFFAOYSA-N -2 3 387.458 0.555 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)c1F ZINC000328156233 601230290 /nfs/dbraw/zinc/23/02/90/601230290.db2.gz PFYCZKVUUVOVCC-UHFFFAOYSA-N -2 3 378.353 0.190 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)s1 ZINC000831331496 601270391 /nfs/dbraw/zinc/27/03/91/601270391.db2.gz SSWABAJCMDFHBP-UHFFFAOYSA-N -2 3 393.439 0.846 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c(C)o1 ZINC000831028901 601272700 /nfs/dbraw/zinc/27/27/00/601272700.db2.gz CAMNQNLVEBVGAS-ZDUSSCGKSA-N -2 3 380.378 0.989 20 0 GCADHL CC[C@@H](C)[C@@H](NC(=O)COC(=O)c1cc(S(=O)(=O)[N-]C)oc1C)C(=O)[O-] ZINC000828727478 601357727 /nfs/dbraw/zinc/35/77/27/601357727.db2.gz CVKOEVAWEOVNBC-AMIZOPFISA-N -2 3 390.414 0.268 20 0 GCADHL CC(C)OCCS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000827030277 601477003 /nfs/dbraw/zinc/47/70/03/601477003.db2.gz CRXFLPPOHPCXRG-LLVKDONJSA-N -2 3 376.456 0.896 20 0 GCADHL COC[C@@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000831623852 601690812 /nfs/dbraw/zinc/69/08/12/601690812.db2.gz WOIMPMKYDOPKIO-OAHLLOKOSA-N -2 3 376.406 0.732 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1-c1nnn[n-]1 ZINC000826303897 607536356 /nfs/dbraw/zinc/53/63/56/607536356.db2.gz LIHMNCNANSVTRI-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(N)=O)n2)c1-c1nn[n-]n1 ZINC000826303897 607536358 /nfs/dbraw/zinc/53/63/58/607536358.db2.gz LIHMNCNANSVTRI-UHFFFAOYSA-N -2 3 376.402 0.048 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCS(=O)(=O)C2)c(Br)o1 ZINC000055313133 602140100 /nfs/dbraw/zinc/14/01/00/602140100.db2.gz OVAXCNSZOCDQNW-RXMQYKEDSA-N -2 3 388.217 0.206 20 0 GCADHL Cc1noc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1 ZINC000230952117 602150685 /nfs/dbraw/zinc/15/06/85/602150685.db2.gz ZLSZAVDFTWCAPZ-UHFFFAOYSA-N -2 3 380.176 0.953 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c(Br)o1 ZINC000833303290 602162738 /nfs/dbraw/zinc/16/27/38/602162738.db2.gz PLPGBUCWYWMANX-LURJTMIESA-N -2 3 393.215 0.782 20 0 GCADHL C[C@@H](CC(=O)N[C@@H](C(=O)[O-])C1CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827226178 602190736 /nfs/dbraw/zinc/19/07/36/602190736.db2.gz IQCROTYGIFSEKM-QPUJVOFHSA-N -2 3 375.834 0.771 20 0 GCADHL C[C@H](CC(=O)N[C@]1(C(=O)[O-])CCOC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827227361 602195631 /nfs/dbraw/zinc/19/56/31/602195631.db2.gz WYCKUSNOFUDFNT-YMTOWFKASA-N -2 3 391.833 0.152 20 0 GCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000831071647 602205361 /nfs/dbraw/zinc/20/53/61/602205361.db2.gz DYBMRZRKMDZXFZ-JTQLQIEISA-N -2 3 380.216 0.885 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cnn2c1CCCC2 ZINC000826449595 607564725 /nfs/dbraw/zinc/56/47/25/607564725.db2.gz AFPSXRZZIRWDCW-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cnn2c1CCCC2 ZINC000826449595 607564726 /nfs/dbraw/zinc/56/47/26/607564726.db2.gz AFPSXRZZIRWDCW-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL C[C@H](CC(=O)N1CCN(C(=O)[O-])CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000737656937 602450083 /nfs/dbraw/zinc/45/00/83/602450083.db2.gz PERCXXSMODFTOO-SNVBAGLBSA-N -2 3 390.849 0.614 20 0 GCADHL O=S(=O)([N-]C[C@@H](O)COCC1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488904 607631297 /nfs/dbraw/zinc/63/12/97/607631297.db2.gz CDYPJMINHFCKST-SNVBAGLBSA-N -2 3 389.384 0.211 20 0 GCADHL O=S(=O)([N-]C[C@]1(O)CCSC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490513 607661345 /nfs/dbraw/zinc/66/13/45/607661345.db2.gz XVTLVKFEXALPBK-GFCCVEGCSA-N -2 3 377.398 0.291 20 0 GCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825848870 607694806 /nfs/dbraw/zinc/69/48/06/607694806.db2.gz GVPPWYHWMBRFHE-UHFFFAOYSA-N -2 3 391.388 0.903 20 0 GCADHL CN(C)C(=O)c1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825848870 607694808 /nfs/dbraw/zinc/69/48/08/607694808.db2.gz GVPPWYHWMBRFHE-UHFFFAOYSA-N -2 3 391.388 0.903 20 0 GCADHL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825517723 607694955 /nfs/dbraw/zinc/69/49/55/607694955.db2.gz JQRLFLYHXJETHK-UHFFFAOYSA-N -2 3 395.426 0.625 20 0 GCADHL CCOC(=O)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825517723 607694956 /nfs/dbraw/zinc/69/49/56/607694956.db2.gz JQRLFLYHXJETHK-UHFFFAOYSA-N -2 3 395.426 0.625 20 0 GCADHL CNC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000830979066 604506583 /nfs/dbraw/zinc/50/65/83/604506583.db2.gz PJXWKEXDPGHJBW-MRVPVSSYSA-N -2 3 383.220 0.789 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]2(O)CCOC2)c(F)cc1Br ZINC000833780252 604511526 /nfs/dbraw/zinc/51/15/26/604511526.db2.gz PTMHMNTZLMLFBX-GFCCVEGCSA-N -2 3 398.206 0.716 20 0 GCADHL C[C@H]1CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)C[C@H]1C(=O)[O-] ZINC000828479983 604811449 /nfs/dbraw/zinc/81/14/49/604811449.db2.gz ZGCKZFFWKVOCEO-WCBMZHEXSA-N -2 3 380.419 0.538 20 0 GCADHL C[C@@H](CC(=O)NC1(C(=O)[O-])CCC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000833514600 604897370 /nfs/dbraw/zinc/89/73/70/604897370.db2.gz VGLZBAVOCCHFEN-VIFPVBQESA-N -2 3 375.834 0.915 20 0 GCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833597409 605041272 /nfs/dbraw/zinc/04/12/72/605041272.db2.gz LNEFHGCMXFMZMH-IAQYHMDHSA-N -2 3 392.437 0.732 20 0 GCADHL Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3csnc3C(=O)[O-])C2=O)n(C)n1 ZINC000833745713 605042025 /nfs/dbraw/zinc/04/20/25/605042025.db2.gz BZHZKPXOUVBKCV-SECBINFHSA-N -2 3 399.454 0.357 20 0 GCADHL COc1ccccc1N1CC[C@H]([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])C1=O ZINC000833736216 605046254 /nfs/dbraw/zinc/04/62/54/605046254.db2.gz AUQQIHZHJLQIKS-JTQLQIEISA-N -2 3 394.409 0.509 20 0 GCADHL CC(C)C[C@H](NC(=O)C[N-]S(=O)(=O)Cc1c(F)cccc1F)C(=O)[O-] ZINC000833492670 605210243 /nfs/dbraw/zinc/21/02/43/605210243.db2.gz NQCDAABGUSQVLE-ZDUSSCGKSA-N -2 3 378.397 1.000 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819788242 606134073 /nfs/dbraw/zinc/13/40/73/606134073.db2.gz CSKNFAATJRWGLL-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CC[C@](C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819788242 606134075 /nfs/dbraw/zinc/13/40/75/606134075.db2.gz CSKNFAATJRWGLL-INIZCTEOSA-N -2 3 392.441 0.071 20 0 GCADHL O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NCCCc1n[nH]c(=O)[n-]1 ZINC000822954921 606194488 /nfs/dbraw/zinc/19/44/88/606194488.db2.gz FNFHKDAIWHMSLF-UHFFFAOYSA-N -2 3 386.416 0.989 20 0 GCADHL O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NCCCc1n[nH]c(=O)[n-]1 ZINC000822954921 606194490 /nfs/dbraw/zinc/19/44/90/606194490.db2.gz FNFHKDAIWHMSLF-UHFFFAOYSA-N -2 3 386.416 0.989 20 0 GCADHL COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821656185 606205764 /nfs/dbraw/zinc/20/57/64/606205764.db2.gz ZISCKIMUCUNDNH-VXGBXAGGSA-N -2 3 393.425 0.651 20 0 GCADHL COC(=O)[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821656185 606205765 /nfs/dbraw/zinc/20/57/65/606205765.db2.gz ZISCKIMUCUNDNH-VXGBXAGGSA-N -2 3 393.425 0.651 20 0 GCADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-c4nnn[n-]4)cc3C)nc2n1 ZINC000822161701 606392325 /nfs/dbraw/zinc/39/23/25/606392325.db2.gz TXKKQIRLYIHFGX-UHFFFAOYSA-N -2 3 387.385 0.015 20 0 GCADHL Cc1cc(=O)n2[n-]c(NS(=O)(=O)c3ccc(-c4nn[n-]n4)cc3C)nc2n1 ZINC000822161701 606392327 /nfs/dbraw/zinc/39/23/27/606392327.db2.gz TXKKQIRLYIHFGX-UHFFFAOYSA-N -2 3 387.385 0.015 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000822645527 606406543 /nfs/dbraw/zinc/40/65/43/606406543.db2.gz BNAHXLLPKSSVLT-UHFFFAOYSA-N -2 3 390.381 0.095 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000822645527 606406545 /nfs/dbraw/zinc/40/65/45/606406545.db2.gz BNAHXLLPKSSVLT-UHFFFAOYSA-N -2 3 390.381 0.095 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000821566371 606437375 /nfs/dbraw/zinc/43/73/75/606437375.db2.gz AOSOEKRXTZLQEB-SNVBAGLBSA-N -2 3 391.413 0.356 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000821566371 606437376 /nfs/dbraw/zinc/43/73/76/606437376.db2.gz AOSOEKRXTZLQEB-SNVBAGLBSA-N -2 3 391.413 0.356 20 0 GCADHL CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821674286 606654030 /nfs/dbraw/zinc/65/40/30/606654030.db2.gz ZYPMQTSMNIVOIZ-ZCFIWIBFSA-N -2 3 390.219 0.469 20 0 GCADHL CO[C@H](C)C(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821674286 606654031 /nfs/dbraw/zinc/65/40/31/606654031.db2.gz ZYPMQTSMNIVOIZ-ZCFIWIBFSA-N -2 3 390.219 0.469 20 0 GCADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821666961 606708464 /nfs/dbraw/zinc/70/84/64/606708464.db2.gz NTVSSBAMJPGFRI-UHFFFAOYSA-N -2 3 381.374 0.397 20 0 GCADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821475824 606708485 /nfs/dbraw/zinc/70/84/85/606708485.db2.gz AMFFGGSLUCAMDV-UHFFFAOYSA-N -3 3 377.386 0.662 20 0 GCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1NC(N)=O ZINC000821724930 606788508 /nfs/dbraw/zinc/78/85/08/606788508.db2.gz ZZBRBBZWIPOMTG-UHFFFAOYSA-N -2 3 390.385 0.562 20 0 GCADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1NC(N)=O ZINC000821724930 606788510 /nfs/dbraw/zinc/78/85/10/606788510.db2.gz ZZBRBBZWIPOMTG-UHFFFAOYSA-N -2 3 390.385 0.562 20 0 GCADHL CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000820838279 606795007 /nfs/dbraw/zinc/79/50/07/606795007.db2.gz RFSQYNKNPJSJDH-VIFPVBQESA-N -2 3 386.384 0.434 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c[nH]1 ZINC000821668060 606821051 /nfs/dbraw/zinc/82/10/51/606821051.db2.gz MYRXJPBCSKUFSV-UHFFFAOYSA-N -2 3 391.413 0.848 20 0 GCADHL COCCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000821695456 606866404 /nfs/dbraw/zinc/86/64/04/606866404.db2.gz ZYYKYKFYJNOZNB-UHFFFAOYSA-N -2 3 385.356 0.789 20 0 GCADHL COCCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821695456 606866405 /nfs/dbraw/zinc/86/64/05/606866405.db2.gz ZYYKYKFYJNOZNB-UHFFFAOYSA-N -2 3 385.356 0.789 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000822868567 606866703 /nfs/dbraw/zinc/86/67/03/606866703.db2.gz DMEBFJCAIKHKPB-UHFFFAOYSA-N -2 3 398.355 0.018 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000822868567 606866705 /nfs/dbraw/zinc/86/67/05/606866705.db2.gz DMEBFJCAIKHKPB-UHFFFAOYSA-N -2 3 398.355 0.018 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Cn1cccn1 ZINC000820275803 606885876 /nfs/dbraw/zinc/88/58/76/606885876.db2.gz RYRQGGUCOYCQFH-SECBINFHSA-N -2 3 383.384 0.956 20 0 GCADHL Cn1cc(CCC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000822679998 606889051 /nfs/dbraw/zinc/88/90/51/606889051.db2.gz LKAIDQDDEJPXBC-UHFFFAOYSA-N -2 3 383.384 0.790 20 0 GCADHL CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819928135 606891429 /nfs/dbraw/zinc/89/14/29/606891429.db2.gz JIQQDLZHZPTTQC-UHFFFAOYSA-N -2 3 375.357 0.765 20 0 GCADHL Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822492034 606894147 /nfs/dbraw/zinc/89/41/47/606894147.db2.gz OYAUTULKVWQTQC-UHFFFAOYSA-N -2 3 383.384 0.974 20 0 GCADHL C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820286257 606894954 /nfs/dbraw/zinc/89/49/54/606894954.db2.gz ACIAVJZDVWWDRK-PSASIEDQSA-N -2 3 389.384 0.617 20 0 GCADHL Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822464057 606896087 /nfs/dbraw/zinc/89/60/87/606896087.db2.gz ZKIRGPKEFAZHLV-LLVKDONJSA-N -2 3 396.383 0.858 20 0 GCADHL O=S(=O)([N-][C@H]1CCc2c[nH]nc2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572059 606943781 /nfs/dbraw/zinc/94/37/81/606943781.db2.gz AQHHQBRQPQNLNI-VIFPVBQESA-N -2 3 381.368 0.704 20 0 GCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821657235 606951834 /nfs/dbraw/zinc/95/18/34/606951834.db2.gz KPOIVEXGYLIJDL-ZETCQYMHSA-N -2 3 387.805 0.524 20 0 GCADHL COC(=O)C[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821657235 606951835 /nfs/dbraw/zinc/95/18/35/606951835.db2.gz KPOIVEXGYLIJDL-ZETCQYMHSA-N -2 3 387.805 0.524 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(=O)n(C)c1 ZINC000822209788 607004549 /nfs/dbraw/zinc/00/45/49/607004549.db2.gz XFVBQPFCEYBBAS-UHFFFAOYSA-N -2 3 382.352 0.953 20 0 GCADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc12 ZINC000822496891 607026062 /nfs/dbraw/zinc/02/60/62/607026062.db2.gz VZRZJELJJKCKJT-UHFFFAOYSA-N -2 3 377.415 0.714 20 0 GCADHL COC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821669438 607026130 /nfs/dbraw/zinc/02/61/30/607026130.db2.gz LSZXOODKRCVWFH-UHFFFAOYSA-N -2 3 396.410 0.919 20 0 GCADHL O=c1ccc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)ccc2[nH]1 ZINC000823664614 607027290 /nfs/dbraw/zinc/02/72/90/607027290.db2.gz BGLCGKMOWDVZDI-UHFFFAOYSA-N -2 3 375.395 0.966 20 0 GCADHL O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823005300 607184896 /nfs/dbraw/zinc/18/48/96/607184896.db2.gz KYLFWNWZPQROTN-UHFFFAOYSA-N -2 3 386.393 0.102 20 0 GCADHL O=C(CNC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823005300 607184897 /nfs/dbraw/zinc/18/48/97/607184897.db2.gz KYLFWNWZPQROTN-UHFFFAOYSA-N -2 3 386.393 0.102 20 0 GCADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)c2)n1 ZINC000821471113 607208169 /nfs/dbraw/zinc/20/81/69/607208169.db2.gz VOQQSPFUPKXGTQ-UHFFFAOYSA-N -2 3 392.383 0.822 20 0 GCADHL O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450418 607777593 /nfs/dbraw/zinc/77/75/93/607777593.db2.gz LHBWJYVAYDAMKG-UHFFFAOYSA-N -2 3 392.788 0.615 20 0 GCADHL O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450418 607777594 /nfs/dbraw/zinc/77/75/94/607777594.db2.gz LHBWJYVAYDAMKG-UHFFFAOYSA-N -2 3 392.788 0.615 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000825759416 607837687 /nfs/dbraw/zinc/83/76/87/607837687.db2.gz GADAUWIKUKKNDD-UHFFFAOYSA-N -2 3 395.470 0.905 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000825759416 607837688 /nfs/dbraw/zinc/83/76/88/607837688.db2.gz GADAUWIKUKKNDD-UHFFFAOYSA-N -2 3 395.470 0.905 20 0 GCADHL CC(C)C(=O)NCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824177337 607907279 /nfs/dbraw/zinc/90/72/79/607907279.db2.gz HHBXTKXCWYINCA-UHFFFAOYSA-N -2 3 388.400 0.586 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824045648 607922109 /nfs/dbraw/zinc/92/21/09/607922109.db2.gz NWRDJNIDLKROJT-LLVKDONJSA-N -2 3 379.442 0.875 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824045648 607922110 /nfs/dbraw/zinc/92/21/10/607922110.db2.gz NWRDJNIDLKROJT-LLVKDONJSA-N -2 3 379.442 0.875 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCOCC1 ZINC000824045649 607922248 /nfs/dbraw/zinc/92/22/48/607922248.db2.gz NWRDJNIDLKROJT-NSHDSACASA-N -2 3 379.442 0.875 20 0 GCADHL C[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCOCC1 ZINC000824045649 607922249 /nfs/dbraw/zinc/92/22/49/607922249.db2.gz NWRDJNIDLKROJT-NSHDSACASA-N -2 3 379.442 0.875 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236478 607985653 /nfs/dbraw/zinc/98/56/53/607985653.db2.gz NXFCPJXCKVXTGR-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236478 607985654 /nfs/dbraw/zinc/98/56/54/607985654.db2.gz NXFCPJXCKVXTGR-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824632754 608010415 /nfs/dbraw/zinc/01/04/15/608010415.db2.gz CZZIFWNKEQNCBD-RXMQYKEDSA-N -2 3 376.192 0.381 20 0 GCADHL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000826157778 608010465 /nfs/dbraw/zinc/01/04/65/608010465.db2.gz LKZSHSFZDSVETN-UHFFFAOYSA-N -2 3 375.794 0.242 20 0 GCADHL COCCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826157778 608010466 /nfs/dbraw/zinc/01/04/66/608010466.db2.gz LKZSHSFZDSVETN-UHFFFAOYSA-N -2 3 375.794 0.242 20 0 GCADHL C[C@H](NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000824632755 608010547 /nfs/dbraw/zinc/01/05/47/608010547.db2.gz CZZIFWNKEQNCBD-YFKPBYRVSA-N -2 3 376.192 0.381 20 0 GCADHL O=C([O-])CCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826461056 608010699 /nfs/dbraw/zinc/01/06/99/608010699.db2.gz DOIGQWRKFJFDAO-UHFFFAOYSA-N -2 3 376.192 0.382 20 0 GCADHL O=C([O-])CCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826461056 608010700 /nfs/dbraw/zinc/01/07/00/608010700.db2.gz DOIGQWRKFJFDAO-UHFFFAOYSA-N -2 3 376.192 0.382 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000826358114 608076513 /nfs/dbraw/zinc/07/65/13/608076513.db2.gz FNCSPNWGGWCGQA-UHFFFAOYSA-N -2 3 385.409 0.816 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1cn(C)c2ccccc12 ZINC000826358114 608076514 /nfs/dbraw/zinc/07/65/14/608076514.db2.gz FNCSPNWGGWCGQA-UHFFFAOYSA-N -2 3 385.409 0.816 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826411991 608275004 /nfs/dbraw/zinc/27/50/04/608275004.db2.gz WWLILKFNVNBLMN-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826411991 608275005 /nfs/dbraw/zinc/27/50/05/608275005.db2.gz WWLILKFNVNBLMN-UHFFFAOYSA-N -2 3 398.448 0.875 20 0 GCADHL CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000825242246 608306697 /nfs/dbraw/zinc/30/66/97/608306697.db2.gz MAZGKGOSTDLDDX-SNVBAGLBSA-N -2 3 375.357 0.765 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000825356718 608317624 /nfs/dbraw/zinc/31/76/24/608317624.db2.gz GHUAEGPMOUJXOO-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000825356718 608317626 /nfs/dbraw/zinc/31/76/26/608317626.db2.gz GHUAEGPMOUJXOO-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1CC(=O)[O-] ZINC000826211474 608394303 /nfs/dbraw/zinc/39/43/03/608394303.db2.gz GANHVLFPMMTWAS-UHFFFAOYSA-N -3 3 393.385 0.037 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C(=O)[O-] ZINC000826366465 608395987 /nfs/dbraw/zinc/39/59/87/608395987.db2.gz JNFCWKGFMAJEEK-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL Cn1ncc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C(=O)[O-] ZINC000826366465 608395989 /nfs/dbraw/zinc/39/59/89/608395989.db2.gz JNFCWKGFMAJEEK-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cn1C ZINC000825845478 608415086 /nfs/dbraw/zinc/41/50/86/608415086.db2.gz JZKCKWOWIWKWDW-UHFFFAOYSA-N -2 3 376.402 0.103 20 0 GCADHL CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cn1C ZINC000825845478 608415088 /nfs/dbraw/zinc/41/50/88/608415088.db2.gz JZKCKWOWIWKWDW-UHFFFAOYSA-N -2 3 376.402 0.103 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CO1 ZINC000824812583 608472920 /nfs/dbraw/zinc/47/29/20/608472920.db2.gz NLDTUVLGKWSRRV-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CO1 ZINC000824812583 608472921 /nfs/dbraw/zinc/47/29/21/608472921.db2.gz NLDTUVLGKWSRRV-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826338343 608492200 /nfs/dbraw/zinc/49/22/00/608492200.db2.gz SJJPVJCHQCRDKC-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1nncn1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000826338343 608492201 /nfs/dbraw/zinc/49/22/01/608492201.db2.gz SJJPVJCHQCRDKC-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C(N)=O)c1 ZINC000825879722 608528606 /nfs/dbraw/zinc/52/86/06/608528606.db2.gz PPBIUUQATHQCGQ-UHFFFAOYSA-N -2 3 387.425 0.832 20 0 GCADHL CN(C)c1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C(N)=O)c1 ZINC000825879722 608528607 /nfs/dbraw/zinc/52/86/07/608528607.db2.gz PPBIUUQATHQCGQ-UHFFFAOYSA-N -2 3 387.425 0.832 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000824738140 609161112 /nfs/dbraw/zinc/16/11/12/609161112.db2.gz MGRNFLYDKNEIPG-MFKMUULPSA-N -2 3 381.414 0.259 20 0 GCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825846358 609161694 /nfs/dbraw/zinc/16/16/94/609161694.db2.gz YCMFKTXTQIMFMN-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL CN(C)C(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825846358 609161695 /nfs/dbraw/zinc/16/16/95/609161695.db2.gz YCMFKTXTQIMFMN-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccccn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450478 609257919 /nfs/dbraw/zinc/25/79/19/609257919.db2.gz ODVHNMBTHHWDAH-CQSZACIVSA-N -2 3 399.436 0.736 20 0 GCADHL CCOC(=O)c1cnc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000825564856 609450204 /nfs/dbraw/zinc/45/02/04/609450204.db2.gz HPWBHWYFFPPRMS-UHFFFAOYSA-N -2 3 389.397 0.943 20 0 GCADHL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826280453 609450557 /nfs/dbraw/zinc/45/05/57/609450557.db2.gz CEGYJOJTFSAJLH-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL Cc1ccc(-n2cnnn2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826280453 609450560 /nfs/dbraw/zinc/45/05/60/609450560.db2.gz CEGYJOJTFSAJLH-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL COc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cccc1C(N)=O ZINC000826167088 609457272 /nfs/dbraw/zinc/45/72/72/609457272.db2.gz PAICJMPNRXKIEN-UHFFFAOYSA-N -2 3 392.372 0.914 20 0 GCADHL COc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cccc1C(N)=O ZINC000826167088 609457274 /nfs/dbraw/zinc/45/72/74/609457274.db2.gz PAICJMPNRXKIEN-UHFFFAOYSA-N -2 3 392.372 0.914 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000825565163 609499242 /nfs/dbraw/zinc/49/92/42/609499242.db2.gz NECMOZKGWPABJZ-UHFFFAOYSA-N -2 3 395.376 0.717 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000825565163 609499243 /nfs/dbraw/zinc/49/92/43/609499243.db2.gz NECMOZKGWPABJZ-UHFFFAOYSA-N -2 3 395.376 0.717 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826423786 609615241 /nfs/dbraw/zinc/61/52/41/609615241.db2.gz GOWRXXFKLSEYAC-UHFFFAOYSA-N -2 3 386.759 0.648 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826423786 609615243 /nfs/dbraw/zinc/61/52/43/609615243.db2.gz GOWRXXFKLSEYAC-UHFFFAOYSA-N -2 3 386.759 0.648 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2)NCCc1cccs1 ZINC000064940564 638476733 /nfs/dbraw/zinc/47/67/33/638476733.db2.gz COIZSABOJBHBGU-UHFFFAOYSA-N -2 3 380.451 0.978 20 0 GCADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-] ZINC000097512722 638649432 /nfs/dbraw/zinc/64/94/32/638649432.db2.gz WFLZSPIEPGKTKJ-SSDOTTSWSA-N -2 3 388.623 0.835 20 0 GCADHL C[C@H]1C(=O)N([N-]C(=O)c2ccc(I)cc2[O-])C(=O)N1C ZINC000912817156 639555105 /nfs/dbraw/zinc/55/51/05/639555105.db2.gz ONGFKBVYUNSYBT-LURJTMIESA-N -2 3 389.149 0.924 20 0 GCADHL C[C@H]1C(=O)N([N-]C(=O)c2cc(I)ccc2[O-])C(=O)N1C ZINC000912823045 639555229 /nfs/dbraw/zinc/55/52/29/639555229.db2.gz DUWSKSMQEVTVEP-LURJTMIESA-N -2 3 389.149 0.924 20 0 GCADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000055617706 639587784 /nfs/dbraw/zinc/58/77/84/639587784.db2.gz AVZLIWHHYAOPOM-GFCCVEGCSA-N -2 3 389.499 0.827 20 0 GCADHL Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)o1 ZINC000755744438 640474471 /nfs/dbraw/zinc/47/44/71/640474471.db2.gz IHWYCWHJZHYIAM-UHFFFAOYSA-N -2 3 391.402 0.921 20 0 GCADHL C[S@](=O)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761289249 640591097 /nfs/dbraw/zinc/59/10/97/640591097.db2.gz ANTXOMNFZKQJMR-KRWDZBQOSA-N -2 3 376.275 0.866 20 0 GCADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(C)C ZINC000770903535 640817277 /nfs/dbraw/zinc/81/72/77/640817277.db2.gz XUOMZXMYKMPVHV-LBPRGKRZSA-N -2 3 382.435 0.673 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)Cc2ccoc2)cc1F ZINC000774212449 640880711 /nfs/dbraw/zinc/88/07/11/640880711.db2.gz PWCYRFIFLUHIEQ-UHFFFAOYSA-N -2 3 376.387 0.838 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O ZINC000776438007 641095421 /nfs/dbraw/zinc/09/54/21/641095421.db2.gz QNWZWVDRKSUXBP-ANLVUFKYSA-N -2 3 386.195 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CSc1[n-]nc(NC(=O)COc2ccc(OCC(=O)[O-])cc2)c1C(N)=O ZINC001183903111 1205902167 /nfs/dbraw/zinc/90/21/67/1205902167.db2.gz PGHRDMDNEVHPIJ-UHFFFAOYSA-N -2 3 380.382 0.711 20 0 GCADHL O=C([N-]CC[N-]S(=O)(=O)c1cnc(Cl)nc1)C(F)(F)Br ZINC001185079843 1205916977 /nfs/dbraw/zinc/91/69/77/1205916977.db2.gz IUYNTNQWGDRVGC-UHFFFAOYSA-N -2 3 393.597 0.512 20 0 GCADHL COC(=O)c1nc(OC)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185574072 1205924186 /nfs/dbraw/zinc/92/41/86/1205924186.db2.gz TUDSLGOYJBXXPE-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)c1nc(OC)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185574072 1205924188 /nfs/dbraw/zinc/92/41/88/1205924188.db2.gz TUDSLGOYJBXXPE-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL NC(=O)c1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185566447 1205924335 /nfs/dbraw/zinc/92/43/35/1205924335.db2.gz LMMWSAVPGOCLOD-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185566447 1205924336 /nfs/dbraw/zinc/92/43/36/1205924336.db2.gz LMMWSAVPGOCLOD-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL O=S(=O)([N-]c1ncccc1N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567864 1205924481 /nfs/dbraw/zinc/92/44/81/1205924481.db2.gz HPLUTLPHLDXVEK-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=S(=O)([N-]c1ncccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567864 1205924482 /nfs/dbraw/zinc/92/44/82/1205924482.db2.gz HPLUTLPHLDXVEK-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=P([O-])([O-])COCCn1cnc2c1ncnc2[N-]S(=O)(=O)C1CCC1 ZINC001188104625 1205975184 /nfs/dbraw/zinc/97/51/84/1205975184.db2.gz ISRDKDJRMFVICR-UHFFFAOYSA-N -3 3 391.346 0.272 20 0 GCADHL COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1c([O-])[nH]c(=O)[n-]c1=S ZINC001190282651 1206032630 /nfs/dbraw/zinc/03/26/30/1206032630.db2.gz LLBHYKZJHGWEAV-QMMMGPOBSA-N -2 3 397.356 0.528 20 0 GCADHL Cn1nccc1[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000843337704 939230213 /nfs/dbraw/zinc/23/02/13/939230213.db2.gz KRRSUVSZBUQVFG-AWEZNQCLSA-N -2 3 396.400 0.556 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCC[C@@H](OC)C2)c(C)o1 ZINC000568246686 939365761 /nfs/dbraw/zinc/36/57/61/939365761.db2.gz VOBNZVBVYOULTO-WDMOLILDSA-N -2 3 388.442 0.884 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCC[C@@H](OC)C2)c(C)o1 ZINC000568246683 939365788 /nfs/dbraw/zinc/36/57/88/939365788.db2.gz VOBNZVBVYOULTO-GYSYKLTISA-N -2 3 388.442 0.884 20 0 GCADHL CSc1nc(C2CC2)cc(C(=O)[N-]n2ccc(=O)[nH]c2=O)c1-c1nn[n-]n1 ZINC001571268261 945591823 /nfs/dbraw/zinc/59/18/23/945591823.db2.gz PTGCZGQDZLZSNQ-UHFFFAOYSA-N -2 3 386.397 0.507 20 0 GCADHL O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)N1CCC(n2c(=O)[n-][nH]c2=O)CC1 ZINC001571292469 946094643 /nfs/dbraw/zinc/09/46/43/946094643.db2.gz ZWBXSHGHAUFZST-UHFFFAOYSA-N -2 3 389.351 0.878 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824280806 946644982 /nfs/dbraw/zinc/64/49/82/946644982.db2.gz UUMLWZSDOCTWNP-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824280806 946644984 /nfs/dbraw/zinc/64/49/84/946644984.db2.gz UUMLWZSDOCTWNP-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL CC(=O)NCC[C@@H]1CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001573529075 946669357 /nfs/dbraw/zinc/66/93/57/946669357.db2.gz JEPFQAOPRRVCKI-LBPRGKRZSA-N -2 3 385.432 0.353 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000824730594 946916926 /nfs/dbraw/zinc/91/69/26/946916926.db2.gz PFFSKTUHRMQUCX-NSHDSACASA-N -2 3 375.385 0.774 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824868295 946961278 /nfs/dbraw/zinc/96/12/78/946961278.db2.gz UTCVLBSIFIUTEV-WDEREUQCSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824868295 946961281 /nfs/dbraw/zinc/96/12/81/946961281.db2.gz UTCVLBSIFIUTEV-WDEREUQCSA-N -2 3 377.426 0.818 20 0 GCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2noc(C)c2-c2nnn[n-]2)c1 ZINC000825668995 947281498 /nfs/dbraw/zinc/28/14/98/947281498.db2.gz NYNJCOXJUTYKAB-UHFFFAOYSA-N -2 3 392.397 0.844 20 0 GCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2noc(C)c2-c2nn[n-]n2)c1 ZINC000825668995 947281507 /nfs/dbraw/zinc/28/15/07/947281507.db2.gz NYNJCOXJUTYKAB-UHFFFAOYSA-N -2 3 392.397 0.844 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825759613 947321107 /nfs/dbraw/zinc/32/11/07/947321107.db2.gz KTHGKCAUOVWUHU-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825759613 947321114 /nfs/dbraw/zinc/32/11/14/947321114.db2.gz KTHGKCAUOVWUHU-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000826090806 947425229 /nfs/dbraw/zinc/42/52/29/947425229.db2.gz PQLSQKQVAPCVFX-UHFFFAOYSA-N -2 3 394.438 0.576 20 0 GCADHL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826210845 947616747 /nfs/dbraw/zinc/61/67/47/947616747.db2.gz HFSILUJYLYRRPT-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826210845 947616759 /nfs/dbraw/zinc/61/67/59/947616759.db2.gz HFSILUJYLYRRPT-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000826279145 947801587 /nfs/dbraw/zinc/80/15/87/947801587.db2.gz GYRUYALULGSEAJ-UHFFFAOYSA-N -2 3 383.340 0.885 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccn(C(F)F)n1 ZINC000826279145 947801593 /nfs/dbraw/zinc/80/15/93/947801593.db2.gz GYRUYALULGSEAJ-UHFFFAOYSA-N -2 3 383.340 0.885 20 0 GCADHL O=C(COC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccccc1 ZINC000826415060 948255397 /nfs/dbraw/zinc/25/53/97/948255397.db2.gz QJHCBHNXYHVLHX-INIZCTEOSA-N -2 3 383.364 0.691 20 0 GCADHL O=C(COC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccccc1 ZINC000826415060 948255408 /nfs/dbraw/zinc/25/54/08/948255408.db2.gz QJHCBHNXYHVLHX-INIZCTEOSA-N -2 3 383.364 0.691 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccn(C(F)F)n1 ZINC000826449646 948314402 /nfs/dbraw/zinc/31/44/02/948314402.db2.gz CMGTXNMZHMVSBR-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccn(C(F)F)n1 ZINC000826449646 948314415 /nfs/dbraw/zinc/31/44/15/948314415.db2.gz CMGTXNMZHMVSBR-UHFFFAOYSA-N -2 3 383.340 0.718 20 0 GCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)cn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001148929920 948484261 /nfs/dbraw/zinc/48/42/61/948484261.db2.gz XRPMXTFQABOAHK-KCJUWKMLSA-N -2 3 383.334 0.791 20 0 GCADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)cn2)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001148929920 948484273 /nfs/dbraw/zinc/48/42/73/948484273.db2.gz XRPMXTFQABOAHK-KCJUWKMLSA-N -2 3 383.334 0.791 20 0 GCADHL CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(-c2nnn[n-]2)cs1 ZINC001573876234 950664272 /nfs/dbraw/zinc/66/42/72/950664272.db2.gz GRGQVBMIUJZKPR-QFIPXVFZSA-N -2 3 379.493 0.554 20 0 GCADHL O=C([O-])CN1CCC[C@H](C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001595086161 951730172 /nfs/dbraw/zinc/73/01/72/951730172.db2.gz HHZXMRCEUIULMP-WDEREUQCSA-N -2 3 393.362 0.227 20 0 GCADHL O=C([O-])CN1CCCC[C@@H]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)C1=O ZINC001595096002 951813762 /nfs/dbraw/zinc/81/37/62/951813762.db2.gz CMVKUSCYACIWOT-LLVKDONJSA-N -2 3 380.344 0.848 20 0 GCADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cnn3cc(Br)cnc23)C1 ZINC001595203213 952317987 /nfs/dbraw/zinc/31/79/87/952317987.db2.gz QJKNZGDJOVEJPV-FKQCQYRASA-N -2 3 375.204 0.633 20 0 GCADHL C[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170688 952788136 /nfs/dbraw/zinc/78/81/36/952788136.db2.gz KPANIXCODDWQGM-QWRGUYRKSA-N -2 3 381.400 0.863 20 0 GCADHL C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170688 952788139 /nfs/dbraw/zinc/78/81/39/952788139.db2.gz KPANIXCODDWQGM-QWRGUYRKSA-N -2 3 381.400 0.863 20 0 GCADHL C[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170691 952788319 /nfs/dbraw/zinc/78/83/19/952788319.db2.gz KPANIXCODDWQGM-WDEREUQCSA-N -2 3 381.400 0.863 20 0 GCADHL C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170691 952788323 /nfs/dbraw/zinc/78/83/23/952788323.db2.gz KPANIXCODDWQGM-WDEREUQCSA-N -2 3 381.400 0.863 20 0 GCADHL C[C@@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170685 952788353 /nfs/dbraw/zinc/78/83/53/952788353.db2.gz KPANIXCODDWQGM-GHMZBOCLSA-N -2 3 381.400 0.863 20 0 GCADHL C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)c1ncccc1[O-] ZINC001571170685 952788357 /nfs/dbraw/zinc/78/83/57/952788357.db2.gz KPANIXCODDWQGM-GHMZBOCLSA-N -2 3 381.400 0.863 20 0 GCADHL CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nnn[n-]2)cn1 ZINC001571171597 952794903 /nfs/dbraw/zinc/79/49/03/952794903.db2.gz SWCSEZMXVHVINJ-LBPRGKRZSA-N -2 3 381.400 0.720 20 0 GCADHL CC1(C)CN(C(=O)c2ncccc2[O-])C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571171597 952794907 /nfs/dbraw/zinc/79/49/07/952794907.db2.gz SWCSEZMXVHVINJ-LBPRGKRZSA-N -2 3 381.400 0.720 20 0 GCADHL O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001571176569 952833284 /nfs/dbraw/zinc/83/32/84/952833284.db2.gz UYWWCNCMTBPOBJ-NSHDSACASA-N -2 3 381.400 0.404 20 0 GCADHL C[C@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194859 952969541 /nfs/dbraw/zinc/96/95/41/952969541.db2.gz TVVFAGWDAKEWTR-VHSXEESVSA-N -2 3 382.384 0.328 20 0 GCADHL O=c1cc(CN[C@H]([C@@H]2CCOC2)C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571234945 953206917 /nfs/dbraw/zinc/20/69/17/953206917.db2.gz NMTVPBCHRGQSCI-RDDDGLTNSA-N -2 3 384.322 0.672 20 0 GCADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)CC2)C1 ZINC000653462007 954178807 /nfs/dbraw/zinc/17/88/07/954178807.db2.gz OXZNVGVLFHURNC-NSHDSACASA-N -2 3 385.376 0.108 20 0 GCADHL O=C([O-])[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCO1 ZINC001594861068 954275858 /nfs/dbraw/zinc/27/58/58/954275858.db2.gz JIUOHDQDPMYTPE-GFCCVEGCSA-N -2 3 382.847 0.430 20 0 GCADHL O=C([O-])C1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCS(=O)(=O)CC1 ZINC001594869032 954331153 /nfs/dbraw/zinc/33/11/53/954331153.db2.gz ZKSXCLXMCRDASP-HAQNSBGRSA-N -2 3 397.453 0.604 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCN1CC[C@@H](F)C1 ZINC001594891672 954536541 /nfs/dbraw/zinc/53/65/41/954536541.db2.gz XIISZWRSZXCQSF-FOGDFJRCSA-N -2 3 383.342 0.543 20 0 GCADHL O=C([O-])C1(CNC(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCOCC1 ZINC000831057388 955546659 /nfs/dbraw/zinc/54/66/59/955546659.db2.gz HXYWXJYRVARCEF-LLVKDONJSA-N -2 3 395.378 0.968 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](Cc1ccncc1)C(=O)[O-] ZINC001593895635 955823087 /nfs/dbraw/zinc/82/30/87/955823087.db2.gz SYQBPAVRCJPXFR-JTQLQIEISA-N -2 3 399.812 0.891 20 0 GCADHL Cn1ncc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c1Br ZINC001594587161 956010919 /nfs/dbraw/zinc/01/09/19/956010919.db2.gz XNRCKXFYYNJWOK-UHFFFAOYSA-N -2 3 382.236 0.342 20 0 GCADHL CC1(C)Oc2ccsc2[C@@H]([N-]S(=O)(=O)N2CCC(C(=O)[O-])CC2)[C@@H]1O ZINC001589237978 956846763 /nfs/dbraw/zinc/84/67/63/956846763.db2.gz HTGWLEFTWKRUKN-YPMHNXCESA-N -2 3 390.483 0.952 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)c(Cl)c1 ZINC001594169417 958973113 /nfs/dbraw/zinc/97/31/13/958973113.db2.gz MCSSIRWNMWYPSX-VFZGTOFNSA-N -2 3 388.829 0.885 20 0 GCADHL O=C([O-])[C@H]1CC(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)=NN1c1ccccc1 ZINC001605749472 972402764 /nfs/dbraw/zinc/40/27/64/972402764.db2.gz QMUBFUNBPCXRJO-SWLSCSKDSA-N -2 3 396.407 0.597 20 0 GCADHL C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001603250946 972424928 /nfs/dbraw/zinc/42/49/28/972424928.db2.gz UKBVOQBSKIHVDL-DCAQKATOSA-N -2 3 386.430 0.134 20 0 GCADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccnc1C(=O)[O-] ZINC001594457063 959427784 /nfs/dbraw/zinc/42/77/84/959427784.db2.gz VUVQKCNURABOEE-UHFFFAOYSA-N -2 3 387.396 0.992 20 0 GCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001594467612 959512903 /nfs/dbraw/zinc/51/29/03/959512903.db2.gz FOWBVDMJUZAIOU-GFCCVEGCSA-N -2 3 376.413 0.347 20 0 GCADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC001573637198 959602984 /nfs/dbraw/zinc/60/29/84/959602984.db2.gz ZIHVLEPMZAGUMW-MRVPVSSYSA-N -2 3 391.208 0.467 20 0 GCADHL O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)N[C@H]1CCN(c3cc(=O)[n-]cn3)C1)O2 ZINC001605768820 972457861 /nfs/dbraw/zinc/45/78/61/972457861.db2.gz CXOZUZFGRPJEFG-MWDZPIOTSA-N -2 3 391.428 0.473 20 0 GCADHL CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000231840927 960211020 /nfs/dbraw/zinc/21/10/20/960211020.db2.gz NIFLJLPUGNUXFL-LURJTMIESA-N -2 3 383.220 0.885 20 0 GCADHL NC(=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCOCC1 ZINC001259221404 960681606 /nfs/dbraw/zinc/68/16/06/960681606.db2.gz FWNXPQOCRCBWOH-UHFFFAOYSA-N -2 3 394.808 0.738 20 0 GCADHL Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001324022852 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C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)C1 ZINC000263148874 531000758 /nfs/dbraw/zinc/00/07/58/531000758.db2.gz FESNFZBQZIVIOZ-MNOVXSKESA-N -2 3 375.472 0.779 20 0 GCADHL O=C([O-])[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000263354080 531002135 /nfs/dbraw/zinc/00/21/35/531002135.db2.gz IOFPIINCBICFKR-VIFPVBQESA-N -2 3 377.369 0.359 20 0 GCADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-] ZINC000263458711 531002724 /nfs/dbraw/zinc/00/27/24/531002724.db2.gz CWPOVLCHAHCWRT-NSHDSACASA-N -2 3 386.195 0.711 20 0 GCADHL CO[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)[C@@](C)(C(=O)[O-])C1 ZINC000630313383 531061974 /nfs/dbraw/zinc/06/19/74/531061974.db2.gz ROANSOALIKFOPJ-PKFCDNJMSA-N -2 3 376.456 0.506 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262777205 531065368 /nfs/dbraw/zinc/06/53/68/531065368.db2.gz MYMYWJHCLKVDTO-ZETCQYMHSA-N -2 3 375.453 0.886 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000630224708 531050018 /nfs/dbraw/zinc/05/00/18/531050018.db2.gz SEVLDVUPHYFLQF-LLVKDONJSA-N -2 3 389.499 0.422 20 0 GCADHL Cc1nnc(C[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000540941629 531053445 /nfs/dbraw/zinc/05/34/45/531053445.db2.gz YUPNWUPHFBJMAN-UHFFFAOYSA-N -2 3 380.448 0.836 20 0 GCADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000630277669 531056871 /nfs/dbraw/zinc/05/68/71/531056871.db2.gz RNVLVFVCWITBQR-QWRGUYRKSA-N -2 3 376.456 0.413 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000659785622 531058531 /nfs/dbraw/zinc/05/85/31/531058531.db2.gz YQFBLSJALSVQER-SNVBAGLBSA-N -2 3 375.447 0.918 20 0 GCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-] ZINC000547871683 531104573 /nfs/dbraw/zinc/10/45/73/531104573.db2.gz FUQYBEYWJLVSRY-QMMMGPOBSA-N -2 3 386.407 0.295 20 0 GCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccnc(N3CCCCC3)n2)s1 ZINC000524255000 531090139 /nfs/dbraw/zinc/09/01/39/531090139.db2.gz CHZMMPHEYAPMLF-UHFFFAOYSA-N -2 3 383.459 0.942 20 0 GCADHL COCCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-] ZINC000547877725 531104884 /nfs/dbraw/zinc/10/48/84/531104884.db2.gz UIHNHCYDDKPTBN-SECBINFHSA-N -2 3 398.231 0.198 20 0 GCADHL COCC[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000547553723 531098713 /nfs/dbraw/zinc/09/87/13/531098713.db2.gz WMHBVKKGRWSWFX-SNVBAGLBSA-N -2 3 376.818 0.993 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000547562890 531099081 /nfs/dbraw/zinc/09/90/81/531099081.db2.gz SXXOSPJAPMEYSS-QMMMGPOBSA-N -2 3 383.176 0.735 20 0 GCADHL Cc1sc(S(=O)(=O)[N-]C[C@H](Cc2cnn(C)c2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000547564830 531099159 /nfs/dbraw/zinc/09/91/59/531099159.db2.gz FKHQXMGCMLQVCJ-JTQLQIEISA-N -2 3 388.427 0.920 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])cc1F ZINC000547565453 531099183 /nfs/dbraw/zinc/09/91/83/531099183.db2.gz MXJNDUGXDOKFRZ-LBPRGKRZSA-N -2 3 391.398 0.796 20 0 GCADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1)C(=O)[O-] ZINC000547568991 531099348 /nfs/dbraw/zinc/09/93/48/531099348.db2.gz JKRDBMVJXAAJEI-LLVKDONJSA-N -2 3 377.346 0.297 20 0 GCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)[C@@H]1CCOC1 ZINC000547557983 531099504 /nfs/dbraw/zinc/09/95/04/531099504.db2.gz CRDOOIVGXYBNIC-KSBSHMNSSA-N -2 3 376.774 0.543 20 0 GCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000547575925 531100079 /nfs/dbraw/zinc/10/00/79/531100079.db2.gz KKOJXXYHZUHJDG-AWEZNQCLSA-N -2 3 388.467 0.613 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c(F)c1 ZINC000547585735 531100490 /nfs/dbraw/zinc/10/04/90/531100490.db2.gz BJUHCIXVXYYYQN-IUCAKERBSA-N -3 3 378.403 0.505 20 0 GCADHL Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])c1 ZINC000547614442 531101287 /nfs/dbraw/zinc/10/12/87/531101287.db2.gz FBPPOWWFQOKDFX-LLVKDONJSA-N -2 3 375.353 0.996 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](Cn2cc(C)cn2)C(=O)[O-])s1 ZINC000547881330 531105161 /nfs/dbraw/zinc/10/51/61/531105161.db2.gz BGUISKLZYBYDCR-LBPRGKRZSA-N -2 3 386.455 0.321 20 0 GCADHL O=C([O-])c1cn(CC[N-]S(=O)(=O)c2cccc(Br)c2F)nn1 ZINC000542841688 531069250 /nfs/dbraw/zinc/06/92/50/531069250.db2.gz PSTZRHVPYHTKBL-UHFFFAOYSA-N -2 3 393.194 0.856 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC000548208226 531111191 /nfs/dbraw/zinc/11/11/91/531111191.db2.gz SHBDWMKKTVWUHO-OIBJUYFYSA-N -2 3 379.412 0.311 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c(Br)c1 ZINC000548213037 531111665 /nfs/dbraw/zinc/11/16/65/531111665.db2.gz YCNHEHOPVQCIJI-VIFPVBQESA-N -2 3 396.215 0.614 20 0 GCADHL NC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161793901 531112233 /nfs/dbraw/zinc/11/22/33/531112233.db2.gz RSGMYQHLGJXSMA-QMMMGPOBSA-N -2 3 383.195 0.585 20 0 GCADHL O=C([O-])CC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000548251969 531113222 /nfs/dbraw/zinc/11/32/22/531113222.db2.gz QMLPWECTDJZFJT-VIFPVBQESA-N -3 3 390.801 0.821 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c(F)c1 ZINC000548295745 531114579 /nfs/dbraw/zinc/11/45/79/531114579.db2.gz OFAGTZLBRLQEKZ-LLVKDONJSA-N -2 3 388.446 0.687 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1 ZINC000548529950 531118169 /nfs/dbraw/zinc/11/81/69/531118169.db2.gz OFOASTRWERNMSW-RNCFNFMXSA-N -2 3 375.374 0.770 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548593600 531120257 /nfs/dbraw/zinc/12/02/57/531120257.db2.gz IOIKUAAGRPOMHL-AWEZNQCLSA-N -3 3 377.371 0.473 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548593606 531120389 /nfs/dbraw/zinc/12/03/89/531120389.db2.gz IOIKUAAGRPOMHL-CQSZACIVSA-N -3 3 377.371 0.473 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548596646 531120670 /nfs/dbraw/zinc/12/06/70/531120670.db2.gz QXBYFDCLFLIJHV-LLVKDONJSA-N -3 3 396.418 0.298 20 0 GCADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC(=O)[O-] ZINC000548684258 531121487 /nfs/dbraw/zinc/12/14/87/531121487.db2.gz YKJKHQDCAGJEHZ-OAHLLOKOSA-N -2 3 390.845 0.976 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)N1CCCC1 ZINC000548697455 531121641 /nfs/dbraw/zinc/12/16/41/531121641.db2.gz SCOVTPDQOBAYHI-LLVKDONJSA-N -2 3 379.479 0.960 20 0 GCADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-])C1CC1 ZINC000548868123 531123596 /nfs/dbraw/zinc/12/35/96/531123596.db2.gz SMFWODRADGIKJI-OQPBUACISA-N -3 3 394.446 0.975 20 0 GCADHL C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000433445051 531129495 /nfs/dbraw/zinc/12/94/95/531129495.db2.gz AHYCAXPOLPDXET-TVQRCGJNSA-N -2 3 382.435 0.015 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N=c2nc([C@@H](C)OC)[n-]s2)s1 ZINC000564369786 531131341 /nfs/dbraw/zinc/13/13/41/531131341.db2.gz KSDOZDUDCGNFGR-SSDOTTSWSA-N -2 3 391.500 0.959 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)N=c2nc([C@H](C)OC)[n-]s2)s1 ZINC000564369795 531131454 /nfs/dbraw/zinc/13/14/54/531131454.db2.gz KSDOZDUDCGNFGR-ZETCQYMHSA-N -2 3 391.500 0.959 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CN(C)CCO1 ZINC000676237358 531136585 /nfs/dbraw/zinc/13/65/85/531136585.db2.gz JGDJYHSKYACNQQ-ZWNOBZJWSA-N -2 3 395.478 0.195 20 0 GCADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])cn1 ZINC000629312873 531163607 /nfs/dbraw/zinc/16/36/07/531163607.db2.gz MUCRYYVXYQVPGG-NWDGAFQWSA-N -2 3 376.456 0.797 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(OC)n[nH]2)c(OC)c1 ZINC000629314701 531164645 /nfs/dbraw/zinc/16/46/45/531164645.db2.gz LRORIBQUCQDWOX-UHFFFAOYSA-N -2 3 390.443 0.989 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CCC(=O)[O-])cc1F ZINC000681585338 531167414 /nfs/dbraw/zinc/16/74/14/531167414.db2.gz RERMUNWJRUMEGX-UHFFFAOYSA-N -2 3 398.434 0.045 20 0 GCADHL COCCc1nc(=NCC[N-]S(=O)(=O)c2ccc(F)cc2F)s[n-]1 ZINC000440661636 531175353 /nfs/dbraw/zinc/17/53/53/531175353.db2.gz CVIULYGOOCZBAV-UHFFFAOYSA-N -2 3 378.426 0.818 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)s1 ZINC000564926462 531177816 /nfs/dbraw/zinc/17/78/16/531177816.db2.gz JEJMOABCJWHHKK-AOOOYVTPSA-N -2 3 396.512 0.371 20 0 GCADHL CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000443190384 531198304 /nfs/dbraw/zinc/19/83/04/531198304.db2.gz BJMCYEGFHGUKJI-UHFFFAOYSA-N -2 3 384.809 0.448 20 0 GCADHL CN(C)c1noc(C[N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000443190384 531198306 /nfs/dbraw/zinc/19/83/06/531198306.db2.gz BJMCYEGFHGUKJI-UHFFFAOYSA-N -2 3 384.809 0.448 20 0 GCADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735691885 598855323 /nfs/dbraw/zinc/85/53/23/598855323.db2.gz QMJMIHBSVVTPQM-AWEZNQCLSA-N -2 3 392.441 0.319 20 0 GCADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735691885 598855324 /nfs/dbraw/zinc/85/53/24/598855324.db2.gz QMJMIHBSVVTPQM-AWEZNQCLSA-N -2 3 392.441 0.319 20 0 GCADHL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305777 598855595 /nfs/dbraw/zinc/85/55/95/598855595.db2.gz WDZZIXKMNZKFKN-ZDUSSCGKSA-N -2 3 392.441 0.463 20 0 GCADHL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305777 598855596 /nfs/dbraw/zinc/85/55/96/598855596.db2.gz WDZZIXKMNZKFKN-ZDUSSCGKSA-N -2 3 392.441 0.463 20 0 GCADHL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736301255 598855925 /nfs/dbraw/zinc/85/59/25/598855925.db2.gz ACYVRUNCHNESNP-CYBMUJFWSA-N -2 3 392.441 0.463 20 0 GCADHL CCC(=O)N1CCCC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736301255 598855927 /nfs/dbraw/zinc/85/59/27/598855927.db2.gz ACYVRUNCHNESNP-CYBMUJFWSA-N -2 3 392.441 0.463 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737860907 598856180 /nfs/dbraw/zinc/85/61/80/598856180.db2.gz NYFWMVULPOLSMH-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737860907 598856181 /nfs/dbraw/zinc/85/61/81/598856181.db2.gz NYFWMVULPOLSMH-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1COc2ccccc21 ZINC000738140400 598856223 /nfs/dbraw/zinc/85/62/23/598856223.db2.gz UMAJBZNQXDIYFR-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1COc2ccccc21 ZINC000738140400 598856224 /nfs/dbraw/zinc/85/62/24/598856224.db2.gz UMAJBZNQXDIYFR-CQSZACIVSA-N -2 3 385.405 0.989 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000736970722 598858709 /nfs/dbraw/zinc/85/87/09/598858709.db2.gz QZJNMETXNPHNNR-SNVBAGLBSA-N -2 3 385.471 0.581 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000736970722 598858710 /nfs/dbraw/zinc/85/87/10/598858710.db2.gz QZJNMETXNPHNNR-SNVBAGLBSA-N -2 3 385.471 0.581 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1-n1cnnn1 ZINC000737225849 598949518 /nfs/dbraw/zinc/94/95/18/598949518.db2.gz UZNNMKFVDKPQFW-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000737226137 598950478 /nfs/dbraw/zinc/95/04/78/598950478.db2.gz QRAVRUPLTYDNDR-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(-c2ncccn2)c1 ZINC000737226137 598950479 /nfs/dbraw/zinc/95/04/79/598950479.db2.gz QRAVRUPLTYDNDR-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000737298445 598975426 /nfs/dbraw/zinc/97/54/26/598975426.db2.gz KHDYBDITUIUUDO-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(C(N)=O)cs1 ZINC000737298445 598975428 /nfs/dbraw/zinc/97/54/28/598975428.db2.gz KHDYBDITUIUUDO-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736937585 598975621 /nfs/dbraw/zinc/97/56/21/598975621.db2.gz MRYUWOMINWHLKL-UHFFFAOYSA-N -2 3 382.402 0.116 20 0 GCADHL COC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736937585 598975622 /nfs/dbraw/zinc/97/56/22/598975622.db2.gz MRYUWOMINWHLKL-UHFFFAOYSA-N -2 3 382.402 0.116 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000737298874 598976421 /nfs/dbraw/zinc/97/64/21/598976421.db2.gz MHPLTLSWPHYXMT-WCQYABFASA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)OC[C@H]1CCCO1 ZINC000737298874 598976422 /nfs/dbraw/zinc/97/64/22/598976422.db2.gz MHPLTLSWPHYXMT-WCQYABFASA-N -2 3 395.441 0.564 20 0 GCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737298851 598978396 /nfs/dbraw/zinc/97/83/96/598978396.db2.gz MAZDLEKBNPLHJW-UHFFFAOYSA-N -2 3 376.398 0.828 20 0 GCADHL Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737298851 598978397 /nfs/dbraw/zinc/97/83/97/598978397.db2.gz MAZDLEKBNPLHJW-UHFFFAOYSA-N -2 3 376.398 0.828 20 0 GCADHL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000735818618 599024936 /nfs/dbraw/zinc/02/49/36/599024936.db2.gz ORAZATDDQDJIFS-UHFFFAOYSA-N -2 3 390.429 0.623 20 0 GCADHL CC(C)CCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000735818618 599024937 /nfs/dbraw/zinc/02/49/37/599024937.db2.gz ORAZATDDQDJIFS-UHFFFAOYSA-N -2 3 390.429 0.623 20 0 GCADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737065901 599135127 /nfs/dbraw/zinc/13/51/27/599135127.db2.gz JEOUPZVGCDDNSC-UHFFFAOYSA-N -2 3 382.336 0.384 20 0 GCADHL Cc1[nH]nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737203558 599154298 /nfs/dbraw/zinc/15/42/98/599154298.db2.gz VHJGJDYJAVFDKM-UHFFFAOYSA-N -2 3 381.805 0.979 20 0 GCADHL Cc1[nH]nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737203558 599154301 /nfs/dbraw/zinc/15/43/01/599154301.db2.gz VHJGJDYJAVFDKM-UHFFFAOYSA-N -2 3 381.805 0.979 20 0 GCADHL O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccccc1 ZINC000737894554 598306051 /nfs/dbraw/zinc/30/60/51/598306051.db2.gz GNWBHOYGQQHZAA-UHFFFAOYSA-N -2 3 388.409 0.393 20 0 GCADHL O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccccc1 ZINC000737894554 598306052 /nfs/dbraw/zinc/30/60/52/598306052.db2.gz GNWBHOYGQQHZAA-UHFFFAOYSA-N -2 3 388.409 0.393 20 0 GCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737800138 598307191 /nfs/dbraw/zinc/30/71/91/598307191.db2.gz KKVPHKOGSZIHQB-XEHSLEBBSA-N -2 3 377.426 0.895 20 0 GCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000737800138 598307192 /nfs/dbraw/zinc/30/71/92/598307192.db2.gz KKVPHKOGSZIHQB-XEHSLEBBSA-N -2 3 377.426 0.895 20 0 GCADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000738101581 598309563 /nfs/dbraw/zinc/30/95/63/598309563.db2.gz IYIHFGWFSRKXOT-UHFFFAOYSA-N -2 3 382.315 0.685 20 0 GCADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000738101581 598309565 /nfs/dbraw/zinc/30/95/65/598309565.db2.gz IYIHFGWFSRKXOT-UHFFFAOYSA-N -2 3 382.315 0.685 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736931787 598331501 /nfs/dbraw/zinc/33/15/01/598331501.db2.gz AKZIMWPIVRPMRK-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736931787 598331502 /nfs/dbraw/zinc/33/15/02/598331502.db2.gz AKZIMWPIVRPMRK-UHFFFAOYSA-N -2 3 396.429 0.291 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736932151 598331631 /nfs/dbraw/zinc/33/16/31/598331631.db2.gz HLIMYXFIZHONFD-UHFFFAOYSA-N -2 3 382.402 0.150 20 0 GCADHL COC(=O)N(C)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736932151 598331633 /nfs/dbraw/zinc/33/16/33/598331633.db2.gz HLIMYXFIZHONFD-UHFFFAOYSA-N -2 3 382.402 0.150 20 0 GCADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736605442 598333053 /nfs/dbraw/zinc/33/30/53/598333053.db2.gz KRWZBRDUPNXXKA-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736605442 598333055 /nfs/dbraw/zinc/33/30/55/598333055.db2.gz KRWZBRDUPNXXKA-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1C ZINC000736728584 598412684 /nfs/dbraw/zinc/41/26/84/598412684.db2.gz MOHKGUCMIDVZMO-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1C ZINC000736728584 598412685 /nfs/dbraw/zinc/41/26/85/598412685.db2.gz MOHKGUCMIDVZMO-UHFFFAOYSA-N -2 3 389.441 0.960 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737985350 598433916 /nfs/dbraw/zinc/43/39/16/598433916.db2.gz MPKXCXXNEZSCMX-UHFFFAOYSA-N -2 3 383.393 0.722 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737985350 598433918 /nfs/dbraw/zinc/43/39/18/598433918.db2.gz MPKXCXXNEZSCMX-UHFFFAOYSA-N -2 3 383.393 0.722 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000737624722 598482467 /nfs/dbraw/zinc/48/24/67/598482467.db2.gz ZYFZJOURYGTWDR-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000737624722 598482469 /nfs/dbraw/zinc/48/24/69/598482469.db2.gz ZYFZJOURYGTWDR-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)c2n1 ZINC000737436005 598536480 /nfs/dbraw/zinc/53/64/80/598536480.db2.gz JEODZROSPIPRKH-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL Cc1ccn2ncc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000737436005 598536482 /nfs/dbraw/zinc/53/64/82/598536482.db2.gz JEODZROSPIPRKH-UHFFFAOYSA-N -2 3 398.408 0.478 20 0 GCADHL O=C([N-]N1CC(=O)NC1=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000738307542 598556858 /nfs/dbraw/zinc/55/68/58/598556858.db2.gz SXWBSOACFNKHNU-UHFFFAOYSA-N -2 3 383.324 0.235 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)s1 ZINC000737761502 598565436 /nfs/dbraw/zinc/56/54/36/598565436.db2.gz ZGQXUABLRXFZEJ-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)s1 ZINC000737761502 598565437 /nfs/dbraw/zinc/56/54/37/598565437.db2.gz ZGQXUABLRXFZEJ-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736665351 598637094 /nfs/dbraw/zinc/63/70/94/598637094.db2.gz UCJJDEYPFCSJFR-UHFFFAOYSA-N -2 3 394.438 0.856 20 0 GCADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736665351 598637096 /nfs/dbraw/zinc/63/70/96/598637096.db2.gz UCJJDEYPFCSJFR-UHFFFAOYSA-N -2 3 394.438 0.856 20 0 GCADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000737368499 598637722 /nfs/dbraw/zinc/63/77/22/598637722.db2.gz LMELQRFLIAMZRY-UHFFFAOYSA-N -2 3 394.438 0.774 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000737983489 598647251 /nfs/dbraw/zinc/64/72/51/598647251.db2.gz WMPJQJRGBHNKBF-UHFFFAOYSA-N -2 3 397.424 0.830 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000737983489 598647253 /nfs/dbraw/zinc/64/72/53/598647253.db2.gz WMPJQJRGBHNKBF-UHFFFAOYSA-N -2 3 397.424 0.830 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000737981152 598647591 /nfs/dbraw/zinc/64/75/91/598647591.db2.gz IWNFVMCGXCIHJQ-UHFFFAOYSA-N -2 3 383.397 0.440 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000737981152 598647593 /nfs/dbraw/zinc/64/75/93/598647593.db2.gz IWNFVMCGXCIHJQ-UHFFFAOYSA-N -2 3 383.397 0.440 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736939598 598675523 /nfs/dbraw/zinc/67/55/23/598675523.db2.gz IPKPJIHQDWOQGT-UHFFFAOYSA-N -2 3 381.349 0.625 20 0 GCADHL COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000736939598 598675524 /nfs/dbraw/zinc/67/55/24/598675524.db2.gz IPKPJIHQDWOQGT-UHFFFAOYSA-N -2 3 381.349 0.625 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000737013795 598740087 /nfs/dbraw/zinc/74/00/87/598740087.db2.gz JTNOXWXPECZVDH-UHFFFAOYSA-N -2 3 399.429 0.127 20 0 GCADHL COCCS(=O)(=O)[N-]C(=O)CCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000737013795 598740088 /nfs/dbraw/zinc/74/00/88/598740088.db2.gz JTNOXWXPECZVDH-UHFFFAOYSA-N -2 3 399.429 0.127 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C)nn1C ZINC000737023796 598785851 /nfs/dbraw/zinc/78/58/51/598785851.db2.gz NNZGFCHDGRPYDQ-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000737023796 598785852 /nfs/dbraw/zinc/78/58/52/598785852.db2.gz NNZGFCHDGRPYDQ-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c(C)nn1C ZINC000737022808 598785863 /nfs/dbraw/zinc/78/58/63/598785863.db2.gz BWMHQDPYJHJDKL-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c(C)nn1C ZINC000737022808 598785864 /nfs/dbraw/zinc/78/58/64/598785864.db2.gz BWMHQDPYJHJDKL-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC000738139790 598786452 /nfs/dbraw/zinc/78/64/52/598786452.db2.gz PXIOZVDRKWVALX-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC000738139790 598786453 /nfs/dbraw/zinc/78/64/53/598786453.db2.gz PXIOZVDRKWVALX-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000821663642 599301632 /nfs/dbraw/zinc/30/16/32/599301632.db2.gz HUCXZUNYESVBOR-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735884041 599358318 /nfs/dbraw/zinc/35/83/18/599358318.db2.gz GKYUZYFKMOJXND-UHFFFAOYSA-N -2 3 380.430 0.367 20 0 GCADHL CC(C)NC(=O)CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735884041 599358320 /nfs/dbraw/zinc/35/83/20/599358320.db2.gz GKYUZYFKMOJXND-UHFFFAOYSA-N -2 3 380.430 0.367 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)n1 ZINC000738138048 599517647 /nfs/dbraw/zinc/51/76/47/599517647.db2.gz CPAWFMUTYPEERQ-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)n1 ZINC000738138048 599517649 /nfs/dbraw/zinc/51/76/49/599517649.db2.gz CPAWFMUTYPEERQ-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821114423 599619794 /nfs/dbraw/zinc/61/97/94/599619794.db2.gz RJADSCBJSLULFH-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821114423 599619795 /nfs/dbraw/zinc/61/97/95/599619795.db2.gz RJADSCBJSLULFH-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821286692 599619962 /nfs/dbraw/zinc/61/99/62/599619962.db2.gz WHRFJTCKYRETIF-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL CCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821286692 599619963 /nfs/dbraw/zinc/61/99/63/599619963.db2.gz WHRFJTCKYRETIF-UHFFFAOYSA-N -2 3 380.430 0.119 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821113633 599621520 /nfs/dbraw/zinc/62/15/20/599621520.db2.gz AMANXIMNTRGBIQ-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821113633 599621521 /nfs/dbraw/zinc/62/15/21/599621521.db2.gz AMANXIMNTRGBIQ-UHFFFAOYSA-N -2 3 394.457 0.509 20 0 GCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000823078605 599627220 /nfs/dbraw/zinc/62/72/20/599627220.db2.gz OUZUAZMFHNCQGW-UHFFFAOYSA-N -2 3 387.421 0.934 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000823078605 599627221 /nfs/dbraw/zinc/62/72/21/599627221.db2.gz OUZUAZMFHNCQGW-UHFFFAOYSA-N -2 3 387.421 0.934 20 0 GCADHL COC(=O)CN(CC(=O)[O-])Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000737617599 599756695 /nfs/dbraw/zinc/75/66/95/599756695.db2.gz HMGUUZICSGQOSK-UHFFFAOYSA-N -2 3 383.382 0.139 20 0 GCADHL COCCN1CC[C@H](NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000737808860 599762253 /nfs/dbraw/zinc/76/22/53/599762253.db2.gz FPVOCAUEQQRTIE-AWEZNQCLSA-N -2 3 388.424 0.243 20 0 GCADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]N=c1nc(C)cc(C)[nH]1 ZINC000737718339 599812560 /nfs/dbraw/zinc/81/25/60/599812560.db2.gz QRAJQNCRQCRRKC-UHFFFAOYSA-N -2 3 386.411 0.945 20 0 GCADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCO1 ZINC000485834824 599941739 /nfs/dbraw/zinc/94/17/39/599941739.db2.gz OJHWLELUZFKZNA-AWEZNQCLSA-N -2 3 397.384 0.880 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000826358174 607413647 /nfs/dbraw/zinc/41/36/47/607413647.db2.gz JANGJNAZQSWUDN-UHFFFAOYSA-N -2 3 382.352 0.743 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000826358174 607413648 /nfs/dbraw/zinc/41/36/48/607413648.db2.gz JANGJNAZQSWUDN-UHFFFAOYSA-N -2 3 382.352 0.743 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)ccc1F ZINC000736262908 600182727 /nfs/dbraw/zinc/18/27/27/600182727.db2.gz QEVRFHMEFMSVFV-UHFFFAOYSA-N -2 3 399.404 0.900 20 0 GCADHL Cn1cnnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000739056586 600633143 /nfs/dbraw/zinc/63/31/43/600633143.db2.gz FFFCJXLCENMVCH-UHFFFAOYSA-N -2 3 393.194 0.893 20 0 GCADHL CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737536476 600633728 /nfs/dbraw/zinc/63/37/28/600633728.db2.gz YKCKCOVOQZCJSD-YFKPBYRVSA-N -2 3 383.195 0.699 20 0 GCADHL O=C([O-])[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccccn1 ZINC000833119755 600909568 /nfs/dbraw/zinc/90/95/68/600909568.db2.gz KIUDYLZNULUUEB-JTQLQIEISA-N -2 3 383.158 0.049 20 0 GCADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)CC1 ZINC000829781313 600980905 /nfs/dbraw/zinc/98/09/05/600980905.db2.gz UDHARJUNMHJWLS-UHFFFAOYSA-N -2 3 393.469 0.910 20 0 GCADHL Cc1oc(S(=O)(=O)[N-]C2CCN(CCS(C)(=O)=O)CC2)cc1C(=O)[O-] ZINC000833027164 601221572 /nfs/dbraw/zinc/22/15/72/601221572.db2.gz DMTZEWHZUORHRO-UHFFFAOYSA-N -2 3 394.471 0.074 20 0 GCADHL O=C([O-])Cc1csc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000833269931 601254967 /nfs/dbraw/zinc/25/49/67/601254967.db2.gz SSJBLESNAMIBDH-UHFFFAOYSA-N -2 3 389.187 0.434 20 0 GCADHL CC(C)S(=O)(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](C)C1 ZINC000828472915 601265750 /nfs/dbraw/zinc/26/57/50/601265750.db2.gz SZPDHFHIVROMLD-GHMZBOCLSA-N -2 3 394.471 0.705 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c1 ZINC000831390537 601270423 /nfs/dbraw/zinc/27/04/23/601270423.db2.gz PECOZPRFDKXRQR-UHFFFAOYSA-N -2 3 375.374 0.915 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000831033785 601358192 /nfs/dbraw/zinc/35/81/92/601358192.db2.gz FFCQKPSIXIQILM-UHFFFAOYSA-N -2 3 396.377 0.990 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000575920166 601405776 /nfs/dbraw/zinc/40/57/76/601405776.db2.gz NEVFDNASBZUQGF-LLVKDONJSA-N -2 3 391.409 0.981 20 0 GCADHL CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC000826956229 601519801 /nfs/dbraw/zinc/51/98/01/601519801.db2.gz IPERJIMAQNZIOU-MRVPVSSYSA-N -2 3 376.337 0.477 20 0 GCADHL CC(C)C[C@@H](NC(=O)CN1CCN(C(=O)c2ccc([O-])cc2)CC1)C(=O)[O-] ZINC000826787745 601592757 /nfs/dbraw/zinc/59/27/57/601592757.db2.gz UEWSUDKSIMSVNZ-MRXNPFEDSA-N -2 3 377.441 0.766 20 0 GCADHL O=C([O-])[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000486041229 601720708 /nfs/dbraw/zinc/72/07/08/601720708.db2.gz QLBBLERTTHBDLW-AWEZNQCLSA-N -2 3 397.384 0.880 20 0 GCADHL O=C([O-])C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCO1 ZINC000833218154 601741770 /nfs/dbraw/zinc/74/17/70/601741770.db2.gz SWVWQCQZAIFPTP-GFCCVEGCSA-N -2 3 386.401 0.582 20 0 GCADHL COC(=O)c1ccsc1N1CC[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])C1=O ZINC000831462246 601798002 /nfs/dbraw/zinc/79/80/02/601798002.db2.gz WJHFNKWBFCLHLC-WPRPVWTQSA-N -2 3 390.439 0.280 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1-c1nnn[n-]1 ZINC000826304014 607533279 /nfs/dbraw/zinc/53/32/79/607533279.db2.gz RDKYKHUAUDVNSJ-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1-c1nn[n-]n1 ZINC000826304014 607533280 /nfs/dbraw/zinc/53/32/80/607533280.db2.gz RDKYKHUAUDVNSJ-UHFFFAOYSA-N -2 3 394.438 0.623 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c1-c1nnn[n-]1 ZINC000826303946 607536560 /nfs/dbraw/zinc/53/65/60/607536560.db2.gz NUQQIAQZOLYMTL-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CC(=O)N(C)C)n2)c1-c1nn[n-]n1 ZINC000826303946 607536561 /nfs/dbraw/zinc/53/65/61/607536561.db2.gz NUQQIAQZOLYMTL-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1C(N)=O ZINC000826222221 607538047 /nfs/dbraw/zinc/53/80/47/607538047.db2.gz OJTHSVOYTUZARL-UHFFFAOYSA-N -2 3 389.397 0.478 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C(N)=O ZINC000826222221 607538049 /nfs/dbraw/zinc/53/80/49/607538049.db2.gz OJTHSVOYTUZARL-UHFFFAOYSA-N -2 3 389.397 0.478 20 0 GCADHL C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000769513943 602112717 /nfs/dbraw/zinc/11/27/17/602112717.db2.gz MHMXXJDWIZUOKB-VHSXEESVSA-N -2 3 375.834 0.868 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)c(Br)o1 ZINC000405363411 602154910 /nfs/dbraw/zinc/15/49/10/602154910.db2.gz GYDVQXWEEXDFJR-UHFFFAOYSA-N -2 3 395.187 0.168 20 0 GCADHL CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000387262580 602154962 /nfs/dbraw/zinc/15/49/62/602154962.db2.gz UUZXJWRQYWVRKA-MRVPVSSYSA-N -2 3 396.263 0.264 20 0 GCADHL NC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCC1 ZINC000761298083 602156448 /nfs/dbraw/zinc/15/64/48/602156448.db2.gz XDFGVKDCTHRKKT-UHFFFAOYSA-N -2 3 381.204 0.817 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CC1 ZINC000831077793 602161161 /nfs/dbraw/zinc/16/11/61/602161161.db2.gz BULCTYLEGMLYIR-MRVPVSSYSA-N -2 3 382.188 0.970 20 0 GCADHL CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829162688 602212774 /nfs/dbraw/zinc/21/27/74/602212774.db2.gz SQMQGTPOCBMIBQ-NXEZZACHSA-N -2 3 380.444 0.316 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1OCCc2ccccc21 ZINC000826450646 607560092 /nfs/dbraw/zinc/56/00/92/607560092.db2.gz WUSLJVDANSUQAE-HNNXBMFYSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1OCCc2ccccc21 ZINC000826450646 607560093 /nfs/dbraw/zinc/56/00/93/607560093.db2.gz WUSLJVDANSUQAE-HNNXBMFYSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1OCCc2ccccc21 ZINC000826450647 607560122 /nfs/dbraw/zinc/56/01/22/607560122.db2.gz WUSLJVDANSUQAE-OAHLLOKOSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1OCCc2ccccc21 ZINC000826450647 607560124 /nfs/dbraw/zinc/56/01/24/607560124.db2.gz WUSLJVDANSUQAE-OAHLLOKOSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([O-])c1ccc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)cc1F ZINC000833139568 602403375 /nfs/dbraw/zinc/40/33/75/602403375.db2.gz CWJIQIXWEHNUGT-UHFFFAOYSA-N -2 3 389.339 0.714 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cnn2c1CCCC2 ZINC000826449891 607564865 /nfs/dbraw/zinc/56/48/65/607564865.db2.gz NRWNJTCKLRBTPY-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cnn2c1CCCC2 ZINC000826449891 607564867 /nfs/dbraw/zinc/56/48/67/607564867.db2.gz NRWNJTCKLRBTPY-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL O=S(=O)([N-]C[C@H](O)C1CCOCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489179 607640251 /nfs/dbraw/zinc/64/02/51/607640251.db2.gz JLNDDXBDVMNPJY-LBPRGKRZSA-N -2 3 389.384 0.211 20 0 GCADHL O=S(=O)([N-]C[C@@]1(O)CCSC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490514 607661078 /nfs/dbraw/zinc/66/10/78/607661078.db2.gz XVTLVKFEXALPBK-LBPRGKRZSA-N -2 3 377.398 0.291 20 0 GCADHL COCCn1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cn1 ZINC000826163686 607663170 /nfs/dbraw/zinc/66/31/70/607663170.db2.gz GMXYNECZKRFFNE-UHFFFAOYSA-N -2 3 392.445 0.576 20 0 GCADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000826186588 607683239 /nfs/dbraw/zinc/68/32/39/607683239.db2.gz ASZPECASHWBGKJ-LLVKDONJSA-N -2 3 391.413 0.834 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])ccc1F ZINC000831029175 604445138 /nfs/dbraw/zinc/44/51/38/604445138.db2.gz JKWJRCHZHPWBPP-GFCCVEGCSA-N -2 3 376.406 0.684 20 0 GCADHL O=C([O-])c1csc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000833140507 604505832 /nfs/dbraw/zinc/50/58/32/604505832.db2.gz NHXFJGSCGBZGME-UHFFFAOYSA-N -2 3 377.378 0.637 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCN(C(=O)[O-])C2)cc1F ZINC000832703789 604811330 /nfs/dbraw/zinc/81/13/30/604811330.db2.gz BELFNDGGRAGLJG-SECBINFHSA-N -2 3 395.434 0.618 20 0 GCADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])N2CCOCC2)o1 ZINC000833749307 605015882 /nfs/dbraw/zinc/01/58/82/605015882.db2.gz PWRNSKJEZFRINU-GFCCVEGCSA-N -2 3 398.441 0.670 20 0 GCADHL CCc1nc([C@@H](C)NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)n[nH]1 ZINC000833674045 605024150 /nfs/dbraw/zinc/02/41/50/605024150.db2.gz NZJVUNPZQHANCP-SNVBAGLBSA-N -2 3 384.396 0.964 20 0 GCADHL CCc1cc(N2CCC([N-]S(=O)(=O)c3n[nH]c(C)c3C(=O)[O-])CC2)ncn1 ZINC000833672000 605043659 /nfs/dbraw/zinc/04/36/59/605043659.db2.gz VBHPQCTZBVEEQI-UHFFFAOYSA-N -2 3 394.457 0.716 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCOCC1 ZINC000833715853 605045237 /nfs/dbraw/zinc/04/52/37/605045237.db2.gz GZPRLXKNXNOWCN-UHFFFAOYSA-N -2 3 375.374 0.915 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000833472147 605078689 /nfs/dbraw/zinc/07/86/89/605078689.db2.gz VZNLACLGGJBLQX-SECBINFHSA-N -2 3 381.374 0.557 20 0 GCADHL CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833648734 605177313 /nfs/dbraw/zinc/17/73/13/605177313.db2.gz KXYWTXXZSYRXML-NEPJUHHUSA-N -2 3 386.474 0.978 20 0 GCADHL Cn1ccnc1CN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1=O ZINC000833761169 605269296 /nfs/dbraw/zinc/26/92/96/605269296.db2.gz YVOYTBMPHOPMKT-NSHDSACASA-N -2 3 382.398 0.181 20 0 GCADHL C[C@]1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCC[C@H]1C(=O)[O-] ZINC000833570295 605274261 /nfs/dbraw/zinc/27/42/61/605274261.db2.gz WCTWYPQHXFNBLJ-RTHLEPHNSA-N -2 3 388.218 0.861 20 0 GCADHL C[C@]1(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCCC[C@@H]1C(=O)[O-] ZINC000833570293 605274307 /nfs/dbraw/zinc/27/43/07/605274307.db2.gz WCTWYPQHXFNBLJ-CLAHSXSESA-N -2 3 388.218 0.861 20 0 GCADHL Cn1c2ccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)cc2oc1=O ZINC000822596701 606210549 /nfs/dbraw/zinc/21/05/49/606210549.db2.gz QBJCQJDZCUACCT-UHFFFAOYSA-N -2 3 388.365 0.818 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000821667988 606392487 /nfs/dbraw/zinc/39/24/87/606392487.db2.gz JYYKSXGERUTSEP-UHFFFAOYSA-N -2 3 396.410 0.919 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000821667988 606392489 /nfs/dbraw/zinc/39/24/89/606392489.db2.gz JYYKSXGERUTSEP-UHFFFAOYSA-N -2 3 396.410 0.919 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000822645563 606407856 /nfs/dbraw/zinc/40/78/56/606407856.db2.gz DQHHNCJLEMFHIH-UHFFFAOYSA-N -2 3 387.425 0.238 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)N1CCc2ccccc2C1 ZINC000822645563 606407858 /nfs/dbraw/zinc/40/78/58/606407858.db2.gz DQHHNCJLEMFHIH-UHFFFAOYSA-N -2 3 387.425 0.238 20 0 GCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1C ZINC000821668139 606591189 /nfs/dbraw/zinc/59/11/89/606591189.db2.gz QXRPDGRJOPVMFI-UHFFFAOYSA-N -2 3 380.361 0.932 20 0 GCADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1C ZINC000821668139 606591190 /nfs/dbraw/zinc/59/11/90/606591190.db2.gz QXRPDGRJOPVMFI-UHFFFAOYSA-N -2 3 380.361 0.932 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822969729 606612937 /nfs/dbraw/zinc/61/29/37/606612937.db2.gz YXWGIOKGCGYCFH-UHFFFAOYSA-N -2 3 381.414 0.257 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822969729 606612939 /nfs/dbraw/zinc/61/29/39/606612939.db2.gz YXWGIOKGCGYCFH-UHFFFAOYSA-N -2 3 381.414 0.257 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000819811018 606708893 /nfs/dbraw/zinc/70/88/93/606708893.db2.gz URGSFOJXSRXQKW-UHFFFAOYSA-N -2 3 390.429 0.080 20 0 GCADHL COc1ccc(OCCCS(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821842920 606709209 /nfs/dbraw/zinc/70/92/09/606709209.db2.gz WKYMNBWOXXJZEG-UHFFFAOYSA-N -2 3 393.429 0.820 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000822623228 606709865 /nfs/dbraw/zinc/70/98/65/606709865.db2.gz SGWDFXRLWUSMBF-UHFFFAOYSA-N -3 3 383.777 0.753 20 0 GCADHL COCCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821693722 606710726 /nfs/dbraw/zinc/71/07/26/606710726.db2.gz LCPLEOAANLPUDE-UHFFFAOYSA-N -2 3 379.402 0.426 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)n1 ZINC000822622961 606711089 /nfs/dbraw/zinc/71/10/89/606711089.db2.gz MBOTZUGZVCRVQE-UHFFFAOYSA-N -2 3 394.804 0.549 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1C(N)=O ZINC000821919842 606788669 /nfs/dbraw/zinc/78/86/69/606788669.db2.gz GVJDHGHMZRPVGP-UHFFFAOYSA-N -2 3 375.370 0.170 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1C(N)=O ZINC000821919842 606788671 /nfs/dbraw/zinc/78/86/71/606788671.db2.gz GVJDHGHMZRPVGP-UHFFFAOYSA-N -2 3 375.370 0.170 20 0 GCADHL COc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000821712352 606866063 /nfs/dbraw/zinc/86/60/63/606866063.db2.gz GDKPJTMGNWZYFH-UHFFFAOYSA-N -2 3 398.355 0.557 20 0 GCADHL C[C@@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCS(=O)(=O)C1 ZINC000820623134 606882498 /nfs/dbraw/zinc/88/24/98/606882498.db2.gz GCURQYQQWBZISY-GFCCVEGCSA-N -2 3 393.397 0.000 20 0 GCADHL COC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCC1 ZINC000821653792 606885009 /nfs/dbraw/zinc/88/50/09/606885009.db2.gz KZGHLJOABWIKMI-UHFFFAOYSA-N -2 3 387.368 0.909 20 0 GCADHL CC(C)N1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820126533 606887801 /nfs/dbraw/zinc/88/78/01/606887801.db2.gz ABEJQYKJGHPIFY-SECBINFHSA-N -2 3 386.384 0.433 20 0 GCADHL O=C1OCCN1CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823551297 606890706 /nfs/dbraw/zinc/89/07/06/606890706.db2.gz LUFSQYWCKAKUAX-UHFFFAOYSA-N -2 3 388.356 0.266 20 0 GCADHL O=S(=O)([N-]CCN1CCSCC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823579028 606890905 /nfs/dbraw/zinc/89/09/05/606890905.db2.gz YRLVCDUZIHYUOT-UHFFFAOYSA-N -2 3 390.441 0.472 20 0 GCADHL CCN1CCO[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821276415 606892284 /nfs/dbraw/zinc/89/22/84/606892284.db2.gz LFXVKJVHHBBYBL-SNVBAGLBSA-N -2 3 388.400 0.144 20 0 GCADHL O=S(=O)([N-]CCOC[C@@H]1CCCO1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578209 606892963 /nfs/dbraw/zinc/89/29/63/606892963.db2.gz JYNNKEGKEHXOGS-JTQLQIEISA-N -2 3 389.384 0.619 20 0 GCADHL NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822858487 606894486 /nfs/dbraw/zinc/89/44/86/606894486.db2.gz AXNXGCLYPGJJRB-LDYMZIIASA-N -2 3 386.384 0.467 20 0 GCADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C1CC1 ZINC000821659092 606895802 /nfs/dbraw/zinc/89/58/02/606895802.db2.gz QZBVNVVPXRQWQK-LLVKDONJSA-N -2 3 387.368 0.765 20 0 GCADHL COC[C@@](C)([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)OC ZINC000821680293 606896367 /nfs/dbraw/zinc/89/63/67/606896367.db2.gz FODLSTPFFPHBQR-CYBMUJFWSA-N -2 3 391.356 0.001 20 0 GCADHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822369285 606936512 /nfs/dbraw/zinc/93/65/12/606936512.db2.gz FMMDAWKHWAAKCM-UHFFFAOYSA-N -2 3 382.352 0.953 20 0 GCADHL C[C@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[S@](C)=O ZINC000820240761 607005921 /nfs/dbraw/zinc/00/59/21/607005921.db2.gz DDRMNIRMUSYYIR-WBOGJMANSA-N -2 3 379.414 0.580 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1OC ZINC000821667904 607025921 /nfs/dbraw/zinc/02/59/21/607025921.db2.gz GCZNYLXGPOZHAZ-UHFFFAOYSA-N -2 3 396.410 0.919 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C(N)=O ZINC000821845401 607026575 /nfs/dbraw/zinc/02/65/75/607026575.db2.gz FPWLIVLSEGMLNB-UHFFFAOYSA-N -2 3 381.399 0.232 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OCC(F)(F)F ZINC000820450302 607099643 /nfs/dbraw/zinc/09/96/43/607099643.db2.gz JJWCUUZWLGBZIW-SSDOTTSWSA-N -2 3 394.335 0.144 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OCC(F)(F)F ZINC000820450302 607099644 /nfs/dbraw/zinc/09/96/44/607099644.db2.gz JJWCUUZWLGBZIW-SSDOTTSWSA-N -2 3 394.335 0.144 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000820541106 607105726 /nfs/dbraw/zinc/10/57/26/607105726.db2.gz BOHYPZKUAIFQMI-NSHDSACASA-N -2 3 375.385 0.774 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000820541106 607105727 /nfs/dbraw/zinc/10/57/27/607105727.db2.gz BOHYPZKUAIFQMI-NSHDSACASA-N -2 3 375.385 0.774 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000821700560 607106984 /nfs/dbraw/zinc/10/69/84/607106984.db2.gz RUMARROIGGQJGC-UHFFFAOYSA-N -2 3 391.384 0.394 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000821700417 607107144 /nfs/dbraw/zinc/10/71/44/607107144.db2.gz NXQCGUZIUIOWQQ-UHFFFAOYSA-N -2 3 391.384 0.346 20 0 GCADHL Cc1nc(SCC(=O)N2CCOC[C@@H]2C(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454047 607108536 /nfs/dbraw/zinc/10/85/36/607108536.db2.gz RVBJPBYXLUAFBE-LLVKDONJSA-N -2 3 392.441 0.591 20 0 GCADHL Cc1nc(SCC(=O)N2CCOC[C@@H]2C(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454047 607108538 /nfs/dbraw/zinc/10/85/38/607108538.db2.gz RVBJPBYXLUAFBE-LLVKDONJSA-N -2 3 392.441 0.591 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n(C)n1 ZINC000821694454 607122205 /nfs/dbraw/zinc/12/22/05/607122205.db2.gz NSDGKYRYZXXKGY-UHFFFAOYSA-N -2 3 377.430 0.898 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n(C)n1 ZINC000821694454 607122207 /nfs/dbraw/zinc/12/22/07/607122207.db2.gz NSDGKYRYZXXKGY-UHFFFAOYSA-N -2 3 377.430 0.898 20 0 GCADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1 ZINC000822224993 607122823 /nfs/dbraw/zinc/12/28/23/607122823.db2.gz IVLKXDVIFCJBRS-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1 ZINC000822224993 607122825 /nfs/dbraw/zinc/12/28/25/607122825.db2.gz IVLKXDVIFCJBRS-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821920049 607223907 /nfs/dbraw/zinc/22/39/07/607223907.db2.gz LGWZZMUGAXWYLO-UHFFFAOYSA-N -2 3 376.402 0.532 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc2[nH]c(=O)oc21 ZINC000826450519 607776867 /nfs/dbraw/zinc/77/68/67/607776867.db2.gz PTARSELAZNEBPJ-UHFFFAOYSA-N -2 3 386.349 0.832 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc2[nH]c(=O)oc21 ZINC000826450519 607776868 /nfs/dbraw/zinc/77/68/68/607776868.db2.gz PTARSELAZNEBPJ-UHFFFAOYSA-N -2 3 386.349 0.832 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc2[nH]c(=O)oc21 ZINC000826450616 607776918 /nfs/dbraw/zinc/77/69/18/607776918.db2.gz UQVPZUZWOJSIBA-UHFFFAOYSA-N -2 3 386.349 0.832 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc2[nH]c(=O)oc21 ZINC000826450616 607776919 /nfs/dbraw/zinc/77/69/19/607776919.db2.gz UQVPZUZWOJSIBA-UHFFFAOYSA-N -2 3 386.349 0.832 20 0 GCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000825850336 607778500 /nfs/dbraw/zinc/77/85/00/607778500.db2.gz PCOLSDOZRIWLEI-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000825850336 607778501 /nfs/dbraw/zinc/77/85/01/607778501.db2.gz PCOLSDOZRIWLEI-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826417576 607925713 /nfs/dbraw/zinc/92/57/13/607925713.db2.gz WKGAXBNYSHXSQY-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cnn1C ZINC000826278972 607992214 /nfs/dbraw/zinc/99/22/14/607992214.db2.gz ATGIZSYTVMGPJO-UHFFFAOYSA-N -2 3 389.441 0.655 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cnn1C ZINC000826278972 607992215 /nfs/dbraw/zinc/99/22/15/607992215.db2.gz ATGIZSYTVMGPJO-UHFFFAOYSA-N -2 3 389.441 0.655 20 0 GCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000824234994 608011157 /nfs/dbraw/zinc/01/11/57/608011157.db2.gz ADUFDQVXLHWXOB-JTQLQIEISA-N -3 3 375.357 0.923 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000824173409 608075884 /nfs/dbraw/zinc/07/58/84/608075884.db2.gz YCZMWKXCQSYRMG-LLVKDONJSA-N -2 3 395.441 0.507 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824744799 608076205 /nfs/dbraw/zinc/07/62/05/608076205.db2.gz GHHKFUBJGINDOQ-MNOVXSKESA-N -2 3 381.414 0.117 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824744799 608076206 /nfs/dbraw/zinc/07/62/06/608076206.db2.gz GHHKFUBJGINDOQ-MNOVXSKESA-N -2 3 381.414 0.117 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825485660 608101819 /nfs/dbraw/zinc/10/18/19/608101819.db2.gz IACMGLNOUITISB-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825485660 608101820 /nfs/dbraw/zinc/10/18/20/608101820.db2.gz IACMGLNOUITISB-UHFFFAOYSA-N -2 3 381.414 0.402 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826359170 608141276 /nfs/dbraw/zinc/14/12/76/608141276.db2.gz YQDSPOYCDDCVEK-UHFFFAOYSA-N -2 3 375.414 0.383 20 0 GCADHL Cn1cc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826359170 608141277 /nfs/dbraw/zinc/14/12/77/608141277.db2.gz YQDSPOYCDDCVEK-UHFFFAOYSA-N -2 3 375.414 0.383 20 0 GCADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1 ZINC000825605258 608306883 /nfs/dbraw/zinc/30/68/83/608306883.db2.gz SMIARZSOGKSFGX-UHFFFAOYSA-N -2 3 379.402 0.806 20 0 GCADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc2c(cc1Cl)OCCO2 ZINC000826492470 608307780 /nfs/dbraw/zinc/30/77/80/608307780.db2.gz MMASTAWQRPDGLS-UHFFFAOYSA-N -2 3 383.777 0.815 20 0 GCADHL O=C(CNc1ccc(-c2nnn[n-]2)cn1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000826414068 608387417 /nfs/dbraw/zinc/38/74/17/608387417.db2.gz CYYNGCBAEZKPSG-UHFFFAOYSA-N -2 3 379.340 0.656 20 0 GCADHL O=C(CNc1ccc(-c2nn[n-]n2)cn1)Nc1cccc(-c2nc(=O)o[n-]2)c1 ZINC000826414068 608387418 /nfs/dbraw/zinc/38/74/18/608387418.db2.gz CYYNGCBAEZKPSG-UHFFFAOYSA-N -2 3 379.340 0.656 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CSCCS1 ZINC000826449971 609139861 /nfs/dbraw/zinc/13/98/61/609139861.db2.gz RHLKIRXJBITSFN-LLVKDONJSA-N -2 3 385.496 0.661 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CSCCS1 ZINC000826449971 609139862 /nfs/dbraw/zinc/13/98/62/609139862.db2.gz RHLKIRXJBITSFN-LLVKDONJSA-N -2 3 385.496 0.661 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825604768 609256345 /nfs/dbraw/zinc/25/63/45/609256345.db2.gz KPYAISFNWYACNF-AWEZNQCLSA-N -2 3 394.457 0.318 20 0 GCADHL O=C([N-]S(=O)(=O)[C@@H]1CCOC1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826449852 609257907 /nfs/dbraw/zinc/25/79/07/609257907.db2.gz MGACYFXWIQSAEP-ZIAGYGMSSA-N -2 3 392.441 0.070 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826443260 609359901 /nfs/dbraw/zinc/35/99/01/609359901.db2.gz IFLZOMYEBLNNJE-UHFFFAOYSA-N -2 3 385.323 0.337 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000826443260 609359903 /nfs/dbraw/zinc/35/99/03/609359903.db2.gz IFLZOMYEBLNNJE-UHFFFAOYSA-N -2 3 385.323 0.337 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826420392 609366578 /nfs/dbraw/zinc/36/65/78/609366578.db2.gz KUIRVOXVFJRRGW-CYBMUJFWSA-N -2 3 397.482 0.725 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826420392 609366581 /nfs/dbraw/zinc/36/65/81/609366581.db2.gz KUIRVOXVFJRRGW-CYBMUJFWSA-N -2 3 397.482 0.725 20 0 GCADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000826162489 609469207 /nfs/dbraw/zinc/46/92/07/609469207.db2.gz DQXXFCRHEQUORB-GFCCVEGCSA-N -2 3 383.430 0.813 20 0 GCADHL CSc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000064477118 638434878 /nfs/dbraw/zinc/43/48/78/638434878.db2.gz LITKJZBBUSHIMN-VIFPVBQESA-N -2 3 379.485 0.088 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C1CCCC1 ZINC000029048608 638728595 /nfs/dbraw/zinc/72/85/95/638728595.db2.gz OPEHKQKLDKLEED-UHFFFAOYSA-N -2 3 387.483 0.627 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(CCCl)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000055575883 639587486 /nfs/dbraw/zinc/58/74/86/639587486.db2.gz TXSDBBLHUWVNIY-LLVKDONJSA-N -2 3 380.875 0.212 20 0 GCADHL Cn1cccc1C(=O)N[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057116565 639592821 /nfs/dbraw/zinc/59/28/21/639592821.db2.gz STEMKSRSZJEGOS-UHFFFAOYSA-N -2 3 390.418 0.159 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000731339337 639762834 /nfs/dbraw/zinc/76/28/34/639762834.db2.gz URCSHOOGSCYNJR-UHFFFAOYSA-N -3 3 385.181 0.171 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-][N-]C(=O)[C@@H]2CCS(=O)(=O)C2)cc1C ZINC000032589084 639810186 /nfs/dbraw/zinc/81/01/86/639810186.db2.gz SFHDFHDKSYDWER-LLVKDONJSA-N -2 3 376.456 0.138 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=S)NCCc2cccs2)o1 ZINC000031595648 640060978 /nfs/dbraw/zinc/06/09/78/640060978.db2.gz VESUTWKGWFUSDN-UHFFFAOYSA-N -2 3 388.496 0.601 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]n2cnc3sc(C)c(C)c3c2=O)co1 ZINC000755430366 640469599 /nfs/dbraw/zinc/46/95/99/640469599.db2.gz QANQEATYKXYESB-UHFFFAOYSA-N -2 3 382.423 0.960 20 0 GCADHL CCc1nc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)co1 ZINC000774213364 640880730 /nfs/dbraw/zinc/88/07/30/640880730.db2.gz XQDDOPRKXRFPGK-UHFFFAOYSA-N -2 3 391.402 0.866 20 0 GCADHL CCOCCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000775236840 641074103 /nfs/dbraw/zinc/07/41/03/641074103.db2.gz YNSLRLJAMSAETO-UHFFFAOYSA-N -2 3 387.277 0.873 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000776438650 641095483 /nfs/dbraw/zinc/09/54/83/641095483.db2.gz WYXJFDCCPXDRBU-QMMMGPOBSA-N -2 3 388.789 0.219 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O ZINC000776438012 641095640 /nfs/dbraw/zinc/09/56/40/641095640.db2.gz QNWZWVDRKSUXBP-SSDLBLMSSA-N -2 3 386.195 0.709 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](CCO)C(=O)[O-] ZINC000776485742 641097491 /nfs/dbraw/zinc/09/74/91/641097491.db2.gz UZLXDXCLEOGOHI-QMMMGPOBSA-N -2 3 386.195 0.711 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000776596262 641105862 /nfs/dbraw/zinc/10/58/62/641105862.db2.gz JARHGIHJSKDVBR-NEPJUHHUSA-N -2 3 386.407 0.395 20 0 GCADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776612245 641107048 /nfs/dbraw/zinc/10/70/48/641107048.db2.gz BUGNRWNEINQDEG-XCBNKYQSSA-N -2 3 380.806 0.414 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1F ZINC000776635347 641108963 /nfs/dbraw/zinc/10/89/63/641108963.db2.gz RFYGYAYDONACIU-LURJTMIESA-N -3 3 381.309 0.205 20 0 GCADHL O=C([O-])CN(C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000780695614 641214462 /nfs/dbraw/zinc/21/44/62/641214462.db2.gz UXNJGZMWGRYEJP-UHFFFAOYSA-N -2 3 381.863 0.938 20 0 GCADHL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000863956449 641254056 /nfs/dbraw/zinc/25/40/56/641254056.db2.gz OZYHCCAEDIMWFF-NSHDSACASA-N -3 3 396.418 0.359 20 0 GCADHL C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCCOC1 ZINC000784896710 641297112 /nfs/dbraw/zinc/29/71/12/641297112.db2.gz LZWCTXZKQANLCY-CQSZACIVSA-N -2 3 394.446 0.819 20 0 GCADHL COC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898427 641297900 /nfs/dbraw/zinc/29/79/00/641297900.db2.gz XHAFLPXPCNKARJ-SECBINFHSA-N -2 3 382.435 0.675 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@H]2CCCOC2)cc1F ZINC000784897660 641297949 /nfs/dbraw/zinc/29/79/49/641297949.db2.gz FRLFBLYTCNDHEK-VIFPVBQESA-N -2 3 380.419 0.429 20 0 GCADHL CC[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)O1 ZINC000784898754 641297970 /nfs/dbraw/zinc/29/79/70/641297970.db2.gz OFDVVBSNPHKWQH-NOZJJQNGSA-N -2 3 394.446 0.960 20 0 GCADHL CC[C@@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)O1 ZINC000784898755 641298152 /nfs/dbraw/zinc/29/81/52/641298152.db2.gz OFDVVBSNPHKWQH-RNCFNFMXSA-N -2 3 394.446 0.960 20 0 GCADHL Cc1ocnc1C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898985 641298654 /nfs/dbraw/zinc/29/86/54/641298654.db2.gz RCZPFKCFOHHBQH-UHFFFAOYSA-N -2 3 377.375 0.612 20 0 GCADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000811833258 641762367 /nfs/dbraw/zinc/76/23/67/641762367.db2.gz UYOPOPDVNZLUBI-UHFFFAOYSA-N -2 3 382.826 0.922 20 0 GCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccnc(Cl)c1I ZINC000816733949 641864298 /nfs/dbraw/zinc/86/42/98/641864298.db2.gz SSJKOMHPMVIDDW-UHFFFAOYSA-N -2 3 381.517 0.726 20 0 GCADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC000830135946 642132551 /nfs/dbraw/zinc/13/25/51/642132551.db2.gz NXBVKHWYHUTANS-ZCFIWIBFSA-N -2 3 379.309 0.681 20 0 GCADHL COC(=O)[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOC1 ZINC000831093923 642155604 /nfs/dbraw/zinc/15/56/04/642155604.db2.gz LWIXADUIJOHLAE-NSHDSACASA-N -2 3 398.187 0.351 20 0 GCADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)nn1 ZINC000844797765 642411619 /nfs/dbraw/zinc/41/16/19/642411619.db2.gz BMUVEENYFLPZST-UHFFFAOYSA-N -2 3 377.785 0.923 20 0 GCADHL CN1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1=O ZINC000844894230 642418165 /nfs/dbraw/zinc/41/81/65/642418165.db2.gz JLHTUOQRJWBAGV-YFKPBYRVSA-N -2 3 383.245 0.718 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@]2(O)CCCOC2)c(Br)o1 ZINC000844900746 642420463 /nfs/dbraw/zinc/42/04/63/642420463.db2.gz ABUVOIVSZLAFGH-LBPRGKRZSA-N -2 3 398.231 0.950 20 0 GCADHL CCO[N-]C(=O)C[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000846004132 642467048 /nfs/dbraw/zinc/46/70/48/642467048.db2.gz ZLZLUQWELRMYEY-UHFFFAOYSA-N -2 3 376.865 0.151 20 0 GCADHL NC(=O)[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCOC1 ZINC000846769761 642498466 /nfs/dbraw/zinc/49/84/66/642498466.db2.gz DGNWBHFHCQTCTG-GFCCVEGCSA-N -2 3 383.209 0.614 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000848676094 642549953 /nfs/dbraw/zinc/54/99/53/642549953.db2.gz NYCVUBAWSTZXEL-TVQRCGJNSA-N -2 3 375.374 0.689 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]NC(=O)c2ccccc2[O-])c([N+](=O)[O-])c1 ZINC000028196830 1192898627 /nfs/dbraw/zinc/89/86/27/1192898627.db2.gz BOYVETKLHLOMAS-UHFFFAOYSA-N -2 3 395.349 0.710 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275334044 1184612350 /nfs/dbraw/zinc/61/23/50/1184612350.db2.gz UONHRMSIIBKHEZ-LBPRGKRZSA-N -2 3 385.373 0.320 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H](O)C(F)(F)F ZINC001213349281 1185600337 /nfs/dbraw/zinc/60/03/37/1185600337.db2.gz WNIWITUBDRTANB-WKEGUHRASA-N -2 3 394.368 0.787 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548224118 1185895956 /nfs/dbraw/zinc/89/59/56/1185895956.db2.gz ZBACGMZHBXPJOK-NSHDSACASA-N -2 3 399.400 0.568 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1ccc(CC(=O)[O-])cc1)C(=O)[O-] ZINC000684562144 1186150513 /nfs/dbraw/zinc/15/05/13/1186150513.db2.gz SLXYRMNUBWEFPE-CYBMUJFWSA-N -3 3 382.394 0.893 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000685709304 1187321014 /nfs/dbraw/zinc/32/10/14/1187321014.db2.gz CXRDKQAGESPFLM-UHFFFAOYSA-N -2 3 393.381 0.552 20 0 GCADHL COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000729294395 1193911367 /nfs/dbraw/zinc/91/13/67/1193911367.db2.gz TWDBGICDBOZFFL-UHFFFAOYSA-N -2 3 382.328 0.692 20 0 GCADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)[n-]1 ZINC000414450716 1194221627 /nfs/dbraw/zinc/22/16/27/1194221627.db2.gz GVKBOBRBWAOESJ-UHFFFAOYSA-N -2 3 382.398 0.724 20 0 GCADHL O=C(CNC(=O)c1ncccc1[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000436732322 1195032295 /nfs/dbraw/zinc/03/22/95/1195032295.db2.gz CMJUOEGGJOHFTE-UHFFFAOYSA-N -2 3 384.392 0.207 20 0 GCADHL CS(=O)(=O)Cc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000518532316 1195300017 /nfs/dbraw/zinc/30/00/17/1195300017.db2.gz MCFJZGDZHZQKLD-UHFFFAOYSA-N -2 3 394.430 0.916 20 0 GCADHL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3c(C)[nH]c(=O)[n-]c3=O)cc2)[n-]1 ZINC000427139397 1195510719 /nfs/dbraw/zinc/51/07/19/1195510719.db2.gz GGLBDUBKQQGMPY-UHFFFAOYSA-N -2 3 399.363 0.643 20 0 GCADHL Cn1cc([C@@H](CNC(=O)c2ncccc2[O-])NC(=O)c2ncccc2[O-])cn1 ZINC000427652344 1195857902 /nfs/dbraw/zinc/85/79/02/1195857902.db2.gz UXWCEQCHEVCJGS-GFCCVEGCSA-N -2 3 382.380 0.522 20 0 GCADHL CO[C@@H](CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000427785589 1195878344 /nfs/dbraw/zinc/87/83/44/1195878344.db2.gz BHCMWMOVPHMRSV-ZDUSSCGKSA-N -2 3 385.373 0.784 20 0 GCADHL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC000524409614 1196593026 /nfs/dbraw/zinc/59/30/26/1196593026.db2.gz CDYHBJUTFBSADQ-LBPRGKRZSA-N -2 3 395.441 0.258 20 0 GCADHL CN(C)c1nc(C(=O)N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc(=O)[n-]1 ZINC000455804227 1197577303 /nfs/dbraw/zinc/57/73/03/1197577303.db2.gz WFAHBKLSPNMOAJ-SWLSCSKDSA-N -2 3 399.407 0.405 20 0 GCADHL CCOC(=O)c1c(C)n[n-]c1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000788556255 1205425090 /nfs/dbraw/zinc/42/50/90/1205425090.db2.gz KGJXZNZACXPKHG-UHFFFAOYSA-N -2 3 396.454 0.975 20 0 GCADHL CCOC(=O)c1c(C)[n-]nc1S(=O)(=O)N=c1nc(-c2cccs2)[n-]n1C ZINC000788556255 1205425093 /nfs/dbraw/zinc/42/50/93/1205425093.db2.gz KGJXZNZACXPKHG-UHFFFAOYSA-N -2 3 396.454 0.975 20 0 GCADHL COC(=O)[C@@H]1C[C@H](NC2(P(=O)([O-])[O-])Cc3ccccc3C2)C[C@@H]1C(=O)OC ZINC001173564388 1205723540 /nfs/dbraw/zinc/72/35/40/1205723540.db2.gz KQDQXAMAEFCHNY-QDMKHBRRSA-N -2 3 397.364 0.990 20 0 GCADHL CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178748826 1205793554 /nfs/dbraw/zinc/79/35/54/1205793554.db2.gz GZEOGYRBURRAPB-NEPJUHHUSA-N -2 3 380.378 0.678 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001179149919 1205803906 /nfs/dbraw/zinc/80/39/06/1205803906.db2.gz UKUDAUNSIBKAFP-LRDDRELGSA-N -2 3 392.389 0.944 20 0 GCADHL Cn1c(=O)c2ccc(C(=O)N[C@H]3CCN(c4cc(=O)[n-]cn4)C3)cc2[n-]c1=S ZINC001180029091 1205817249 /nfs/dbraw/zinc/81/72/49/1205817249.db2.gz YONNBIKATBWNRV-NSHDSACASA-N -2 3 398.448 0.727 20 0 GCADHL COCCC1([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCS(=O)(=O)CC1 ZINC001180176560 1205818134 /nfs/dbraw/zinc/81/81/34/1205818134.db2.gz GNGCBZPMFVZACH-UHFFFAOYSA-N -2 3 379.328 0.442 20 0 GCADHL CCOC(=O)C([N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1)=C(C)[O-] ZINC001184975077 1205914972 /nfs/dbraw/zinc/91/49/72/1205914972.db2.gz OXWLAOBPKXHVLZ-VIFPVBQESA-N -2 3 378.428 0.427 20 0 GCADHL CCOC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568695 1205924192 /nfs/dbraw/zinc/92/41/92/1205924192.db2.gz XBNDWYGIACOTRO-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1nccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568695 1205924193 /nfs/dbraw/zinc/92/41/93/1205924193.db2.gz XBNDWYGIACOTRO-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL COc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)c(OC)n1 ZINC001185574614 1205924237 /nfs/dbraw/zinc/92/42/37/1205924237.db2.gz XIERZNYEMUPTLZ-UHFFFAOYSA-N -2 3 377.386 0.783 20 0 GCADHL COc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)c(OC)n1 ZINC001185574614 1205924239 /nfs/dbraw/zinc/92/42/39/1205924239.db2.gz XIERZNYEMUPTLZ-UHFFFAOYSA-N -2 3 377.386 0.783 20 0 GCADHL CCOC(=O)Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185567731 1205924265 /nfs/dbraw/zinc/92/42/65/1205924265.db2.gz FHDYQFGCUSCBSF-UHFFFAOYSA-N -2 3 389.397 0.563 20 0 GCADHL CCOC(=O)Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185567731 1205924266 /nfs/dbraw/zinc/92/42/66/1205924266.db2.gz FHDYQFGCUSCBSF-UHFFFAOYSA-N -2 3 389.397 0.563 20 0 GCADHL CCOC(=O)c1nnsc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567730 1205924393 /nfs/dbraw/zinc/92/43/93/1205924393.db2.gz FFZOPUJPOJUFDI-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL CCOC(=O)c1nnsc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567730 1205924395 /nfs/dbraw/zinc/92/43/95/1205924395.db2.gz FFZOPUJPOJUFDI-UHFFFAOYSA-N -2 3 381.399 0.696 20 0 GCADHL CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001186808540 1205948129 /nfs/dbraw/zinc/94/81/29/1205948129.db2.gz VVENARKCZJAUOA-MLGOLLRUSA-N -2 3 391.357 0.568 20 0 GCADHL CCOC(=O)CC[C@H](NC(=O)NCCCCP(=O)([O-])[O-])C(=O)OCC ZINC001190488919 1206035559 /nfs/dbraw/zinc/03/55/59/1206035559.db2.gz WFBFTXVRVTXQOV-NSHDSACASA-N -2 3 382.350 0.519 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)cc1OC ZINC000555852112 939306761 /nfs/dbraw/zinc/30/67/61/939306761.db2.gz YVTBXVWLDQPOEV-OAHLLOKOSA-N -2 3 387.414 0.822 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1C ZINC000820187642 945369237 /nfs/dbraw/zinc/36/92/37/945369237.db2.gz KOCNZXAXTGOHLD-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1C ZINC000820187642 945369249 /nfs/dbraw/zinc/36/92/49/945369249.db2.gz KOCNZXAXTGOHLD-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL O=C([O-])c1cnc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC001611565488 971108265 /nfs/dbraw/zinc/10/82/65/971108265.db2.gz RNFTVGGGEQNWJQ-UHFFFAOYSA-N -2 3 386.336 0.161 20 0 GCADHL NC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC000326849630 971336100 /nfs/dbraw/zinc/33/61/00/971336100.db2.gz FEDGBQQGXAHYEE-UHFFFAOYSA-N -2 3 393.824 0.405 20 0 GCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826181114 947560836 /nfs/dbraw/zinc/56/08/36/947560836.db2.gz LMTFPXJKWLACRV-UHFFFAOYSA-N -2 3 377.386 0.783 20 0 GCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826181114 947560843 /nfs/dbraw/zinc/56/08/43/947560843.db2.gz LMTFPXJKWLACRV-UHFFFAOYSA-N -2 3 377.386 0.783 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000826279562 947804369 /nfs/dbraw/zinc/80/43/69/947804369.db2.gz UUHVINPPUIMMRB-CMPLNLGQSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)[C@@H](C)C1 ZINC000826279562 947804388 /nfs/dbraw/zinc/80/43/88/947804388.db2.gz UUHVINPPUIMMRB-CMPLNLGQSA-N -2 3 377.426 0.985 20 0 GCADHL O=C(COC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)[N-]OCc1ccccc1 ZINC000826415061 948254532 /nfs/dbraw/zinc/25/45/32/948254532.db2.gz QJHCBHNXYHVLHX-MRXNPFEDSA-N -2 3 383.364 0.691 20 0 GCADHL O=C(COC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)[N-]OCc1ccccc1 ZINC000826415061 948254543 /nfs/dbraw/zinc/25/45/43/948254543.db2.gz QJHCBHNXYHVLHX-MRXNPFEDSA-N -2 3 383.364 0.691 20 0 GCADHL O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826450417 948316137 /nfs/dbraw/zinc/31/61/37/948316137.db2.gz LFYFKQAXLVTWRR-UHFFFAOYSA-N -2 3 392.788 0.615 20 0 GCADHL O=C([N-]S(=O)(=O)c1c(Cl)nc2ccccn21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826450417 948316147 /nfs/dbraw/zinc/31/61/47/948316147.db2.gz LFYFKQAXLVTWRR-UHFFFAOYSA-N -2 3 392.788 0.615 20 0 GCADHL O=S(=O)([N-]c1ccc(F)cc1-c1nn[n-]n1)c1cccc(-n2cnnn2)c1 ZINC000826492804 948405876 /nfs/dbraw/zinc/40/58/76/948405876.db2.gz FEXHHKUEVHJREG-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884234 949840313 /nfs/dbraw/zinc/84/03/13/949840313.db2.gz HRIQQFGQWDRJJZ-GXSJLCMTSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884234 949840333 /nfs/dbraw/zinc/84/03/33/949840333.db2.gz HRIQQFGQWDRJJZ-GXSJLCMTSA-N -2 3 382.384 0.328 20 0 GCADHL CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC001589713269 950342958 /nfs/dbraw/zinc/34/29/58/950342958.db2.gz KGJCNMHXXCTBSB-JTQLQIEISA-N -2 3 394.471 0.941 20 0 GCADHL O=C([O-])[C@@H]1CCCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000263394204 950434782 /nfs/dbraw/zinc/43/47/82/950434782.db2.gz QXRWQIVAMVOEPI-SNVBAGLBSA-N -2 3 391.396 0.749 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]CCc2ccc(-c3nn[n-]n3)cc2)on1 ZINC001571130162 952578378 /nfs/dbraw/zinc/57/83/78/952578378.db2.gz OYSINWLNADKWNT-UHFFFAOYSA-N -2 3 378.370 0.162 20 0 GCADHL C[C@@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CN1C(=O)c1ncccc1[O-] ZINC001571194860 952969870 /nfs/dbraw/zinc/96/98/70/952969870.db2.gz TVVFAGWDAKEWTR-ZJUUUORDSA-N -2 3 382.384 0.328 20 0 GCADHL O=C(c1ccc([O-])cn1)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC001571195063 952973366 /nfs/dbraw/zinc/97/33/66/952973366.db2.gz XKSCBQLAMGHJPV-UHFFFAOYSA-N -2 3 382.384 0.795 20 0 GCADHL O=c1cc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571234944 953207095 /nfs/dbraw/zinc/20/70/95/953207095.db2.gz NMTVPBCHRGQSCI-HQJQHLMTSA-N -2 3 384.322 0.672 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571239487 953239959 /nfs/dbraw/zinc/23/99/59/953239959.db2.gz VJFBJCXWIYCQFC-WPRPVWTQSA-N -2 3 384.404 0.181 20 0 GCADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)[O-] ZINC001593624765 953544943 /nfs/dbraw/zinc/54/49/43/953544943.db2.gz PIHZVSCPCANVDH-QMMMGPOBSA-N -2 3 383.195 0.829 20 0 GCADHL CN(C)[S@](=O)(=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001593703594 954141404 /nfs/dbraw/zinc/14/14/04/954141404.db2.gz GATLDABAQMXPGO-JCQPUDPBSA-N -2 3 377.444 0.068 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001594888464 954486256 /nfs/dbraw/zinc/48/62/56/954486256.db2.gz DSCLIWJLFSQFQB-PEXQALLHSA-N -2 3 388.346 0.637 20 0 GCADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC001594888464 954486266 /nfs/dbraw/zinc/48/62/66/954486266.db2.gz DSCLIWJLFSQFQB-PEXQALLHSA-N -2 3 388.346 0.637 20 0 GCADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001594888467 954488088 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CCc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3n[nH]cc3C(=O)[O-])C2)ncn1 ZINC001597477812 987953763 /nfs/dbraw/zinc/95/37/63/987953763.db2.gz MJZDIZSNAWEQOW-NSHDSACASA-N -2 3 380.430 0.408 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(CO)C(=O)[O-])ccc1F ZINC001589839097 988319979 /nfs/dbraw/zinc/31/99/79/988319979.db2.gz OPWHALJSHWELND-OAHLLOKOSA-N -2 3 376.406 0.468 20 0 GCADHL CC(C)(C)OC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H](O)C1 ZINC001589984816 988877072 /nfs/dbraw/zinc/87/70/72/988877072.db2.gz IYOMBZHIBHFXCQ-VHSXEESVSA-N -2 3 390.414 0.626 20 0 GCADHL C[C@@H](O)[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(=O)[O-] ZINC001599845355 988921817 /nfs/dbraw/zinc/92/18/17/988921817.db2.gz WGUVSOGPWMXSOU-CVYQJGLWSA-N -3 3 388.217 0.321 20 0 GCADHL C[C@@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC001599858580 989129170 /nfs/dbraw/zinc/12/91/70/989129170.db2.gz LIDVJLDHOPCJOW-MWLCHTKSSA-N -2 3 391.396 0.605 20 0 GCADHL 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CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000735733955 598857912 /nfs/dbraw/zinc/85/79/12/598857912.db2.gz DGKGRSNULKQDET-FZMZJTMJSA-N -2 3 395.441 0.505 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000735733955 598857913 /nfs/dbraw/zinc/85/79/13/598857913.db2.gz DGKGRSNULKQDET-FZMZJTMJSA-N -2 3 395.441 0.505 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736971595 598858821 /nfs/dbraw/zinc/85/88/21/598858821.db2.gz VJWAZIBHISSONP-GFCCVEGCSA-N -2 3 397.457 0.897 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736971595 598858823 /nfs/dbraw/zinc/85/88/23/598858823.db2.gz VJWAZIBHISSONP-GFCCVEGCSA-N -2 3 397.457 0.897 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736913031 598924514 /nfs/dbraw/zinc/92/45/14/598924514.db2.gz LXYUKQCIWYQSHL-JTQLQIEISA-N -2 3 397.413 0.033 20 0 GCADHL COC(=O)CCCS(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 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3 384.385 0.032 20 0 GCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000737474983 598975337 /nfs/dbraw/zinc/97/53/37/598975337.db2.gz VUPBBVKYBOOYAO-UHFFFAOYSA-N -2 3 378.439 0.988 20 0 GCADHL Cc1nc(CC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000737474983 598975339 /nfs/dbraw/zinc/97/53/39/598975339.db2.gz VUPBBVKYBOOYAO-UHFFFAOYSA-N -2 3 378.439 0.988 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000737298871 598976330 /nfs/dbraw/zinc/97/63/30/598976330.db2.gz MHPLTLSWPHYXMT-DGCLKSJQSA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)OC[C@H]1CCCO1 ZINC000737298871 598976332 /nfs/dbraw/zinc/97/63/32/598976332.db2.gz MHPLTLSWPHYXMT-DGCLKSJQSA-N -2 3 395.441 0.564 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cc1C(N)=O ZINC000737369771 599028262 /nfs/dbraw/zinc/02/82/62/599028262.db2.gz MBLSOTBSOHUEGW-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cc1C(N)=O ZINC000737369771 599028265 /nfs/dbraw/zinc/02/82/65/599028265.db2.gz MBLSOTBSOHUEGW-UHFFFAOYSA-N -2 3 392.422 0.454 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000737762254 599028674 /nfs/dbraw/zinc/02/86/74/599028674.db2.gz WOOOGNFQULXSGP-UHFFFAOYSA-N -2 3 384.424 0.207 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000737762254 599028676 /nfs/dbraw/zinc/02/86/76/599028676.db2.gz WOOOGNFQULXSGP-UHFFFAOYSA-N -2 3 384.424 0.207 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cnn2ccccc12 ZINC000738137996 599219714 /nfs/dbraw/zinc/21/97/14/599219714.db2.gz BXYFHCOPRBQABR-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cnn2ccccc12 ZINC000738137996 599219716 /nfs/dbraw/zinc/21/97/16/599219716.db2.gz BXYFHCOPRBQABR-UHFFFAOYSA-N -2 3 383.393 0.774 20 0 GCADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819826629 599232445 /nfs/dbraw/zinc/23/24/45/599232445.db2.gz MHHBEXSMISUVKR-UHFFFAOYSA-N -2 3 380.415 0.786 20 0 GCADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819826629 599232447 /nfs/dbraw/zinc/23/24/47/599232447.db2.gz MHHBEXSMISUVKR-UHFFFAOYSA-N -2 3 380.415 0.786 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000821663574 599232748 /nfs/dbraw/zinc/23/27/48/599232748.db2.gz DOJLNBYEIXZELC-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n1 ZINC000821663574 599232750 /nfs/dbraw/zinc/23/27/50/599232750.db2.gz DOJLNBYEIXZELC-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc21 ZINC000826034939 607778905 /nfs/dbraw/zinc/77/89/05/607778905.db2.gz ZOPFOKLWZPWMCW-UHFFFAOYSA-N -2 3 387.425 0.696 20 0 GCADHL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc21 ZINC000826034939 607778906 /nfs/dbraw/zinc/77/89/06/607778906.db2.gz ZOPFOKLWZPWMCW-UHFFFAOYSA-N -2 3 387.425 0.696 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)NCC(=O)[O-])ccc1F ZINC000819914913 597832899 /nfs/dbraw/zinc/83/28/99/597832899.db2.gz LTRFRGFGWWNGGG-UHFFFAOYSA-N -2 3 390.389 0.260 20 0 GCADHL O=C([O-])[C@@H]1CC(C(=O)Nc2n[n-]c(SCCO)n2)=NN1c1ccccc1 ZINC000821479298 598053131 /nfs/dbraw/zinc/05/31/31/598053131.db2.gz WBJZBOBWOQJGSG-NSHDSACASA-N -2 3 376.398 0.547 20 0 GCADHL O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343470 598267945 /nfs/dbraw/zinc/26/79/45/598267945.db2.gz ZQCGHZRVDYDQTH-UHFFFAOYSA-N -2 3 383.397 0.702 20 0 GCADHL O=S(=O)([N-]c1cccc(Cn2cncn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343470 598267947 /nfs/dbraw/zinc/26/79/47/598267947.db2.gz ZQCGHZRVDYDQTH-UHFFFAOYSA-N -2 3 383.397 0.702 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736186325 598306552 /nfs/dbraw/zinc/30/65/52/598306552.db2.gz YRJFGDVGKJVCNM-VXGBXAGGSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736186325 598306553 /nfs/dbraw/zinc/30/65/53/598306553.db2.gz YRJFGDVGKJVCNM-VXGBXAGGSA-N -2 3 395.441 0.649 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736624304 598331687 /nfs/dbraw/zinc/33/16/87/598331687.db2.gz UICKHFOSWSHSKD-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736624304 598331688 /nfs/dbraw/zinc/33/16/88/598331688.db2.gz UICKHFOSWSHSKD-NSHDSACASA-N -2 3 383.430 0.254 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cnnc2)cc1 ZINC000738139223 598332490 /nfs/dbraw/zinc/33/24/90/598332490.db2.gz MUVJIZAKQCBSQV-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cnnc2)cc1 ZINC000738139223 598332492 /nfs/dbraw/zinc/33/24/92/598332492.db2.gz MUVJIZAKQCBSQV-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340549 598333399 /nfs/dbraw/zinc/33/33/99/598333399.db2.gz YRKWBHLDJQOTMN-UHFFFAOYSA-N -2 3 383.397 0.702 20 0 GCADHL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000736848205 598414695 /nfs/dbraw/zinc/41/46/95/598414695.db2.gz KKCPZEKMCDXRCQ-MRVPVSSYSA-N -2 3 398.832 0.193 20 0 GCADHL CN1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000736848205 598414696 /nfs/dbraw/zinc/41/46/96/598414696.db2.gz KKCPZEKMCDXRCQ-MRVPVSSYSA-N -2 3 398.832 0.193 20 0 GCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737604036 598415485 /nfs/dbraw/zinc/41/54/85/598415485.db2.gz MFBGXQLMSUKGLH-DJWKRKHSSA-N -2 3 393.816 0.772 20 0 GCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737604036 598415486 /nfs/dbraw/zinc/41/54/86/598415486.db2.gz MFBGXQLMSUKGLH-DJWKRKHSSA-N -2 3 393.816 0.772 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737984797 598433997 /nfs/dbraw/zinc/43/39/97/598433997.db2.gz FHJRUEOMSCBRCP-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737984797 598433998 /nfs/dbraw/zinc/43/39/98/598433998.db2.gz FHJRUEOMSCBRCP-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC(C)(C)C ZINC000736782972 598485215 /nfs/dbraw/zinc/48/52/15/598485215.db2.gz GNQZMIJLYYGRBN-UHFFFAOYSA-N -2 3 396.429 0.539 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC(C)(C)C ZINC000736782972 598485216 /nfs/dbraw/zinc/48/52/16/598485216.db2.gz GNQZMIJLYYGRBN-UHFFFAOYSA-N -2 3 396.429 0.539 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737520254 598536510 /nfs/dbraw/zinc/53/65/10/598536510.db2.gz CTADEPBHFVBCHQ-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1nn2cccnc2c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737520254 598536511 /nfs/dbraw/zinc/53/65/11/598536511.db2.gz CTADEPBHFVBCHQ-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736937559 598543727 /nfs/dbraw/zinc/54/37/27/598543727.db2.gz XKIXNVRBFWKYJV-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736937559 598543728 /nfs/dbraw/zinc/54/37/28/598543728.db2.gz XKIXNVRBFWKYJV-LBPRGKRZSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC000736949202 598675467 /nfs/dbraw/zinc/67/54/67/598675467.db2.gz OXGYEDDBUWMNAR-UHFFFAOYSA-N -2 3 378.345 0.988 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(N)=O ZINC000737370118 598752293 /nfs/dbraw/zinc/75/22/93/598752293.db2.gz NOSFVVFCCDMBBK-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(N)=O ZINC000737370118 598752295 /nfs/dbraw/zinc/75/22/95/598752295.db2.gz NOSFVVFCCDMBBK-UHFFFAOYSA-N -2 3 386.393 0.393 20 0 GCADHL C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736163868 598786033 /nfs/dbraw/zinc/78/60/33/598786033.db2.gz KYGPHTJSJRXBOS-SMDDNHRTSA-N -2 3 395.441 0.397 20 0 GCADHL C[C@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736163868 598786034 /nfs/dbraw/zinc/78/60/34/598786034.db2.gz KYGPHTJSJRXBOS-SMDDNHRTSA-N -2 3 395.441 0.397 20 0 GCADHL C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736163866 598786226 /nfs/dbraw/zinc/78/62/26/598786226.db2.gz KYGPHTJSJRXBOS-RISCZKNCSA-N -2 3 395.441 0.397 20 0 GCADHL C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736163866 598786228 /nfs/dbraw/zinc/78/62/28/598786228.db2.gz KYGPHTJSJRXBOS-RISCZKNCSA-N -2 3 395.441 0.397 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626459 598799328 /nfs/dbraw/zinc/79/93/28/598799328.db2.gz CSDZZBUBHRDRSL-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1nnc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626459 598799329 /nfs/dbraw/zinc/79/93/29/598799329.db2.gz CSDZZBUBHRDRSL-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821620406 599306480 /nfs/dbraw/zinc/30/64/80/599306480.db2.gz IWKXOSQDTNDQEQ-UHFFFAOYSA-N -2 3 387.381 0.418 20 0 GCADHL CN1C(=O)COc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821620406 599306482 /nfs/dbraw/zinc/30/64/82/599306482.db2.gz IWKXOSQDTNDQEQ-UHFFFAOYSA-N -2 3 387.381 0.418 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820050765 599620612 /nfs/dbraw/zinc/62/06/12/599620612.db2.gz GBRIXECUJQXCRD-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL CC(C)CC(=O)NCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820050765 599620613 /nfs/dbraw/zinc/62/06/13/599620613.db2.gz GBRIXECUJQXCRD-UHFFFAOYSA-N -2 3 380.430 0.224 20 0 GCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn12 ZINC000822424623 599620704 /nfs/dbraw/zinc/62/07/04/599620704.db2.gz XWSJXKYUYQHHPW-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c2ccccn12 ZINC000822424623 599620705 /nfs/dbraw/zinc/62/07/05/599620705.db2.gz XWSJXKYUYQHHPW-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL COC(=O)Cc1c(C(=O)[O-])sc2[n-]c(COc3nc(C)no3)nc(=O)c12 ZINC000737627983 599704944 /nfs/dbraw/zinc/70/49/44/599704944.db2.gz NNKFXTUUNXLBQG-UHFFFAOYSA-N -2 3 380.338 0.669 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)N3CCOCC3)c2)o1 ZINC000740176881 599774848 /nfs/dbraw/zinc/77/48/48/599774848.db2.gz WAIPBCLYDKHFRU-UHFFFAOYSA-N -2 3 394.405 0.929 20 0 GCADHL COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000737747411 599874456 /nfs/dbraw/zinc/87/44/56/599874456.db2.gz MQZIEFJUWBZZTM-SNVBAGLBSA-N -2 3 380.444 0.216 20 0 GCADHL Cn1nc(CC(C)(C)C)cc1NC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O ZINC000739051863 599874811 /nfs/dbraw/zinc/87/48/11/599874811.db2.gz ZFJKHSUHUGTHJL-SNVBAGLBSA-N -3 3 397.432 0.628 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)ccc1F ZINC000736262196 599942187 /nfs/dbraw/zinc/94/21/87/599942187.db2.gz GGBSPMDSRGMZEC-LBPRGKRZSA-N -2 3 388.417 0.828 20 0 GCADHL COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000737825414 600179309 /nfs/dbraw/zinc/17/93/09/600179309.db2.gz KJPXDXVZOKLBOE-UHFFFAOYSA-N -2 3 386.368 0.895 20 0 GCADHL O=C([O-])Cc1nc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n[nH]1 ZINC000739902441 600183468 /nfs/dbraw/zinc/18/34/68/600183468.db2.gz WHBQUXXFJQRXFC-UHFFFAOYSA-N -2 3 379.807 0.064 20 0 GCADHL CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737327552 600193852 /nfs/dbraw/zinc/19/38/52/600193852.db2.gz OQCKVIPHCVXEBR-GFCCVEGCSA-N -2 3 396.197 0.996 20 0 GCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CN2CCOCC2)c2ccccc2)c1C(=O)[O-] ZINC000738339345 600230495 /nfs/dbraw/zinc/23/04/95/600230495.db2.gz YYTKVMXQUQWDOW-CQSZACIVSA-N -2 3 394.453 0.768 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NCCCC(=O)[O-])cc1OC ZINC000573608367 600336775 /nfs/dbraw/zinc/33/67/75/600336775.db2.gz NYXRUGCWMAJBAG-UHFFFAOYSA-N -2 3 387.414 0.376 20 0 GCADHL COC[C@H]1CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[n-]2)C1 ZINC000737752712 600573560 /nfs/dbraw/zinc/57/35/60/600573560.db2.gz XBGZHUASDVNKDL-VIFPVBQESA-N -2 3 395.437 0.867 20 0 GCADHL CN1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CC1=O ZINC000737508728 600633566 /nfs/dbraw/zinc/63/35/66/600633566.db2.gz JOYDRAMGEJGUKS-ZCFIWIBFSA-N -2 3 395.206 0.795 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC(=O)N(CCOc3ccccc3)C2)o1 ZINC000833325185 600762464 /nfs/dbraw/zinc/76/24/64/600762464.db2.gz UYMMKDQVKUWUPS-LBPRGKRZSA-N -2 3 394.405 0.936 20 0 GCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183378 600798670 /nfs/dbraw/zinc/79/86/70/600798670.db2.gz HEZZGPUTJQORAI-IAQYHMDHSA-N -2 3 392.437 0.732 20 0 GCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000828184119 600798771 /nfs/dbraw/zinc/79/87/71/600798771.db2.gz 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O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823284801 606465571 /nfs/dbraw/zinc/46/55/71/606465571.db2.gz KEMHXBMKSRYLSA-UHFFFAOYSA-N -2 3 376.423 0.966 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823284801 606465572 /nfs/dbraw/zinc/46/55/72/606465572.db2.gz KEMHXBMKSRYLSA-UHFFFAOYSA-N -2 3 376.423 0.966 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822969249 606613088 /nfs/dbraw/zinc/61/30/88/606613088.db2.gz KPBUGICGMNHXHA-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL O=C(CCOC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822969249 606613089 /nfs/dbraw/zinc/61/30/89/606613089.db2.gz KPBUGICGMNHXHA-UHFFFAOYSA-N -2 3 395.441 0.398 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ncccn2)n1 ZINC000822209357 606695906 /nfs/dbraw/zinc/69/59/06/606695906.db2.gz FJIZTIGVEZZJMJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ncccn2)n1 ZINC000822209357 606695907 /nfs/dbraw/zinc/69/59/07/606695907.db2.gz FJIZTIGVEZZJMJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000821846569 606709171 /nfs/dbraw/zinc/70/91/71/606709171.db2.gz UQPCMTSPRYRUIJ-UHFFFAOYSA-N -3 3 379.358 0.108 20 0 GCADHL COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821668265 606709558 /nfs/dbraw/zinc/70/95/58/606709558.db2.gz XXQBVHYHQXPTMZ-UHFFFAOYSA-N -2 3 397.804 0.841 20 0 GCADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000822184652 606709664 /nfs/dbraw/zinc/70/96/64/606709664.db2.gz YTLKFBAYZMYSNY-UHFFFAOYSA-N -3 3 379.358 0.113 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)n1 ZINC000822622467 606711476 /nfs/dbraw/zinc/71/14/76/606711476.db2.gz DQDILKKNCXUROF-UHFFFAOYSA-N -3 3 389.397 0.588 20 0 GCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000821589641 606752496 /nfs/dbraw/zinc/75/24/96/606752496.db2.gz WYTPFXQAJTYNOU-UHFFFAOYSA-N 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CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)S(C)(=O)=O ZINC000819983692 606892681 /nfs/dbraw/zinc/89/26/81/606892681.db2.gz BKKVGLZJNAFSJQ-UHFFFAOYSA-N -2 3 395.413 0.246 20 0 GCADHL O=C1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CN1C1CC1 ZINC000823521354 606895134 /nfs/dbraw/zinc/89/51/34/606895134.db2.gz VOIOLFYDCZFLRY-MRVPVSSYSA-N -2 3 384.368 0.187 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821347256 606980293 /nfs/dbraw/zinc/98/02/93/606980293.db2.gz VAMJGJUOETYVLZ-UHFFFAOYSA-N -2 3 399.389 0.835 20 0 GCADHL CCOC(=O)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821347256 606980294 /nfs/dbraw/zinc/98/02/94/606980294.db2.gz VAMJGJUOETYVLZ-UHFFFAOYSA-N -2 3 399.389 0.835 20 0 GCADHL COCCN(CCC(=O)[O-])C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000821688917 607105309 /nfs/dbraw/zinc/10/53/09/607105309.db2.gz CIUVQFVMXSLAPN-UHFFFAOYSA-N -2 3 379.373 0.204 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000821701447 607110322 /nfs/dbraw/zinc/11/03/22/607110322.db2.gz OSETUWFKQNILMB-UHFFFAOYSA-N -2 3 390.381 0.725 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000821701447 607110324 /nfs/dbraw/zinc/11/03/24/607110324.db2.gz OSETUWFKQNILMB-UHFFFAOYSA-N -2 3 390.381 0.725 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n(C)n1 ZINC000821694340 607122539 /nfs/dbraw/zinc/12/25/39/607122539.db2.gz JAZFVINGXGKQNB-UHFFFAOYSA-N -2 3 377.430 0.898 20 0 GCADHL COCCc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(C)n1 ZINC000821694340 607122541 /nfs/dbraw/zinc/12/25/41/607122541.db2.gz JAZFVINGXGKQNB-UHFFFAOYSA-N -2 3 377.430 0.898 20 0 GCADHL CN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc2C1=O ZINC000821630439 607155477 /nfs/dbraw/zinc/15/54/77/607155477.db2.gz YAYXNMVMZQEVAO-UHFFFAOYSA-N -2 3 385.409 0.691 20 0 GCADHL CN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc2C1=O ZINC000821630439 607155478 /nfs/dbraw/zinc/15/54/78/607155478.db2.gz YAYXNMVMZQEVAO-UHFFFAOYSA-N -2 3 385.409 0.691 20 0 GCADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405003 607776633 /nfs/dbraw/zinc/77/66/33/607776633.db2.gz SDDOPRVCJSESQZ-JTQLQIEISA-N -2 3 385.496 0.910 20 0 GCADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405003 607776634 /nfs/dbraw/zinc/77/66/34/607776634.db2.gz SDDOPRVCJSESQZ-JTQLQIEISA-N -2 3 385.496 0.910 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826480881 607776911 /nfs/dbraw/zinc/77/69/11/607776911.db2.gz VUXPXJSEGBXTBR-UHFFFAOYSA-N -2 3 387.381 0.198 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826480881 607776912 /nfs/dbraw/zinc/77/69/12/607776912.db2.gz VUXPXJSEGBXTBR-UHFFFAOYSA-N -2 3 387.381 0.198 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450622 607779951 /nfs/dbraw/zinc/77/99/51/607779951.db2.gz UZIVBWWHFGEXGR-UHFFFAOYSA-N -2 3 387.303 0.727 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450622 607779952 /nfs/dbraw/zinc/77/99/52/607779952.db2.gz UZIVBWWHFGEXGR-UHFFFAOYSA-N -2 3 387.303 0.727 20 0 GCADHL O=S(=O)([N-]C[C@@H](CO)Cc1ccco1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489477 607906562 /nfs/dbraw/zinc/90/65/62/607906562.db2.gz QNRYOEWSADOCQT-VIFPVBQESA-N -2 3 399.379 0.867 20 0 GCADHL CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826227851 608000933 /nfs/dbraw/zinc/00/09/33/608000933.db2.gz YPIVWWJIDKUGGM-WKEGUHRASA-N -2 3 379.414 0.536 20 0 GCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824052987 608010998 /nfs/dbraw/zinc/01/09/98/608010998.db2.gz UOUPRHQVVFRAIU-ZCFIWIBFSA-N -2 3 379.320 0.979 20 0 GCADHL C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824052987 608010999 /nfs/dbraw/zinc/01/09/99/608010999.db2.gz UOUPRHQVVFRAIU-ZCFIWIBFSA-N -2 3 379.320 0.979 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000825915322 608011140 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YBNWPYRWMBYQAD-SNVBAGLBSA-N -2 3 387.290 0.737 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000826450328 608039372 /nfs/dbraw/zinc/03/93/72/608039372.db2.gz GYZODFZDMOINQB-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000826450328 608039373 /nfs/dbraw/zinc/03/93/73/608039373.db2.gz GYZODFZDMOINQB-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824744800 608076353 /nfs/dbraw/zinc/07/63/53/608076353.db2.gz GHHKFUBJGINDOQ-QWRGUYRKSA-N -2 3 381.414 0.117 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCOC1 ZINC000824744800 608076354 /nfs/dbraw/zinc/07/63/54/608076354.db2.gz GHHKFUBJGINDOQ-QWRGUYRKSA-N -2 3 381.414 0.117 20 0 GCADHL COCCOc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)cc1C ZINC000826162854 608306746 /nfs/dbraw/zinc/30/67/46/608306746.db2.gz VCYRJJGHYWLCFU-UHFFFAOYSA-N -2 3 379.402 0.724 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824377489 608454796 /nfs/dbraw/zinc/45/47/96/608454796.db2.gz GCPWACTUWSANCP-UHFFFAOYSA-N -2 3 391.413 0.528 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824378146 608455387 /nfs/dbraw/zinc/45/53/87/608455387.db2.gz ZJLPOXGRXCSKLL-UHFFFAOYSA-N -2 3 391.413 0.528 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824378146 608455388 /nfs/dbraw/zinc/45/53/88/608455388.db2.gz ZJLPOXGRXCSKLL-UHFFFAOYSA-N -2 3 391.413 0.528 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000824377847 608455586 /nfs/dbraw/zinc/45/55/86/608455586.db2.gz PLNUWVSLLZWKTQ-UHFFFAOYSA-N -2 3 391.413 0.528 20 0 GCADHL CC(C)n1cnc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000824377847 608455588 /nfs/dbraw/zinc/45/55/88/608455588.db2.gz PLNUWVSLLZWKTQ-UHFFFAOYSA-N -2 3 391.413 0.528 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1sccc1-c1nnn[n-]1 ZINC000826450633 608478352 /nfs/dbraw/zinc/47/83/52/608478352.db2.gz VTDIERUWZSFWCU-UHFFFAOYSA-N -2 3 379.379 0.776 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1sccc1-c1nn[n-]n1 ZINC000826450633 608478353 /nfs/dbraw/zinc/47/83/53/608478353.db2.gz VTDIERUWZSFWCU-UHFFFAOYSA-N -2 3 379.379 0.776 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ncn(-c2ccccc2)n1 ZINC000826450421 608588904 /nfs/dbraw/zinc/58/89/04/608588904.db2.gz LOCAJAAELKIGTH-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ncn(-c2ccccc2)n1 ZINC000826450421 608588907 /nfs/dbraw/zinc/58/89/07/608588907.db2.gz LOCAJAAELKIGTH-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825658930 608819999 /nfs/dbraw/zinc/81/99/99/608819999.db2.gz MCLFGOKBHWVCKH-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825658930 608820002 /nfs/dbraw/zinc/82/00/02/608820002.db2.gz MCLFGOKBHWVCKH-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1CSCCS1 ZINC000826449966 609143727 /nfs/dbraw/zinc/14/37/27/609143727.db2.gz QXEAZTOBGRLWLX-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1CSCCS1 ZINC000826449966 609143729 /nfs/dbraw/zinc/14/37/29/609143729.db2.gz QXEAZTOBGRLWLX-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826420544 609161895 /nfs/dbraw/zinc/16/18/95/609161895.db2.gz RBPJRMKIABMHLO-ZDUSSCGKSA-N -2 3 397.482 0.725 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000826420544 609161897 /nfs/dbraw/zinc/16/18/97/609161897.db2.gz RBPJRMKIABMHLO-ZDUSSCGKSA-N -2 3 397.482 0.725 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826221843 609254564 /nfs/dbraw/zinc/25/45/64/609254564.db2.gz XMWQYFMNAJVROO-UHFFFAOYSA-N -2 3 388.409 0.839 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826221843 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Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1 ZINC000625604890 1200081672 /nfs/dbraw/zinc/08/16/72/1200081672.db2.gz BRGRRCSMLDLJNG-UHFFFAOYSA-N -2 3 390.425 0.748 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000676003437 1200476574 /nfs/dbraw/zinc/47/65/74/1200476574.db2.gz BSWVHDMTNCEIQW-JTQLQIEISA-N -2 3 381.410 0.973 20 0 GCADHL NC(=O)C(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000509396480 1201005513 /nfs/dbraw/zinc/00/55/13/1201005513.db2.gz KOYNGVQCYKNJIB-UHFFFAOYSA-N -2 3 393.377 0.375 20 0 GCADHL Cc1nc(C)c(CC(=O)OCC2=Nc3ccccc3S(=O)(=O)[N-]2)c(=O)[n-]1 ZINC000727187373 1201350976 /nfs/dbraw/zinc/35/09/76/1201350976.db2.gz PPSVTLBYTQUJKJ-UHFFFAOYSA-N -2 3 376.394 0.907 20 0 GCADHL COC(=O)c1cccc(CS(=O)(=O)[N-]C(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000789577511 1205443006 /nfs/dbraw/zinc/44/30/06/1205443006.db2.gz JZPLNLSOYDYZEL-UHFFFAOYSA-N -2 3 393.421 0.774 20 0 GCADHL C[C@H](Cn1cnc2c1ncnc2N=C1CCCN(C)C1)OCP(=O)([O-])[O-] ZINC001175575467 1205739322 /nfs/dbraw/zinc/73/93/22/1205739322.db2.gz WUQJXRRPRFOUAN-LLVKDONJSA-N -2 3 382.361 0.998 20 0 GCADHL O=C([O-])CN1CCCn2nc(C(=O)[N-]c3nnc(-c4ccco4)o3)cc2C1=O ZINC001178365943 1205786654 /nfs/dbraw/zinc/78/66/54/1205786654.db2.gz LWJALRRPNVDQGY-UHFFFAOYSA-N -2 3 386.324 0.709 20 0 GCADHL CC(C)(C)OC(=O)N1CCN(CC(=O)NCCCCP(=O)([O-])[O-])C(=O)C1 ZINC001178503278 1205788941 /nfs/dbraw/zinc/78/89/41/1205788941.db2.gz QUGIGIYZTBVPFR-UHFFFAOYSA-N -2 3 393.377 0.140 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178665600 1205791526 /nfs/dbraw/zinc/79/15/26/1205791526.db2.gz UGFOFJLQBPKPRH-NWDGAFQWSA-N -2 3 380.378 0.678 20 0 GCADHL O=S(=O)([N-]c1cnccc1N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185573648 1205924173 /nfs/dbraw/zinc/92/41/73/1205924173.db2.gz OMDPJLFGKIPUGF-UHFFFAOYSA-N -2 3 387.425 0.899 20 0 GCADHL O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565681 1205924322 /nfs/dbraw/zinc/92/43/22/1205924322.db2.gz BKAJALMBINUBIB-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL O=S(=O)([N-]c1cc(N2CCOCC2)ncn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565681 1205924324 /nfs/dbraw/zinc/92/43/24/1205924324.db2.gz BKAJALMBINUBIB-UHFFFAOYSA-N -2 3 388.413 0.294 20 0 GCADHL COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001185568068 1205924341 /nfs/dbraw/zinc/92/43/41/1205924341.db2.gz LGYGIYVLFKMHJP-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001185568068 1205924342 /nfs/dbraw/zinc/92/43/42/1205924342.db2.gz LGYGIYVLFKMHJP-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1ccc(N2CCOCC2)nc1 ZINC001188548841 1205987230 /nfs/dbraw/zinc/98/72/30/1205987230.db2.gz BANPRVBEYKZXCV-UHFFFAOYSA-N -2 3 379.375 0.154 20 0 GCADHL CCOC(=O)c1[n-]cnc1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189915865 1206020453 /nfs/dbraw/zinc/02/04/53/1206020453.db2.gz YFPQQXIZXDUERZ-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL CCOC(=O)c1nc[n-]c1NC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[O-])c1 ZINC001189915865 1206020456 /nfs/dbraw/zinc/02/04/56/1206020456.db2.gz YFPQQXIZXDUERZ-UHFFFAOYSA-N -3 3 383.338 0.784 20 0 GCADHL Cn1nccc1[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000843337705 939230756 /nfs/dbraw/zinc/23/07/56/939230756.db2.gz KRRSUVSZBUQVFG-CQSZACIVSA-N -2 3 396.400 0.556 20 0 GCADHL Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC001600790829 970864193 /nfs/dbraw/zinc/86/41/93/970864193.db2.gz OZGNIACCBFZHBG-LURJTMIESA-N -2 3 377.220 0.799 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000736932742 944911850 /nfs/dbraw/zinc/91/18/50/944911850.db2.gz SIENFSQUMYAURQ-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820206521 945384209 /nfs/dbraw/zinc/38/42/09/945384209.db2.gz OKAQAOUIDGWVIT-UHFFFAOYSA-N -2 3 391.413 0.811 20 0 GCADHL CC(C)c1nnc(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820206521 945384220 /nfs/dbraw/zinc/38/42/20/945384220.db2.gz OKAQAOUIDGWVIT-UHFFFAOYSA-N -2 3 391.413 0.811 20 0 GCADHL CC1([C@@H]2CCCN(Cc3cc(=O)n4[n-]cc(-c5nnn[n-]5)c4n3)C2)OCCO1 ZINC001571268486 945598981 /nfs/dbraw/zinc/59/89/81/945598981.db2.gz UAWDGTTYOQBDGI-LLVKDONJSA-N -2 3 386.416 0.590 20 0 GCADHL O=S(=O)([N-]C[C@H](O)c1cncs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571286116 945938122 /nfs/dbraw/zinc/93/81/22/945938122.db2.gz YKCVLHLELQIRPQ-VIFPVBQESA-N -2 3 388.381 0.613 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000822528179 946114453 /nfs/dbraw/zinc/11/44/53/946114453.db2.gz WFKQHLWMWVCWNY-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822528179 946114459 /nfs/dbraw/zinc/11/44/59/946114459.db2.gz WFKQHLWMWVCWNY-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL O=C(CSCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823061206 946300689 /nfs/dbraw/zinc/30/06/89/946300689.db2.gz ZVYPEPPTUIPVOA-UHFFFAOYSA-N -2 3 394.438 0.734 20 0 GCADHL O=C(CSCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)Cc1ccon1 ZINC000823061206 946300699 /nfs/dbraw/zinc/30/06/99/946300699.db2.gz ZVYPEPPTUIPVOA-UHFFFAOYSA-N -2 3 394.438 0.734 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823994643 946535780 /nfs/dbraw/zinc/53/57/80/946535780.db2.gz LVNUKXLRCHBAEW-ZDUSSCGKSA-N -2 3 380.430 0.222 20 0 GCADHL CC(=O)N[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823994643 946535791 /nfs/dbraw/zinc/53/57/91/946535791.db2.gz LVNUKXLRCHBAEW-ZDUSSCGKSA-N -2 3 380.430 0.222 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000823994914 946538849 /nfs/dbraw/zinc/53/88/49/946538849.db2.gz RZQSRRIORMWSBM-UHFFFAOYSA-N -2 3 395.426 0.011 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000823994914 946538862 /nfs/dbraw/zinc/53/88/62/946538862.db2.gz RZQSRRIORMWSBM-UHFFFAOYSA-N -2 3 395.426 0.011 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824868292 946961105 /nfs/dbraw/zinc/96/11/05/946961105.db2.gz UTCVLBSIFIUTEV-QWRGUYRKSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824868292 946961113 /nfs/dbraw/zinc/96/11/13/946961113.db2.gz UTCVLBSIFIUTEV-QWRGUYRKSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868654 946964941 /nfs/dbraw/zinc/96/49/41/946964941.db2.gz WVBMNKMPRQWKSX-GWCFXTLKSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868654 946964945 /nfs/dbraw/zinc/96/49/45/946964945.db2.gz WVBMNKMPRQWKSX-GWCFXTLKSA-N -2 3 377.426 0.818 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](c1cccs1)N1CCOCC1 ZINC000326869834 971337738 /nfs/dbraw/zinc/33/77/38/971337738.db2.gz YKUMCHIRMFGCTL-LLVKDONJSA-N -2 3 386.455 0.521 20 0 GCADHL CN1C(=O)CN([N-]C(=O)c2ccc(COc3ccc(-c4nn[n-]n4)cc3)o2)C1=O ZINC000826010248 947401462 /nfs/dbraw/zinc/40/14/62/947401462.db2.gz FTBBPDOZSHPXAM-UHFFFAOYSA-N -2 3 397.351 0.578 20 0 GCADHL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C)n1 ZINC000826163709 947515595 /nfs/dbraw/zinc/51/55/95/947515595.db2.gz HRKGHZLKIPGQOE-UHFFFAOYSA-N -2 3 391.413 0.137 20 0 GCADHL COCCn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C)n1 ZINC000826163709 947515602 /nfs/dbraw/zinc/51/56/02/947515602.db2.gz HRKGHZLKIPGQOE-UHFFFAOYSA-N -2 3 391.413 0.137 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1-c1nnn[n-]1 ZINC000826322544 947943114 /nfs/dbraw/zinc/94/31/14/947943114.db2.gz REDBWVULRCHEQM-UHFFFAOYSA-N -2 3 377.386 0.860 20 0 GCADHL O=C(COc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826419486 948263974 /nfs/dbraw/zinc/26/39/74/948263974.db2.gz ZMNRPMNKFOEHKP-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)c1ccnc(Cl)c1 ZINC000826419486 948263981 /nfs/dbraw/zinc/26/39/81/948263981.db2.gz ZMNRPMNKFOEHKP-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902873 950266823 /nfs/dbraw/zinc/26/68/23/950266823.db2.gz XOKCUPJFHJPHPS-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902873 950266845 /nfs/dbraw/zinc/26/68/45/950266845.db2.gz XOKCUPJFHJPHPS-MNOVXSKESA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575902874 950267850 /nfs/dbraw/zinc/26/78/50/950267850.db2.gz XOKCUPJFHJPHPS-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575902874 950267867 /nfs/dbraw/zinc/26/78/67/950267867.db2.gz XOKCUPJFHJPHPS-QWRGUYRKSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H](C[C@@H](C)NC(=O)c1ncccc1[O-])NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001574529993 950965544 /nfs/dbraw/zinc/96/55/44/950965544.db2.gz SEBZEMAIFDMVJH-NXEZZACHSA-N -2 3 384.400 0.622 20 0 GCADHL C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153183 952206947 /nfs/dbraw/zinc/20/69/47/952206947.db2.gz DTPOZRRCBVHZLC-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001575153183 952206955 /nfs/dbraw/zinc/20/69/55/952206955.db2.gz DTPOZRRCBVHZLC-KRWDZBQOSA-N -2 3 381.400 0.768 20 0 GCADHL C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571171048 952790345 /nfs/dbraw/zinc/79/03/45/952790345.db2.gz MLUCFEBIIUUYNS-WDEREUQCSA-N -2 3 381.400 0.545 20 0 GCADHL C[C@H]1CC[C@@H](NC(=O)c2ncccc2[O-])CN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571171048 952790348 /nfs/dbraw/zinc/79/03/48/952790348.db2.gz MLUCFEBIIUUYNS-WDEREUQCSA-N -2 3 381.400 0.545 20 0 GCADHL O=C([N-]Cc1ccc(C(=O)Nc2ccncc2-c2nnn[n-]2)o1)C(F)(F)F ZINC001571171484 952794050 /nfs/dbraw/zinc/79/40/50/952794050.db2.gz ACCFJUGGGNPSJC-UHFFFAOYSA-N -2 3 381.274 0.707 20 0 GCADHL O=C([N-]Cc1ccc(C(=O)Nc2ccncc2-c2nn[n-]n2)o1)C(F)(F)F ZINC001571171484 952794054 /nfs/dbraw/zinc/79/40/54/952794054.db2.gz ACCFJUGGGNPSJC-UHFFFAOYSA-N -2 3 381.274 0.707 20 0 GCADHL O=C(N[C@@H]1CCC[C@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001571176152 952829249 /nfs/dbraw/zinc/82/92/49/952829249.db2.gz MSTBBXXUILJDBJ-WDEREUQCSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001571176152 952829251 /nfs/dbraw/zinc/82/92/51/952829251.db2.gz MSTBBXXUILJDBJ-WDEREUQCSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)c1ncccc1[O-] ZINC001571176568 952833143 /nfs/dbraw/zinc/83/31/43/952833143.db2.gz UYWWCNCMTBPOBJ-LLVKDONJSA-N -2 3 381.400 0.404 20 0 GCADHL C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001571194893 952969425 /nfs/dbraw/zinc/96/94/25/952969425.db2.gz VELOJIGBWFYEEE-BXKDBHETSA-N -2 3 382.384 0.186 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CN(c3ccc(-c4nnn[n-]4)nc3)CC2(C)C)c1[O-] ZINC001571226491 953156328 /nfs/dbraw/zinc/15/63/28/953156328.db2.gz SEBGCJGPKONLLL-LBPRGKRZSA-N -2 3 383.416 0.644 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)CC2(C)C)c1[O-] ZINC001571226491 953156331 /nfs/dbraw/zinc/15/63/31/953156331.db2.gz SEBGCJGPKONLLL-LBPRGKRZSA-N -2 3 383.416 0.644 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC001594758718 953491949 /nfs/dbraw/zinc/49/19/49/953491949.db2.gz CDEXDUDUNICCLM-ZKCHVHJHSA-N -2 3 381.863 0.842 20 0 GCADHL O=C([O-])c1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)[nH]n1 ZINC001594758810 953494262 /nfs/dbraw/zinc/49/42/62/953494262.db2.gz JCCKNSGJILHPNP-UHFFFAOYSA-N -2 3 390.780 0.609 20 0 GCADHL O=C([O-])[C@H](c1ccccc1)N1CC[C@@H]([N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000473459688 953523592 /nfs/dbraw/zinc/52/35/92/953523592.db2.gz IJPBASPKQSLRBQ-KGLIPLIRSA-N -2 3 379.394 0.521 20 0 GCADHL CC(C)[C@@H](CNC(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000655875671 954261621 /nfs/dbraw/zinc/26/16/21/954261621.db2.gz IDBCNONNFJBBKU-LLVKDONJSA-N -2 3 393.412 0.899 20 0 GCADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)OCCO ZINC000385623783 972004609 /nfs/dbraw/zinc/00/46/09/972004609.db2.gz PFIFSWXKVQBGHX-UHFFFAOYSA-N -2 3 386.220 0.806 20 0 GCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3nc4c(c(=O)[n-]3)COCC4)CC2)C1 ZINC001594898888 954597723 /nfs/dbraw/zinc/59/77/23/954597723.db2.gz UHZUPUIXZPXRQQ-LLVKDONJSA-N -2 3 376.413 0.152 20 0 GCADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC001594506513 955362695 /nfs/dbraw/zinc/36/26/95/955362695.db2.gz NFTORMCHWMLADQ-LBPRGKRZSA-N -2 3 399.359 0.918 20 0 GCADHL COC(=O)[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001593860512 955532353 /nfs/dbraw/zinc/53/23/53/955532353.db2.gz ULPFFINCIVBJNU-CQSZACIVSA-N -2 3 388.417 0.541 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC001593895637 955823396 /nfs/dbraw/zinc/82/33/96/955823396.db2.gz SYQBPAVRCJPXFR-SNVBAGLBSA-N 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VPTPSKDNYAAMST-UWVGGRQHSA-N -2 3 398.528 0.617 20 0 GCADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC[C@](C)(O)C(=O)[O-] ZINC000262501141 530993653 /nfs/dbraw/zinc/99/36/53/530993653.db2.gz KQDGGTMDWIGBIK-WFASDCNBSA-N -2 3 376.406 0.080 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(CC(=O)[O-])CC(C)(C)C ZINC000659785621 530996784 /nfs/dbraw/zinc/99/67/84/530996784.db2.gz YQFBLSJALSVQER-JTQLQIEISA-N -2 3 375.447 0.918 20 0 GCADHL C[C@H](CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1)C(=O)[O-] ZINC000262405922 530997153 /nfs/dbraw/zinc/99/71/53/530997153.db2.gz RSNOEJYVZKAQIA-SNVBAGLBSA-N -2 3 376.456 0.469 20 0 GCADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-][C@@H]1CCN([C@H](C(=O)[O-])C(C)C)C1=O ZINC000422552842 531013793 /nfs/dbraw/zinc/01/37/93/531013793.db2.gz RUBGHPUIFXJFGU-MCIONIFRSA-N -2 3 378.491 0.677 20 0 GCADHL C[C@H]1CN(C(=O)NCC[N-]S(=O)(=O)c2cccs2)CC[C@H]1C(=O)[O-] ZINC000626759444 531018848 /nfs/dbraw/zinc/01/88/48/531018848.db2.gz ZUPMOHIBWKDSCN-WDEREUQCSA-N -2 3 375.472 0.779 20 0 GCADHL O=C([O-])c1cc(F)c(F)c(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000328057664 531024883 /nfs/dbraw/zinc/02/48/83/531024883.db2.gz KUCVEMXCBZHLCK-GHMZBOCLSA-N -2 3 376.381 0.805 20 0 GCADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C(=O)[O-] ZINC000530339076 531025583 /nfs/dbraw/zinc/02/55/83/531025583.db2.gz HWPGOKTYDMOJTI-MWLCHTKSSA-N -2 3 381.834 0.868 20 0 GCADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1)C(=O)[O-] ZINC000530371214 531026219 /nfs/dbraw/zinc/02/62/19/531026219.db2.gz KONNOSXXCGNYRT-SNVBAGLBSA-N -2 3 391.452 0.354 20 0 GCADHL O=C([O-])CC1(NC(=O)CC[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000663122713 531030143 /nfs/dbraw/zinc/03/01/43/531030143.db2.gz BYQSZVRUFRGXLL-UHFFFAOYSA-N -2 3 376.456 0.557 20 0 GCADHL O=C([O-])[C@@]1(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOC1 ZINC000663134179 531030615 /nfs/dbraw/zinc/03/06/15/531030615.db2.gz XMPHOKMCMGCHFM-CYBMUJFWSA-N -2 3 397.236 0.632 20 0 GCADHL CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000660016610 531001087 /nfs/dbraw/zinc/00/10/87/531001087.db2.gz HTMCFCPUPURFQB-LLVKDONJSA-N -2 3 379.435 0.000 20 0 GCADHL C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000263249192 531001249 /nfs/dbraw/zinc/00/12/49/531001249.db2.gz SOEUVDASGSIKNJ-ZETCQYMHSA-N -2 3 399.288 0.968 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)oc1C(=O)[O-] ZINC000663423463 531033893 /nfs/dbraw/zinc/03/38/93/531033893.db2.gz CCQRSXKFBBOLTB-UHFFFAOYSA-N -2 3 392.455 0.521 20 0 GCADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])c(Br)n1C ZINC000287239519 531003547 /nfs/dbraw/zinc/00/35/47/531003547.db2.gz OQDKQZYMRUUVBP-QMMMGPOBSA-N -2 3 392.235 0.188 20 0 GCADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])c(Br)n1C ZINC000287239519 531003548 /nfs/dbraw/zinc/00/35/48/531003548.db2.gz OQDKQZYMRUUVBP-QMMMGPOBSA-N -2 3 392.235 0.188 20 0 GCADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)C[N-]S(=O)(=O)c2cccs2)c1 ZINC000538951711 531038006 /nfs/dbraw/zinc/03/80/06/531038006.db2.gz SJPDDEVQFQFNCS-UHFFFAOYSA-N -2 3 391.452 0.018 20 0 GCADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1 ZINC000630225500 531050067 /nfs/dbraw/zinc/05/00/67/531050067.db2.gz VWNPGGDELIECQM-NEPJUHHUSA-N -2 3 389.499 0.422 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547871551 531104229 /nfs/dbraw/zinc/10/42/29/531104229.db2.gz PGAWYETWZWCQEH-UHFFFAOYSA-N -2 3 389.842 0.943 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(C(=O)[O-])CCC2)cc1F ZINC000514956783 531085154 /nfs/dbraw/zinc/08/51/54/531085154.db2.gz RNGKWMNLRWQXGB-UHFFFAOYSA-N -2 3 380.419 0.730 20 0 GCADHL Cn1cc(Br)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)n1 ZINC000432680332 531091632 /nfs/dbraw/zinc/09/16/32/531091632.db2.gz UKTFZJMGWSCPPU-UHFFFAOYSA-N -2 3 381.237 0.658 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CC(=O)[O-])C2)cc1F ZINC000516529401 531096611 /nfs/dbraw/zinc/09/66/11/531096611.db2.gz PJAOISAESOJWHE-SECBINFHSA-N -2 3 380.419 0.683 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cnn(C)c2)C(=O)[O-])s1 ZINC000547885361 531104923 /nfs/dbraw/zinc/10/49/23/531104923.db2.gz GLLHYBMUNAUBFZ-SNVBAGLBSA-N -2 3 387.439 0.490 20 0 GCADHL NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000547548759 531098494 /nfs/dbraw/zinc/09/84/94/531098494.db2.gz RFWLOICUGNMXIV-QMMMGPOBSA-N -2 3 385.623 0.709 20 0 GCADHL COCC[C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-] ZINC000547553719 531098632 /nfs/dbraw/zinc/09/86/32/531098632.db2.gz WMHBVKKGRWSWFX-JTQLQIEISA-N -2 3 376.818 0.993 20 0 GCADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(=O)[O-] ZINC000547558294 531099337 /nfs/dbraw/zinc/09/93/37/531099337.db2.gz WAMHDUVUSKZZKN-QMMMGPOBSA-N -3 3 387.391 0.894 20 0 GCADHL Cn1cc(C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])cn1 ZINC000547564778 531099413 /nfs/dbraw/zinc/09/94/13/531099413.db2.gz FETJIVDVBLSYRP-NSHDSACASA-N -2 3 388.789 0.956 20 0 GCADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547613799 531101317 /nfs/dbraw/zinc/10/13/17/531101317.db2.gz SBSULVAQHXOJKB-VIFPVBQESA-N -2 3 376.774 0.875 20 0 GCADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC(=O)[O-])cc1F ZINC000547609011 531101751 /nfs/dbraw/zinc/10/17/51/531101751.db2.gz ODFUKRBXFGBXDA-UHFFFAOYSA-N -2 3 398.434 0.355 20 0 GCADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000547617924 531101911 /nfs/dbraw/zinc/10/19/11/531101911.db2.gz QFYKESVIBDFDIL-LDYMZIIASA-N -2 3 378.790 0.667 20 0 GCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000547963360 531107797 /nfs/dbraw/zinc/10/77/97/531107797.db2.gz CRHRLKNRBBSYCR-ONGXEEELSA-N -2 3 379.818 0.479 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000548213939 531111181 /nfs/dbraw/zinc/11/11/81/531111181.db2.gz FFWSQTFUTFMIQC-VIFPVBQESA-N -2 3 380.216 0.762 20 0 GCADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)[O-] ZINC000548212118 531111210 /nfs/dbraw/zinc/11/12/10/531111210.db2.gz ILAORJHZZCJXPZ-LBPRGKRZSA-N -2 3 392.499 0.831 20 0 GCADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])CN2CCOCC2)s1 ZINC000548215597 531112208 /nfs/dbraw/zinc/11/22/08/531112208.db2.gz HOOBRXOCFUXWFG-LLVKDONJSA-N -2 3 377.488 0.549 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c(C(=O)OC)s1 ZINC000548242972 531112478 /nfs/dbraw/zinc/11/24/78/531112478.db2.gz YOTJKBHEXWWCQO-SNVBAGLBSA-N -2 3 391.423 0.853 20 0 GCADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)[O-] ZINC000548230443 531112532 /nfs/dbraw/zinc/11/25/32/531112532.db2.gz YPWGTIPWPVWOAQ-GFCCVEGCSA-N -2 3 376.456 0.527 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(F)c1 ZINC000548235244 531112580 /nfs/dbraw/zinc/11/25/80/531112580.db2.gz YVKCIIDTWIPERK-LBPRGKRZSA-N -3 3 380.419 0.729 20 0 GCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000548260369 531113748 /nfs/dbraw/zinc/11/37/48/531113748.db2.gz VWGXKHLOVBZCQE-JTQLQIEISA-N -3 3 382.435 0.832 20 0 GCADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000548264125 531113773 /nfs/dbraw/zinc/11/37/73/531113773.db2.gz OIPWTCHGMBOPRW-CQSZACIVSA-N -3 3 377.346 0.456 20 0 GCADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)c1 ZINC000548529952 531118027 /nfs/dbraw/zinc/11/80/27/531118027.db2.gz OFOASTRWERNMSW-ZANVPECISA-N -2 3 375.374 0.770 20 0 GCADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000548544133 531118529 /nfs/dbraw/zinc/11/85/29/531118529.db2.gz TWEZRHCQVPNEIP-SECBINFHSA-N -3 3 382.435 0.976 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](COC)C(=O)[O-])cc1 ZINC000548540510 531118629 /nfs/dbraw/zinc/11/86/29/531118629.db2.gz QBIVNGCYZCDURD-ZDUSSCGKSA-N -2 3 394.471 0.606 20 0 GCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)[C@H]1CCOC1 ZINC000548538240 531118715 /nfs/dbraw/zinc/11/87/15/531118715.db2.gz FUMMVSUHZZURFD-XPTSAGLGSA-N -2 3 388.829 0.993 20 0 GCADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000548591542 531120380 /nfs/dbraw/zinc/12/03/80/531120380.db2.gz BEMWTLULFBLWQN-UHFFFAOYSA-N -2 3 386.195 0.976 20 0 GCADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-])C1CC1 ZINC000548993097 531124829 /nfs/dbraw/zinc/12/48/29/531124829.db2.gz XWEIQPMEOCXPGN-XLKFXECMSA-N -2 3 390.845 0.982 20 0 GCADHL Cc1nccnc1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000549531372 531127627 /nfs/dbraw/zinc/12/76/27/531127627.db2.gz HGKFYQUCSXPQAK-UHFFFAOYSA-N -2 3 388.446 0.817 20 0 GCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000433640658 531131200 /nfs/dbraw/zinc/13/12/00/531131200.db2.gz AWJVNBRPMODHLC-ZETCQYMHSA-N -2 3 378.407 0.928 20 0 GCADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cnnn2-c2cccc(F)c2)s1 ZINC000436423162 531145896 /nfs/dbraw/zinc/14/58/96/531145896.db2.gz QJKUSURTVJNOIT-UHFFFAOYSA-N -2 3 383.390 0.882 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nncn1C ZINC000439207351 531159730 /nfs/dbraw/zinc/15/97/30/531159730.db2.gz TXCPVSUTFQBYEZ-SECBINFHSA-N -2 3 391.450 0.408 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])[C@@H]1CC ZINC000554416981 531162063 /nfs/dbraw/zinc/16/20/63/531162063.db2.gz PYKCWSLHLUPSAM-RYUDHWBXSA-N -2 3 390.483 0.859 20 0 GCADHL C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)[N-]C2CC2)[C@@H]1C(=O)[O-] ZINC000555374538 531169012 /nfs/dbraw/zinc/16/90/12/531169012.db2.gz LSDRFLJXAWZOFD-HZMBPMFUSA-N -2 3 388.467 0.611 20 0 GCADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C3CC3)CC2)c1 ZINC000564918013 531177108 /nfs/dbraw/zinc/17/71/08/531177108.db2.gz HHCJOGYZIQPDRW-UHFFFAOYSA-N -2 3 394.496 0.681 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)[C@@H](C)C(=O)[O-] ZINC000565818666 531190928 /nfs/dbraw/zinc/19/09/28/531190928.db2.gz WYJVQJYHMMFDNX-VXGBXAGGSA-N -2 3 390.483 0.859 20 0 GCADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)s1 ZINC000565865052 531191770 /nfs/dbraw/zinc/19/17/70/531191770.db2.gz GBXQFLXUTCPUEG-UHFFFAOYSA-N -2 3 384.439 0.393 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000736932925 598843275 /nfs/dbraw/zinc/84/32/75/598843275.db2.gz XNDHTXGNLAZGGO-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736932925 598843278 /nfs/dbraw/zinc/84/32/78/598843278.db2.gz XNDHTXGNLAZGGO-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737915862 598856262 /nfs/dbraw/zinc/85/62/62/598856262.db2.gz JCMMBBKAWNZYPH-ZDUSSCGKSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@@H]1CCCO1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737915862 598856263 /nfs/dbraw/zinc/85/62/63/598856263.db2.gz JCMMBBKAWNZYPH-ZDUSSCGKSA-N -2 3 381.414 0.008 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)[N-]S(=O)(=O)CC1CC1 ZINC000737033812 598857515 /nfs/dbraw/zinc/85/75/15/598857515.db2.gz UFXXEQYWAGGSIQ-UHFFFAOYSA-N -2 3 395.441 0.890 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)[N-]S(=O)(=O)CC1CC1 ZINC000737033812 598857516 /nfs/dbraw/zinc/85/75/16/598857516.db2.gz UFXXEQYWAGGSIQ-UHFFFAOYSA-N -2 3 395.441 0.890 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000736932874 598931392 /nfs/dbraw/zinc/93/13/92/598931392.db2.gz VVLYRYZZLGDDCG-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000736932874 598931393 /nfs/dbraw/zinc/93/13/93/598931393.db2.gz VVLYRYZZLGDDCG-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC000736932388 598948439 /nfs/dbraw/zinc/94/84/39/598948439.db2.gz LMDAVTRUKOFWGK-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC000736932388 598948441 /nfs/dbraw/zinc/94/84/41/598948441.db2.gz LMDAVTRUKOFWGK-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000737225681 598948637 /nfs/dbraw/zinc/94/86/37/598948637.db2.gz GMWBOKKSLMNJKC-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000737225681 598948639 /nfs/dbraw/zinc/94/86/39/598948639.db2.gz GMWBOKKSLMNJKC-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cn1C ZINC000821634978 607255507 /nfs/dbraw/zinc/25/55/07/607255507.db2.gz DZXDMPZERUDYPS-UHFFFAOYSA-N -2 3 375.414 0.674 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000737297533 598975610 /nfs/dbraw/zinc/97/56/10/598975610.db2.gz AZBDHPFLVJSKBN-UHFFFAOYSA-N -2 3 382.427 0.149 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CN1CCSC1=O ZINC000737297533 598975611 /nfs/dbraw/zinc/97/56/11/598975611.db2.gz AZBDHPFLVJSKBN-UHFFFAOYSA-N -2 3 382.427 0.149 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000737299555 598976164 /nfs/dbraw/zinc/97/61/64/598976164.db2.gz RTPZGCWNWYSFCW-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2nncn2c1 ZINC000737299555 598976167 /nfs/dbraw/zinc/97/61/67/598976167.db2.gz RTPZGCWNWYSFCW-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000737299506 598976370 /nfs/dbraw/zinc/97/63/70/598976370.db2.gz QYHVPZGXXKXQCH-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cnn2cccnc12 ZINC000737299506 598976373 /nfs/dbraw/zinc/97/63/73/598976373.db2.gz QYHVPZGXXKXQCH-UHFFFAOYSA-N -2 3 384.381 0.337 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)nn1C ZINC000737023087 598974355 /nfs/dbraw/zinc/97/43/55/598974355.db2.gz JBFRKLIKCSZOFO-UHFFFAOYSA-N -2 3 391.413 0.344 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)nn1C ZINC000737023087 598974357 /nfs/dbraw/zinc/97/43/57/598974357.db2.gz JBFRKLIKCSZOFO-UHFFFAOYSA-N -2 3 391.413 0.344 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000737300464 598977021 /nfs/dbraw/zinc/97/70/21/598977021.db2.gz YOPJWQBZHCJWHQ-UHFFFAOYSA-N -2 3 375.414 0.657 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCn1cccn1 ZINC000737300464 598977023 /nfs/dbraw/zinc/97/70/23/598977023.db2.gz YOPJWQBZHCJWHQ-UHFFFAOYSA-N -2 3 375.414 0.657 20 0 GCADHL O=C(C[C@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737811435 599026320 /nfs/dbraw/zinc/02/63/20/599026320.db2.gz BIANSOQJQRIUBX-CYBMUJFWSA-N -2 3 398.404 0.798 20 0 GCADHL O=C(C[C@H]1C(=O)Nc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737811435 599026321 /nfs/dbraw/zinc/02/63/21/599026321.db2.gz BIANSOQJQRIUBX-CYBMUJFWSA-N -2 3 398.404 0.798 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000821663988 599233373 /nfs/dbraw/zinc/23/33/73/599233373.db2.gz XQWNRWKVCBVBPK-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000821663988 599233375 /nfs/dbraw/zinc/23/33/75/599233375.db2.gz XQWNRWKVCBVBPK-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000821933213 599234370 /nfs/dbraw/zinc/23/43/70/599234370.db2.gz XPODAAJCOLMWOT-UHFFFAOYSA-N -2 3 394.438 0.607 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736186322 598306614 /nfs/dbraw/zinc/30/66/14/598306614.db2.gz YRJFGDVGKJVCNM-NWDGAFQWSA-N -2 3 395.441 0.649 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000736186322 598306616 /nfs/dbraw/zinc/30/66/16/598306616.db2.gz YRJFGDVGKJVCNM-NWDGAFQWSA-N -2 3 395.441 0.649 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736730849 598307103 /nfs/dbraw/zinc/30/71/03/598307103.db2.gz IKYNOHMEBKMHMW-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL CCn1nc(C)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736730849 598307104 /nfs/dbraw/zinc/30/71/04/598307104.db2.gz IKYNOHMEBKMHMW-UHFFFAOYSA-N -2 3 375.414 0.651 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738140907 598332050 /nfs/dbraw/zinc/33/20/50/598332050.db2.gz ZCTXZIWYPBKIQH-UHFFFAOYSA-N -2 3 384.421 0.900 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738140907 598332052 /nfs/dbraw/zinc/33/20/52/598332052.db2.gz ZCTXZIWYPBKIQH-UHFFFAOYSA-N -2 3 384.421 0.900 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737838201 598332299 /nfs/dbraw/zinc/33/22/99/598332299.db2.gz YJGQNGGFHRBYEG-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL O=C(CCCn1cccn1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737838201 598332301 /nfs/dbraw/zinc/33/23/01/598332301.db2.gz YJGQNGGFHRBYEG-UHFFFAOYSA-N -2 3 375.414 0.490 20 0 GCADHL CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1=O ZINC000736848208 598414455 /nfs/dbraw/zinc/41/44/55/598414455.db2.gz KKCPZEKMCDXRCQ-QMMMGPOBSA-N -2 3 398.832 0.193 20 0 GCADHL CN1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1=O ZINC000736848208 598414457 /nfs/dbraw/zinc/41/44/57/598414457.db2.gz KKCPZEKMCDXRCQ-QMMMGPOBSA-N -2 3 398.832 0.193 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000737980206 598432015 /nfs/dbraw/zinc/43/20/15/598432015.db2.gz AKFXAWIATLIBCX-UHFFFAOYSA-N -2 3 391.351 0.247 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000737980206 598432017 /nfs/dbraw/zinc/43/20/17/598432017.db2.gz AKFXAWIATLIBCX-UHFFFAOYSA-N -2 3 391.351 0.247 20 0 GCADHL Cc1nc(S(=O)(=O)[N-]c2ccccc2-n2ncc(-c3nnn[n-]3)c2N)c[nH]1 ZINC000737502915 598450443 /nfs/dbraw/zinc/45/04/43/598450443.db2.gz ZWMVWAVOAOVJLJ-UHFFFAOYSA-N -2 3 386.401 0.467 20 0 GCADHL Cc1nc(S(=O)(=O)[N-]c2ccccc2-n2ncc(-c3nn[n-]n3)c2N)c[nH]1 ZINC000737502915 598450445 /nfs/dbraw/zinc/45/04/45/598450445.db2.gz ZWMVWAVOAOVJLJ-UHFFFAOYSA-N -2 3 386.401 0.467 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736938093 598516460 /nfs/dbraw/zinc/51/64/60/598516460.db2.gz ZONDUBICVZDGGB-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736938093 598516461 /nfs/dbraw/zinc/51/64/61/598516461.db2.gz ZONDUBICVZDGGB-GFCCVEGCSA-N -2 3 396.429 0.193 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736934735 598543349 /nfs/dbraw/zinc/54/33/49/598543349.db2.gz CJZFEHQMQWPHGE-NSHDSACASA-N -2 3 382.402 0.052 20 0 GCADHL COC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736934735 598543351 /nfs/dbraw/zinc/54/33/51/598543351.db2.gz CJZFEHQMQWPHGE-NSHDSACASA-N -2 3 382.402 0.052 20 0 GCADHL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000737025105 598566835 /nfs/dbraw/zinc/56/68/35/598566835.db2.gz WITBVNFDTJEBKM-UHFFFAOYSA-N -2 3 389.397 0.696 20 0 GCADHL CON(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000737025105 598566837 /nfs/dbraw/zinc/56/68/37/598566837.db2.gz WITBVNFDTJEBKM-UHFFFAOYSA-N -2 3 389.397 0.696 20 0 GCADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737174683 598637583 /nfs/dbraw/zinc/63/75/83/598637583.db2.gz XRRITAROKXZADH-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cn1 ZINC000737172154 598637604 /nfs/dbraw/zinc/63/76/04/598637604.db2.gz GYDPIOKCIRWOPM-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000737172154 598637606 /nfs/dbraw/zinc/63/76/06/598637606.db2.gz GYDPIOKCIRWOPM-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C(N)=O ZINC000737114072 598637707 /nfs/dbraw/zinc/63/77/07/598637707.db2.gz CRJNCGJTNULDTQ-UHFFFAOYSA-N -2 3 375.370 0.170 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000735465004 598798797 /nfs/dbraw/zinc/79/87/97/598798797.db2.gz FPGORLGMWVEILR-GFCCVEGCSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000735465004 598798798 /nfs/dbraw/zinc/79/87/98/598798798.db2.gz FPGORLGMWVEILR-GFCCVEGCSA-N -2 3 392.441 0.071 20 0 GCADHL COc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1-n1cnnn1 ZINC000821839796 599303735 /nfs/dbraw/zinc/30/37/35/599303735.db2.gz YSJRWSUTTMKKME-UHFFFAOYSA-N -2 3 399.396 0.652 20 0 GCADHL O=C([O-])Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000739913115 599740812 /nfs/dbraw/zinc/74/08/12/599740812.db2.gz KKTBIJYDHCLZIB-UHFFFAOYSA-N -2 3 378.819 0.600 20 0 GCADHL O=C([O-])[C@@H](CO)NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000739249628 599744963 /nfs/dbraw/zinc/74/49/63/599744963.db2.gz YSXLPFMTWMHMSH-SECBINFHSA-N -2 3 385.225 0.224 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000740175293 599769354 /nfs/dbraw/zinc/76/93/54/599769354.db2.gz LYVDPHAXMTUFKH-UHFFFAOYSA-N -2 3 399.425 0.901 20 0 GCADHL CS(=O)(=O)NC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCCC1 ZINC000738158015 599769828 /nfs/dbraw/zinc/76/98/28/599769828.db2.gz OJEOZHIETZEQGZ-UHFFFAOYSA-N -2 3 380.444 0.508 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@]2(N3CCOCC3)CCSC2)o1 ZINC000740175285 599773740 /nfs/dbraw/zinc/77/37/40/599773740.db2.gz LMKHQVRIGNGUMN-AWEZNQCLSA-N -2 3 376.456 0.464 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(=O)N2CCN(c3ccccc3)CC2)o1 ZINC000740175054 599776010 /nfs/dbraw/zinc/77/60/10/599776010.db2.gz CNMWNORXXOMFAD-UHFFFAOYSA-N -2 3 393.421 0.605 20 0 GCADHL COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000737747410 599874297 /nfs/dbraw/zinc/87/42/97/599874297.db2.gz MQZIEFJUWBZZTM-JTQLQIEISA-N -2 3 380.444 0.216 20 0 GCADHL O=C([O-])[C@@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CCO1 ZINC000738547968 599887183 /nfs/dbraw/zinc/88/71/83/599887183.db2.gz KFJJFKMEYPSFOC-JTQLQIEISA-N -2 3 390.364 0.331 20 0 GCADHL O=C([O-])CSCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000739862915 599888133 /nfs/dbraw/zinc/88/81/33/599888133.db2.gz LKIJVHABGPAJQA-UHFFFAOYSA-N -2 3 376.431 0.814 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1F ZINC000736262195 599942267 /nfs/dbraw/zinc/94/22/67/599942267.db2.gz GGBSPMDSRGMZEC-GFCCVEGCSA-N -2 3 388.417 0.828 20 0 GCADHL CCN(CC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000737069974 600026050 /nfs/dbraw/zinc/02/60/50/600026050.db2.gz FQWKOFJUEMHJGV-UHFFFAOYSA-N -2 3 385.261 0.722 20 0 GCADHL Cc1cc(NC(=O)C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1C(=O)[O-] ZINC000738416098 600047165 /nfs/dbraw/zinc/04/71/65/600047165.db2.gz PRHBZCBIENKHII-UHFFFAOYSA-N -2 3 385.376 0.884 20 0 GCADHL O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000738620037 600053254 /nfs/dbraw/zinc/05/32/54/600053254.db2.gz VIPGAZIHPCFVLB-UHFFFAOYSA-N -3 3 376.346 0.834 20 0 GCADHL COc1ccc(-c2nn[n-]n2)cc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000821745231 607416797 /nfs/dbraw/zinc/41/67/97/607416797.db2.gz LCDGYUIGKHGULE-UHFFFAOYSA-N -2 3 382.340 0.003 20 0 GCADHL O=C([O-])/C=C1\SCC(=O)N1CCCOC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739623905 600165007 /nfs/dbraw/zinc/16/50/07/600165007.db2.gz HFCBZDVYHKULLM-ZSOIEALJSA-N -2 3 394.405 0.557 20 0 GCADHL COC(=O)[C@H](CC(=O)[O-])NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000737562751 600244753 /nfs/dbraw/zinc/24/47/53/600244753.db2.gz BHWVNEZSYJOINU-ZDUSSCGKSA-N -2 3 388.380 0.205 20 0 GCADHL C[S@@](=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738180001 600264302 /nfs/dbraw/zinc/26/43/02/600264302.db2.gz QEWYZJUJBAIFEX-LJQANCHMSA-N -2 3 388.236 0.943 20 0 GCADHL O=C([O-])[C@H]1CC12CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000739523472 600268332 /nfs/dbraw/zinc/26/83/32/600268332.db2.gz BSYFFLALHFZYKK-MRVPVSSYSA-N -2 3 386.202 0.425 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000737226426 600310054 /nfs/dbraw/zinc/31/00/54/600310054.db2.gz MBLAUAZUPSRXBR-JTQLQIEISA-N -2 3 399.425 0.328 20 0 GCADHL O=C([O-])Cc1nc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)n[nH]1 ZINC000739910491 600535661 /nfs/dbraw/zinc/53/56/61/600535661.db2.gz OWTSSYGCGHPUTK-UHFFFAOYSA-N -2 3 383.361 0.264 20 0 GCADHL COCCN(CCC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000737798305 600618719 /nfs/dbraw/zinc/61/87/19/600618719.db2.gz FKQMVISJKCMXIE-UHFFFAOYSA-N -2 3 388.417 0.830 20 0 GCADHL CN(C)C(=O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737350226 600632787 /nfs/dbraw/zinc/63/27/87/600632787.db2.gz OTNNVZYDRVYTKZ-UHFFFAOYSA-N -2 3 383.195 0.653 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(F)cc1Br ZINC000740086843 600634208 /nfs/dbraw/zinc/63/42/08/600634208.db2.gz ARLNDDVGVXSEDN-SSDOTTSWSA-N -2 3 398.206 0.980 20 0 GCADHL Cc1cc(COC(=O)c2ccc(S(=O)(=O)[N-]CCO)s2)oc1C(=O)[O-] ZINC000832885995 600687950 /nfs/dbraw/zinc/68/79/50/600687950.db2.gz UVYVBDQOIKYETQ-UHFFFAOYSA-N -2 3 389.407 0.975 20 0 GCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)C(=O)N1c1cnn(C)c1 ZINC000828183380 600798495 /nfs/dbraw/zinc/79/84/95/600798495.db2.gz HEZZGPUTJQORAI-XHDPSFHLSA-N -2 3 392.437 0.732 20 0 GCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)C(=O)N1c1cnn(C)c1 ZINC000828184114 600798590 /nfs/dbraw/zinc/79/85/90/600798590.db2.gz NTZLWCZLXKKMIP-IAQYHMDHSA-N -2 3 392.437 0.732 20 0 GCADHL Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)C2=O)n(C)n1 ZINC000832890953 600988297 /nfs/dbraw/zinc/98/82/97/600988297.db2.gz IPSQTCROERXIIF-SNVBAGLBSA-N -2 3 382.398 0.494 20 0 GCADHL CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821277558 607494728 /nfs/dbraw/zinc/49/47/28/607494728.db2.gz VZEPFEOTKWXABY-UHFFFAOYSA-N -2 3 388.400 0.586 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccn(C)n3)C2=O)cc1C(=O)[O-] ZINC000833027602 601223377 /nfs/dbraw/zinc/22/33/77/601223377.db2.gz HSGKIEZAIPMBTK-LLVKDONJSA-N -2 3 382.398 0.494 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000820831970 607496088 /nfs/dbraw/zinc/49/60/88/607496088.db2.gz FODGTNDOEDUMAQ-NSHDSACASA-N -2 3 392.441 0.071 20 0 GCADHL CCC(=O)N1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000820831970 607496090 /nfs/dbraw/zinc/49/60/90/607496090.db2.gz FODGTNDOEDUMAQ-NSHDSACASA-N -2 3 392.441 0.071 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@H]3CO2)c1F ZINC000327237568 601233383 /nfs/dbraw/zinc/23/33/83/601233383.db2.gz LNDVKPZZVZFTBY-UWVGGRQHSA-N -2 3 376.381 0.805 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)c(C)o1 ZINC000831033763 601358183 /nfs/dbraw/zinc/35/81/83/601358183.db2.gz DQCPMFLUWDIMAE-UHFFFAOYSA-N -2 3 396.377 0.990 20 0 GCADHL O=C([O-])Cc1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000819592496 601469104 /nfs/dbraw/zinc/46/91/04/601469104.db2.gz XGDWURFRKMDAET-UHFFFAOYSA-N -2 3 385.376 0.504 20 0 GCADHL CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1=O ZINC000826956231 601519935 /nfs/dbraw/zinc/51/99/35/601519935.db2.gz IPERJIMAQNZIOU-QMMMGPOBSA-N -2 3 376.337 0.477 20 0 GCADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000832992909 601738749 /nfs/dbraw/zinc/73/87/49/601738749.db2.gz BUYVLXIDSDGRCU-AWEZNQCLSA-N -2 3 386.408 0.775 20 0 GCADHL O=C([O-])[C@@]1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCOC1 ZINC000537369109 601767006 /nfs/dbraw/zinc/76/70/06/601767006.db2.gz QEOHXTAJGSFVQG-MRXNPFEDSA-N -2 3 397.384 0.928 20 0 GCADHL COC(=O)c1ccsc1N1CC[C@@H]([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C1=O ZINC000831462243 601797800 /nfs/dbraw/zinc/79/78/00/601797800.db2.gz WJHFNKWBFCLHLC-PSASIEDQSA-N -2 3 390.439 0.280 20 0 GCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cnn(C2CCOCC2)c1 ZINC000826493669 607533259 /nfs/dbraw/zinc/53/32/59/607533259.db2.gz WTHWYQWOXCDTHF-UHFFFAOYSA-N -2 3 382.431 0.672 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)c1-c1nnn[n-]1 ZINC000826303981 607536351 /nfs/dbraw/zinc/53/63/51/607536351.db2.gz PRAWSLHXOUHJQT-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2-n2cncn2)c1-c1nn[n-]n1 ZINC000826303981 607536352 /nfs/dbraw/zinc/53/63/52/607536352.db2.gz PRAWSLHXOUHJQT-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL C[C@H](CC(=O)N(C)C[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000817869605 602158813 /nfs/dbraw/zinc/15/88/13/602158813.db2.gz JMGIVIKVLHVRPG-NXEZZACHSA-N -2 3 377.850 0.971 20 0 GCADHL C[C@H](CN(C)C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000817869608 602159547 /nfs/dbraw/zinc/15/95/47/602159547.db2.gz JMGIVIKVLHVRPG-ZJUUUORDSA-N -2 3 377.850 0.971 20 0 GCADHL C[C@@H](CC(=O)N1CC[C@@](F)(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827225920 602190724 /nfs/dbraw/zinc/19/07/24/602190724.db2.gz GBNMAQXSBLBOJL-XPTSAGLGSA-N -2 3 393.824 0.817 20 0 GCADHL C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000823846007 602192208 /nfs/dbraw/zinc/19/22/08/602192208.db2.gz FZQNVUJSILEDTR-VHSXEESVSA-N -2 3 391.833 0.104 20 0 GCADHL C[C@H](CC(=O)N(CC(=O)[O-])C1CC1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000827217969 602193463 /nfs/dbraw/zinc/19/34/63/602193463.db2.gz LOWHQTWFJUTJSH-SECBINFHSA-N -2 3 375.834 0.868 20 0 GCADHL CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829161712 602212769 /nfs/dbraw/zinc/21/27/69/602212769.db2.gz PNQGMQBVMBDOPU-CMPLNLGQSA-N -2 3 394.471 0.625 20 0 GCADHL CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000829162697 602212788 /nfs/dbraw/zinc/21/27/88/602212788.db2.gz SQMQGTPOCBMIBQ-VHSXEESVSA-N -2 3 380.444 0.316 20 0 GCADHL CC(C)COC[C@@H](O)C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824271948 607626184 /nfs/dbraw/zinc/62/61/84/607626184.db2.gz SAFJZTPOFCRTQR-JTQLQIEISA-N -2 3 391.400 0.457 20 0 GCADHL O=S(=O)([N-]CC[C@@H](O)C(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490993 607639214 /nfs/dbraw/zinc/63/92/14/607639214.db2.gz PPDOWUOLRIZDSE-MRVPVSSYSA-N -2 3 387.290 0.737 20 0 GCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cnn([C@H]2CCOC2)c1 ZINC000826492412 607683467 /nfs/dbraw/zinc/68/34/67/607683467.db2.gz JFTBUWZERHNVIT-JTQLQIEISA-N -2 3 377.386 0.531 20 0 GCADHL CC(C)(C)n1ncc2c1nc(N[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[nH]c2=O ZINC000826529669 604397824 /nfs/dbraw/zinc/39/78/24/604397824.db2.gz VBTACPRBGAIRTO-UHFFFAOYSA-N -2 3 396.385 0.884 20 0 GCADHL C[C@H](OC(=O)[C@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000827810514 604432964 /nfs/dbraw/zinc/43/29/64/604432964.db2.gz NVFFMSJSTHUEII-JQWIXIFHSA-N -2 3 392.474 0.205 20 0 GCADHL COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000831072379 604473274 /nfs/dbraw/zinc/47/32/74/604473274.db2.gz KAQSHRQYEGRCKQ-QMMMGPOBSA-N -2 3 384.179 0.883 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000833022891 604886026 /nfs/dbraw/zinc/88/60/26/604886026.db2.gz KSMMFEUKZJSGAC-CYBMUJFWSA-N -2 3 381.410 0.902 20 0 GCADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000833482065 604898500 /nfs/dbraw/zinc/89/85/00/604898500.db2.gz AXTBURJXHQCPQT-SECBINFHSA-N -2 3 395.401 0.947 20 0 GCADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1nc(-c2nc[nH]n2)no1 ZINC000833423930 605003819 /nfs/dbraw/zinc/00/38/19/605003819.db2.gz FBASUZLPWHHJJX-SECBINFHSA-N -2 3 395.401 0.947 20 0 GCADHL O=C([O-])CCOc1ccc(S(=O)(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000833774995 605009466 /nfs/dbraw/zinc/00/94/66/605009466.db2.gz QVFUZIIBPQRWQO-UHFFFAOYSA-N -2 3 379.394 0.783 20 0 GCADHL C[C@H]1C[C@H]([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])C(=O)N1c1cnn(C)c1 ZINC000833597411 605041124 /nfs/dbraw/zinc/04/11/24/605041124.db2.gz LNEFHGCMXFMZMH-NHYWBVRUSA-N -2 3 392.437 0.732 20 0 GCADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826404885 607776795 /nfs/dbraw/zinc/77/67/95/607776795.db2.gz PAZDPUUSMZOQGN-JTQLQIEISA-N -2 3 385.496 0.910 20 0 GCADHL O=C(C[C@H]1CSCCS1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826404885 607776796 /nfs/dbraw/zinc/77/67/96/607776796.db2.gz PAZDPUUSMZOQGN-JTQLQIEISA-N -2 3 385.496 0.910 20 0 GCADHL Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000833742373 605163607 /nfs/dbraw/zinc/16/36/07/605163607.db2.gz KSAINPGDFQEECT-SNVBAGLBSA-N -3 3 375.385 0.365 20 0 GCADHL Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1=O ZINC000833761022 605269683 /nfs/dbraw/zinc/26/96/83/605269683.db2.gz WPXURRWZEQMEJU-SNVBAGLBSA-N -2 3 382.398 0.181 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000819788245 606133996 /nfs/dbraw/zinc/13/39/96/606133996.db2.gz CSKNFAATJRWGLL-MRXNPFEDSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CC[C@@](C)(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000819788245 606133998 /nfs/dbraw/zinc/13/39/98/606133998.db2.gz CSKNFAATJRWGLL-MRXNPFEDSA-N -2 3 392.441 0.071 20 0 GCADHL O=C(CSc1n[n-]c(=S)s1)NCCNc1ncccc1-c1nnn[n-]1 ZINC000823070625 606136894 /nfs/dbraw/zinc/13/68/94/606136894.db2.gz HTVFCANANSWUHS-UHFFFAOYSA-N -2 3 395.499 0.722 20 0 GCADHL O=C(CSc1n[n-]c(=S)s1)NCCNc1ncccc1-c1nn[n-]n1 ZINC000823070625 606136896 /nfs/dbraw/zinc/13/68/96/606136896.db2.gz HTVFCANANSWUHS-UHFFFAOYSA-N -2 3 395.499 0.722 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000822709275 606156678 /nfs/dbraw/zinc/15/66/78/606156678.db2.gz IWWZKCTVUCFDLN-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000822709275 606156680 /nfs/dbraw/zinc/15/66/80/606156680.db2.gz IWWZKCTVUCFDLN-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nnn[n-]3)cnc21 ZINC000822709967 606156912 /nfs/dbraw/zinc/15/69/12/606156912.db2.gz SRBHDHFOIPVBOZ-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3ccccc3-c3nn[n-]n3)cnc21 ZINC000822709967 606156913 /nfs/dbraw/zinc/15/69/13/606156913.db2.gz SRBHDHFOIPVBOZ-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000820031212 606289567 /nfs/dbraw/zinc/28/95/67/606289567.db2.gz BVMKUAYYSQGZRV-AWEZNQCLSA-N -2 3 386.416 0.843 20 0 GCADHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCCCc1n[nH]c(=O)[n-]1 ZINC000820031212 606289569 /nfs/dbraw/zinc/28/95/69/606289569.db2.gz BVMKUAYYSQGZRV-AWEZNQCLSA-N -2 3 386.416 0.843 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000822660301 606387030 /nfs/dbraw/zinc/38/70/30/606387030.db2.gz VUIGRBSZTGNMQF-UHFFFAOYSA-N -2 3 387.381 0.384 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)OCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000822660301 606387032 /nfs/dbraw/zinc/38/70/32/606387032.db2.gz VUIGRBSZTGNMQF-UHFFFAOYSA-N -2 3 387.381 0.384 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c(C)c1C ZINC000821845213 606409102 /nfs/dbraw/zinc/40/91/02/606409102.db2.gz CRZMSDAFACLSGD-UHFFFAOYSA-N -2 3 390.425 0.949 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c(C)c1C ZINC000821845213 606409104 /nfs/dbraw/zinc/40/91/04/606409104.db2.gz CRZMSDAFACLSGD-UHFFFAOYSA-N -2 3 390.425 0.949 20 0 GCADHL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1F ZINC000821578191 606590860 /nfs/dbraw/zinc/59/08/60/606590860.db2.gz RTGRFGXERFJHLM-UHFFFAOYSA-N -2 3 391.388 0.903 20 0 GCADHL CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1F ZINC000821578191 606590862 /nfs/dbraw/zinc/59/08/62/606590862.db2.gz RTGRFGXERFJHLM-UHFFFAOYSA-N -2 3 391.388 0.903 20 0 GCADHL Cn1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(-c4nn[n-]n4)cc3)n2)n1 ZINC000822689549 606605694 /nfs/dbraw/zinc/60/56/94/606605694.db2.gz LWUVFYNTSGWRDI-UHFFFAOYSA-N -2 3 386.401 0.041 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCOC1CCOCC1 ZINC000822222466 606614606 /nfs/dbraw/zinc/61/46/06/606614606.db2.gz IBDZKFBSXRHKCR-UHFFFAOYSA-N -2 3 395.441 0.566 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCOC1CCOCC1 ZINC000822222466 606614607 /nfs/dbraw/zinc/61/46/07/606614607.db2.gz IBDZKFBSXRHKCR-UHFFFAOYSA-N -2 3 395.441 0.566 20 0 GCADHL CCOCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000821367183 606654039 /nfs/dbraw/zinc/65/40/39/606654039.db2.gz CEXXLGRRUGRGHD-UHFFFAOYSA-N -2 3 390.219 0.471 20 0 GCADHL CCOCC(=O)[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000821367183 606654040 /nfs/dbraw/zinc/65/40/40/606654040.db2.gz CEXXLGRRUGRGHD-UHFFFAOYSA-N -2 3 390.219 0.471 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1C(N)=O ZINC000822685205 606707970 /nfs/dbraw/zinc/70/79/70/606707970.db2.gz VCKDXGHGJULBKP-UHFFFAOYSA-N -2 3 393.433 0.056 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(F)c1 ZINC000819818200 606708448 /nfs/dbraw/zinc/70/84/48/606708448.db2.gz RVBVODVFLXMZDZ-UHFFFAOYSA-N -2 3 380.365 0.499 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000821427690 606708695 /nfs/dbraw/zinc/70/86/95/606708695.db2.gz YJBISVUHRWGNJZ-UHFFFAOYSA-N -3 3 393.385 0.498 20 0 GCADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1F ZINC000821342790 606708801 /nfs/dbraw/zinc/70/88/01/606708801.db2.gz HKTGZDGBGWYXID-UHFFFAOYSA-N -2 3 395.376 0.717 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 ZINC000822623531 606710028 /nfs/dbraw/zinc/71/00/28/606710028.db2.gz ZECFEZUEECQWJO-UHFFFAOYSA-N -2 3 390.385 0.358 20 0 GCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1F ZINC000819817758 606710238 /nfs/dbraw/zinc/71/02/38/606710238.db2.gz LVQLSKGDAOWBCB-UHFFFAOYSA-N -2 3 380.365 0.499 20 0 GCADHL COCCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1C ZINC000821693984 606710756 /nfs/dbraw/zinc/71/07/56/606710756.db2.gz XVDKWUUVJHUWML-UHFFFAOYSA-N -2 3 393.429 0.735 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821666823 606866160 /nfs/dbraw/zinc/86/61/60/606866160.db2.gz HWUXSMDIEATEPW-UHFFFAOYSA-N -2 3 381.349 0.327 20 0 GCADHL C[C@]1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCS(=O)(=O)C1 ZINC000820623135 606882413 /nfs/dbraw/zinc/88/24/13/606882413.db2.gz GCURQYQQWBZISY-LBPRGKRZSA-N -2 3 393.397 0.000 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)N1CCCCC1 ZINC000823005088 606887273 /nfs/dbraw/zinc/88/72/73/606887273.db2.gz BCTWCXOSBFOGNV-UHFFFAOYSA-N -2 3 386.384 0.436 20 0 GCADHL CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819898723 606887655 /nfs/dbraw/zinc/88/76/55/606887655.db2.gz ILPVOEGXRRHSPR-UHFFFAOYSA-N -2 3 388.400 0.586 20 0 GCADHL NC(=O)C1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCCCC1 ZINC000822858843 606889070 /nfs/dbraw/zinc/88/90/70/606889070.db2.gz CVFPQWKWBLMTCD-UHFFFAOYSA-N -2 3 386.384 0.611 20 0 GCADHL O=S(=O)([N-]CCNc1ncccn1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578194 606889719 /nfs/dbraw/zinc/88/97/19/606889719.db2.gz JRSCIHOJFDFFAH-UHFFFAOYSA-N -2 3 382.356 0.325 20 0 GCADHL NC(=O)C1CCC([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000822858821 606890677 /nfs/dbraw/zinc/89/06/77/606890677.db2.gz CIWINCSFDJGDRB-UHFFFAOYSA-N -2 3 386.384 0.467 20 0 GCADHL O=S(=O)([N-]CCOc1cccnc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578292 606893055 /nfs/dbraw/zinc/89/30/55/606893055.db2.gz LCHFQEPQDSGXRS-UHFFFAOYSA-N -2 3 382.352 0.897 20 0 GCADHL O=S(=O)([N-][C@H]1CCCn2ncnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572190 606895977 /nfs/dbraw/zinc/89/59/77/606895977.db2.gz DHDVLLJHMKUVNJ-JTQLQIEISA-N -2 3 382.356 0.550 20 0 GCADHL O=S(=O)([N-]CCCO[C@@H]1CCOC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572380 606896385 /nfs/dbraw/zinc/89/63/85/606896385.db2.gz HEOUOVXVNHGJFD-SNVBAGLBSA-N -2 3 389.384 0.619 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820450067 607017266 /nfs/dbraw/zinc/01/72/66/607017266.db2.gz GQIOBCWTKBCAAX-GXFFZTMASA-N -2 3 396.429 0.108 20 0 GCADHL C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]O[C@@H]1CCCCO1 ZINC000820450067 607017267 /nfs/dbraw/zinc/01/72/67/607017267.db2.gz GQIOBCWTKBCAAX-GXFFZTMASA-N -2 3 396.429 0.108 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820444334 607018077 /nfs/dbraw/zinc/01/80/77/607018077.db2.gz IPEGAESNJRLWTC-MFKMUULPSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820444334 607018079 /nfs/dbraw/zinc/01/80/79/607018079.db2.gz IPEGAESNJRLWTC-MFKMUULPSA-N -2 3 396.429 0.108 20 0 GCADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000821943937 607026830 /nfs/dbraw/zinc/02/68/30/607026830.db2.gz YIMMZQZCBBUWMY-UHFFFAOYSA-N -2 3 386.440 0.528 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000820001561 607089189 /nfs/dbraw/zinc/08/91/89/607089189.db2.gz SFQVJFJYBQCGQR-GFCCVEGCSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000820001472 607089308 /nfs/dbraw/zinc/08/93/08/607089308.db2.gz NZCVTRWTBJQWLB-UHFFFAOYSA-N -2 3 388.409 0.924 20 0 GCADHL CCOCCS(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821383900 607089637 /nfs/dbraw/zinc/08/96/37/607089637.db2.gz KQSDIINAYWRBRI-UHFFFAOYSA-N -2 3 383.430 0.507 20 0 GCADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823387080 607107398 /nfs/dbraw/zinc/10/73/98/607107398.db2.gz CHWUKHVIVFKSHP-AWEZNQCLSA-N -2 3 375.385 0.728 20 0 GCADHL COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821919795 607223844 /nfs/dbraw/zinc/22/38/44/607223844.db2.gz FAWVIJZAJVZVDV-UHFFFAOYSA-N -2 3 390.429 0.841 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450343 607777612 /nfs/dbraw/zinc/77/76/12/607777612.db2.gz HWMWNELOUZRZDC-UHFFFAOYSA-N -2 3 384.381 0.499 20 0 GCADHL O=C([N-]S(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450343 607777613 /nfs/dbraw/zinc/77/76/13/607777613.db2.gz HWMWNELOUZRZDC-UHFFFAOYSA-N -2 3 384.381 0.499 20 0 GCADHL NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000826391907 607809501 /nfs/dbraw/zinc/80/95/01/607809501.db2.gz GJCLEPUTBCDGCU-UHFFFAOYSA-N -2 3 386.397 0.504 20 0 GCADHL NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000826391907 607809502 /nfs/dbraw/zinc/80/95/02/607809502.db2.gz GJCLEPUTBCDGCU-UHFFFAOYSA-N -2 3 386.397 0.504 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cnn1C ZINC000826236419 607985557 /nfs/dbraw/zinc/98/55/57/607985557.db2.gz LIIFYKXQQKDXNP-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cnn1C ZINC000826236419 607985558 /nfs/dbraw/zinc/98/55/58/607985558.db2.gz LIIFYKXQQKDXNP-UHFFFAOYSA-N -2 3 389.441 0.487 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)C1CC1 ZINC000825892201 607991196 /nfs/dbraw/zinc/99/11/96/607991196.db2.gz HVDKSDZTRCZGPG-UHFFFAOYSA-N -2 3 398.832 0.193 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)C1CC1 ZINC000825892201 607991197 /nfs/dbraw/zinc/99/11/97/607991197.db2.gz HVDKSDZTRCZGPG-UHFFFAOYSA-N -2 3 398.832 0.193 20 0 GCADHL CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825865814 608009850 /nfs/dbraw/zinc/00/98/50/608009850.db2.gz MJGGHAZZRJRHQK-UHFFFAOYSA-N -2 3 388.837 0.157 20 0 GCADHL O=S(=O)([N-][C@@H]1CCc2nccn2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489621 608056002 /nfs/dbraw/zinc/05/60/02/608056002.db2.gz VYYPSRXPAZBMPW-SECBINFHSA-N -2 3 381.368 0.635 20 0 GCADHL O=S(=O)([N-][C@H]1CCc2nccn2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826489622 608056036 /nfs/dbraw/zinc/05/60/36/608056036.db2.gz VYYPSRXPAZBMPW-VIFPVBQESA-N -2 3 381.368 0.635 20 0 GCADHL COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826104224 608057223 /nfs/dbraw/zinc/05/72/23/608057223.db2.gz SDBZSFWENQJITB-MRVPVSSYSA-N -2 3 397.310 0.620 20 0 GCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826333942 608146392 /nfs/dbraw/zinc/14/63/92/608146392.db2.gz AMKCWNCEKDDXJB-UHFFFAOYSA-N -2 3 392.445 0.783 20 0 GCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826333942 608146393 /nfs/dbraw/zinc/14/63/93/608146393.db2.gz AMKCWNCEKDDXJB-UHFFFAOYSA-N -2 3 392.445 0.783 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000825892783 608274429 /nfs/dbraw/zinc/27/44/29/608274429.db2.gz SOOZVOLJPHXXPW-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000825892783 608274430 /nfs/dbraw/zinc/27/44/30/608274430.db2.gz SOOZVOLJPHXXPW-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411561 608274676 /nfs/dbraw/zinc/27/46/76/608274676.db2.gz DGDBSAZLOYCXRN-UHFFFAOYSA-N -2 3 384.421 0.734 20 0 GCADHL O=C(CN1CCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411561 608274678 /nfs/dbraw/zinc/27/46/78/608274678.db2.gz DGDBSAZLOYCXRN-UHFFFAOYSA-N -2 3 384.421 0.734 20 0 GCADHL CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc21 ZINC000823980981 608306386 /nfs/dbraw/zinc/30/63/86/608306386.db2.gz IFFMCBXNZJOZME-UHFFFAOYSA-N -2 3 388.413 0.690 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000826172209 608351187 /nfs/dbraw/zinc/35/11/87/608351187.db2.gz SSNOPQZKOCDOGC-UHFFFAOYSA-N -2 3 382.340 0.003 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1COC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000826172209 608351189 /nfs/dbraw/zinc/35/11/89/608351189.db2.gz SSNOPQZKOCDOGC-UHFFFAOYSA-N -2 3 382.340 0.003 20 0 GCADHL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825759410 608453021 /nfs/dbraw/zinc/45/30/21/608453021.db2.gz FUSAYEXCXQLDFR-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825759410 608453022 /nfs/dbraw/zinc/45/30/22/608453022.db2.gz FUSAYEXCXQLDFR-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825659471 608819821 /nfs/dbraw/zinc/81/98/21/608819821.db2.gz UQZKDGHZTNJQCS-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCOc1ncccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825659471 608819824 /nfs/dbraw/zinc/81/98/24/608819824.db2.gz UQZKDGHZTNJQCS-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824270798 609255990 /nfs/dbraw/zinc/25/59/90/609255990.db2.gz HDUACCKONORVDB-AWEZNQCLSA-N -2 3 378.458 0.938 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826221849 609256197 /nfs/dbraw/zinc/25/61/97/609256197.db2.gz XUVWCTVABLHFIF-UHFFFAOYSA-N -2 3 388.409 0.839 20 0 GCADHL COc1nc(C)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826221849 609256198 /nfs/dbraw/zinc/25/61/98/609256198.db2.gz XUVWCTVABLHFIF-UHFFFAOYSA-N -2 3 388.409 0.839 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccccn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826450477 609257936 /nfs/dbraw/zinc/25/79/36/609257936.db2.gz ODVHNMBTHHWDAH-AWEZNQCLSA-N -2 3 399.436 0.736 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cn1 ZINC000825356896 609400191 /nfs/dbraw/zinc/40/01/91/609400191.db2.gz OZBAMYSJIPKATR-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cn1 ZINC000825356896 609400193 /nfs/dbraw/zinc/40/01/93/609400193.db2.gz OZBAMYSJIPKATR-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825356805 609403812 /nfs/dbraw/zinc/40/38/12/609403812.db2.gz KRDOMLLAUBJTLF-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825356805 609403813 /nfs/dbraw/zinc/40/38/13/609403813.db2.gz KRDOMLLAUBJTLF-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000825777237 609422797 /nfs/dbraw/zinc/42/27/97/609422797.db2.gz RAIRFBNOMMSSKH-UHFFFAOYSA-N -2 3 381.374 0.343 20 0 GCADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000055617345 639587647 /nfs/dbraw/zinc/58/76/47/639587647.db2.gz LPHRBPAQAVUKBU-SNVBAGLBSA-N -2 3 375.472 0.483 20 0 GCADHL CNC(=O)[N-][N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000057124762 639593068 /nfs/dbraw/zinc/59/30/68/639593068.db2.gz IFZNZRJDQIGLND-UHFFFAOYSA-N -2 3 391.247 0.480 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc2ccccc2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124894 639593163 /nfs/dbraw/zinc/59/31/63/639593163.db2.gz KUIDKFXZJCNNKD-CYBMUJFWSA-N -2 3 383.451 0.519 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]NC(=O)NCC(F)(F)F)o1 ZINC000060411432 639628371 /nfs/dbraw/zinc/62/83/71/639628371.db2.gz TZERVPFDMFZTHG-UHFFFAOYSA-N -2 3 386.352 0.863 20 0 GCADHL CC(C)(NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000737596072 640153712 /nfs/dbraw/zinc/15/37/12/640153712.db2.gz VCEAJZWUWFMXIT-UHFFFAOYSA-N -2 3 385.261 0.768 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CC[C@H]2CCCO2)cc1F ZINC000760133548 640564435 /nfs/dbraw/zinc/56/44/35/640564435.db2.gz YNAFRCIELYZBRP-SNVBAGLBSA-N -2 3 394.446 0.961 20 0 GCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCN2CCOCC2)s1 ZINC000761233286 640589600 /nfs/dbraw/zinc/58/96/00/640589600.db2.gz CGKIKZZNOIYTKE-UHFFFAOYSA-N -2 3 399.288 0.819 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@H]3CO2)c(F)cc1F ZINC000761293786 640591793 /nfs/dbraw/zinc/59/17/93/640591793.db2.gz OPGXGRKWSVTXAJ-VHSXEESVSA-N -2 3 376.381 0.805 20 0 GCADHL Cn1[n-]c(COC(=O)c2ccc(I)c([O-])c2)nc1=O ZINC000765509280 640672008 /nfs/dbraw/zinc/67/20/08/640672008.db2.gz SAICAOHEASQUNX-UHFFFAOYSA-N -2 3 375.122 0.776 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)c2nccs2)cc1F ZINC000774141228 640878762 /nfs/dbraw/zinc/87/87/62/640878762.db2.gz AKAQNSBTOUHBJW-UHFFFAOYSA-N -2 3 379.416 0.772 20 0 GCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(CCS(C)(=O)=O)n2)c1 ZINC000775676143 641081539 /nfs/dbraw/zinc/08/15/39/641081539.db2.gz RNSPBBFFJLZXAB-UHFFFAOYSA-N -2 3 375.428 0.443 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)C(=O)[O-] ZINC000776540327 641100940 /nfs/dbraw/zinc/10/09/40/641100940.db2.gz SYKVOOZAFBKVMF-NXEZZACHSA-N -2 3 375.403 0.053 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000776583923 641104186 /nfs/dbraw/zinc/10/41/86/641104186.db2.gz HKTKPZKINIIUNZ-ZDUSSCGKSA-N -3 3 394.789 0.366 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-] ZINC000780290428 641206753 /nfs/dbraw/zinc/20/67/53/641206753.db2.gz XIDLXEZXDHYGCS-CYBMUJFWSA-N -2 3 380.806 0.273 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-])c1F ZINC000780290127 641206781 /nfs/dbraw/zinc/20/67/81/641206781.db2.gz VSCGFKXTVMDHND-CQSZACIVSA-N -2 3 381.353 0.503 20 0 GCADHL C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCCOC1 ZINC000784896708 641297383 /nfs/dbraw/zinc/29/73/83/641297383.db2.gz LZWCTXZKQANLCY-AWEZNQCLSA-N -2 3 394.446 0.819 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CCCOC2)cc1F ZINC000784897658 641297937 /nfs/dbraw/zinc/29/79/37/641297937.db2.gz FRLFBLYTCNDHEK-SECBINFHSA-N -2 3 380.419 0.429 20 0 GCADHL CCO[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784899249 641298538 /nfs/dbraw/zinc/29/85/38/641298538.db2.gz UGRVJLDGKMZZEQ-GFCCVEGCSA-N -2 3 382.435 0.817 20 0 GCADHL COC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000786471712 641328218 /nfs/dbraw/zinc/32/82/18/641328218.db2.gz MRPHYAHKCHUHRF-UHFFFAOYSA-N -2 3 382.435 0.817 20 0 GCADHL CO[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C1CC1 ZINC000796778277 641548411 /nfs/dbraw/zinc/54/84/11/641548411.db2.gz SWYCIGCPZABPAW-LBPRGKRZSA-N -2 3 380.419 0.427 20 0 GCADHL Cn1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)n1 ZINC000804610721 641639486 /nfs/dbraw/zinc/63/94/86/641639486.db2.gz NDIICUWFXKDTMJ-UHFFFAOYSA-N -2 3 393.194 0.893 20 0 GCADHL C[C@@H]1C[C@@H](C)[C@@H](C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)O1 ZINC000800399335 642080863 /nfs/dbraw/zinc/08/08/63/642080863.db2.gz JAHYDPODYQNMQL-KKFJDGPESA-N -2 3 394.446 0.816 20 0 GCADHL O=C([O-])[C@H]1CCCN1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000829193239 642111456 /nfs/dbraw/zinc/11/14/56/642111456.db2.gz UUEGWGMJYCVBDM-DGCLKSJQSA-N -2 3 382.360 0.820 20 0 GCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000829193237 642111464 /nfs/dbraw/zinc/11/14/64/642111464.db2.gz UUEGWGMJYCVBDM-AAEUAGOBSA-N -2 3 382.360 0.820 20 0 GCADHL NC(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000833083240 642204250 /nfs/dbraw/zinc/20/42/50/642204250.db2.gz ZLBVVHJKPCCYOD-NTSWFWBYSA-N -2 3 397.203 0.052 20 0 GCADHL NC(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)O1 ZINC000833083242 642204422 /nfs/dbraw/zinc/20/44/22/642204422.db2.gz ZLBVVHJKPCCYOD-RITPCOANSA-N -2 3 397.203 0.052 20 0 GCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000833721470 642206523 /nfs/dbraw/zinc/20/65/23/642206523.db2.gz CJFNJWACLRXVQW-ZDUSSCGKSA-N -2 3 380.806 0.680 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-])c(Br)c1 ZINC000837296372 642271463 /nfs/dbraw/zinc/27/14/63/642271463.db2.gz NMRXIECXEOBBPC-MRVPVSSYSA-N -2 3 384.179 0.937 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])c1 ZINC000848677918 642549719 /nfs/dbraw/zinc/54/97/19/642549719.db2.gz NMWBPULUZPQZEV-HNNXBMFYSA-N -2 3 377.390 0.672 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)c[n-]1 ZINC000585731024 1192401030 /nfs/dbraw/zinc/40/10/30/1192401030.db2.gz YZRXOVDWZUGXSV-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000275334041 1184612930 /nfs/dbraw/zinc/61/29/30/1184612930.db2.gz UONHRMSIIBKHEZ-GFCCVEGCSA-N -2 3 385.373 0.320 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655601383 1184731176 /nfs/dbraw/zinc/73/11/76/1184731176.db2.gz KTJRCWNNPHWDHC-MFKMUULPSA-N -2 3 396.425 0.165 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000510280882 1184750621 /nfs/dbraw/zinc/75/06/21/1184750621.db2.gz IMYKTWDPRHURAY-ONGXEEELSA-N -2 3 398.445 0.188 20 0 GCADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000064940771 1185255177 /nfs/dbraw/zinc/25/51/77/1185255177.db2.gz UONKOADVVQEPCA-UHFFFAOYSA-N -2 3 378.410 0.935 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548210340 1185886123 /nfs/dbraw/zinc/88/61/23/1185886123.db2.gz KNTKEQVOBSWNEF-GFCCVEGCSA-N -2 3 399.400 0.857 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](CCC)c1nnn[n-]1)c1nnn[n-]1 ZINC000612062711 1187247766 /nfs/dbraw/zinc/24/77/66/1187247766.db2.gz XFUGCOUERZFTNG-DDHJBXDOSA-N -2 3 390.452 0.210 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](CCC)c1nnn[n-]1)c1nn[n-]n1 ZINC000612062711 1187247769 /nfs/dbraw/zinc/24/77/69/1187247769.db2.gz XFUGCOUERZFTNG-DDHJBXDOSA-N -2 3 390.452 0.210 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1C(C)[C@H]1C(=O)N[C@H](CCC)c1nn[n-]n1)c1nn[n-]n1 ZINC000612062711 1187247774 /nfs/dbraw/zinc/24/77/74/1187247774.db2.gz XFUGCOUERZFTNG-DDHJBXDOSA-N -2 3 390.452 0.210 20 0 GCADHL NS(=O)(=O)Cc1ccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc1 ZINC001167935876 1193906677 /nfs/dbraw/zinc/90/66/77/1193906677.db2.gz TYUSBOHFLLCOBF-UHFFFAOYSA-N -2 3 383.366 0.955 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)c1 ZINC000515287352 1194964809 /nfs/dbraw/zinc/96/48/09/1194964809.db2.gz JHKFZOYLQHTZRY-OCCSQVGLSA-N -2 3 399.446 0.870 20 0 GCADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)c1 ZINC000515287351 1194964884 /nfs/dbraw/zinc/96/48/84/1194964884.db2.gz JHKFZOYLQHTZRY-JSGCOSHPSA-N -2 3 399.446 0.870 20 0 GCADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1[N-]S(C)(=O)=O ZINC000515693977 1194992867 /nfs/dbraw/zinc/99/28/67/1194992867.db2.gz AGFPBIPNZVYWTI-UHFFFAOYSA-N -2 3 399.450 0.966 20 0 GCADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2nnn(Cc3noc(C)n3)c2C)c1 ZINC000436473657 1195010420 /nfs/dbraw/zinc/01/04/20/1195010420.db2.gz BHKXARALKKABOL-UHFFFAOYSA-N -2 3 380.386 0.841 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1C(N)=O ZINC000032595877 1195053196 /nfs/dbraw/zinc/05/31/96/1195053196.db2.gz OHRUMTXTYGAMQZ-UHFFFAOYSA-N -2 3 399.450 0.966 20 0 GCADHL NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000518025853 1195240076 /nfs/dbraw/zinc/24/00/76/1195240076.db2.gz QGENASISNNPCKF-UHFFFAOYSA-N -2 3 395.418 0.160 20 0 GCADHL CS(=O)(=O)c1nc([N-]C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)n[n-]1 ZINC000439148797 1195291196 /nfs/dbraw/zinc/29/11/96/1195291196.db2.gz VADLVUOMSGMZPX-UHFFFAOYSA-N -2 3 391.365 0.887 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000525824884 1196713958 /nfs/dbraw/zinc/71/39/58/1196713958.db2.gz APSOPNIYGZCTME-CYBMUJFWSA-N -2 3 394.453 0.419 20 0 GCADHL CCOC(=O)c1nnc(-c2cccc(CNC(=O)c3cnc([O-])n(C)c3=O)c2)[n-]1 ZINC000447677646 1196740003 /nfs/dbraw/zinc/74/00/03/1196740003.db2.gz GXOVNECMBQWDNU-UHFFFAOYSA-N -2 3 398.379 0.378 20 0 GCADHL CCOC(=O)c1nc(-c2cccc(CNC(=O)c3cnc([O-])n(C)c3=O)c2)n[n-]1 ZINC000447677646 1196740005 /nfs/dbraw/zinc/74/00/05/1196740005.db2.gz GXOVNECMBQWDNU-UHFFFAOYSA-N -2 3 398.379 0.378 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488637 1196991979 /nfs/dbraw/zinc/99/19/79/1196991979.db2.gz WRLPJLHFEWBXAZ-ZDUSSCGKSA-N -2 3 385.373 0.758 20 0 GCADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1C ZINC000530488012 1196992171 /nfs/dbraw/zinc/99/21/71/1196992171.db2.gz UEHGOJRMXIONHW-CYBMUJFWSA-N -2 3 385.373 0.758 20 0 GCADHL CN(C)c1nc(C(=O)N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc(=O)[n-]1 ZINC000455804218 1197577353 /nfs/dbraw/zinc/57/73/53/1197577353.db2.gz WFAHBKLSPNMOAJ-IUODEOHRSA-N -2 3 399.407 0.405 20 0 GCADHL CCOC(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])[n-]n1 ZINC000546659064 1200937550 /nfs/dbraw/zinc/93/75/50/1200937550.db2.gz OCWICDMKZWSVKE-UHFFFAOYSA-N -2 3 382.398 0.795 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001177091326 1205761939 /nfs/dbraw/zinc/76/19/39/1205761939.db2.gz BHNDRXSDSILQBG-LBPRGKRZSA-N -2 3 390.377 0.920 20 0 GCADHL CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001177649866 1205774162 /nfs/dbraw/zinc/77/41/62/1205774162.db2.gz XWVJHIIWHGZTAN-UHFFFAOYSA-N -2 3 392.437 0.946 20 0 GCADHL Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cccc(-c4nc(=O)o[n-]4)c3)C2)n1 ZINC001177890795 1205778969 /nfs/dbraw/zinc/77/89/69/1205778969.db2.gz XAAUGBFCDGWBCS-ZDUSSCGKSA-N -2 3 382.380 0.843 20 0 GCADHL C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001182976407 1205885069 /nfs/dbraw/zinc/88/50/69/1205885069.db2.gz NZQOEMXHPVRDHN-LBPRGKRZSA-N -2 3 378.387 0.569 20 0 GCADHL NC(=O)c1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185567297 1205924291 /nfs/dbraw/zinc/92/42/91/1205924291.db2.gz ZMLXCJXIJZISTK-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL NC(=O)c1ccc(Cl)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185567297 1205924292 /nfs/dbraw/zinc/92/42/92/1205924292.db2.gz ZMLXCJXIJZISTK-UHFFFAOYSA-N -2 3 379.789 0.815 20 0 GCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC001185566109 1205924439 /nfs/dbraw/zinc/92/44/39/1205924439.db2.gz HDRNLUAIVWPRAR-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC001185566109 1205924441 /nfs/dbraw/zinc/92/44/41/1205924441.db2.gz HDRNLUAIVWPRAR-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL COC(=O)c1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cncc1OC ZINC001185574032 1205924456 /nfs/dbraw/zinc/92/44/56/1205924456.db2.gz SNPZLMBAVZAMBL-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL COC(=O)c1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cncc1OC ZINC001185574032 1205924457 /nfs/dbraw/zinc/92/44/57/1205924457.db2.gz SNPZLMBAVZAMBL-UHFFFAOYSA-N -2 3 390.381 0.858 20 0 GCADHL CN(C)C(=O)c1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC001188327654 1205979145 /nfs/dbraw/zinc/97/91/45/1205979145.db2.gz NUVDCWWQYMZKAX-UHFFFAOYSA-N -2 3 388.789 0.602 20 0 GCADHL CCOC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])[n-]n1 ZINC001191007745 1206052229 /nfs/dbraw/zinc/05/22/29/1206052229.db2.gz MIELZWQKSFXURU-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL CCOC(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2[O-])n[n-]1 ZINC001191007745 1206052233 /nfs/dbraw/zinc/05/22/33/1206052233.db2.gz MIELZWQKSFXURU-UHFFFAOYSA-N -2 3 388.789 0.845 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)c(C)o1 ZINC000262856564 939079700 /nfs/dbraw/zinc/07/97/00/939079700.db2.gz AASFPZOXIXFXEP-OAHLLOKOSA-N -2 3 394.405 0.987 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000737298001 945033116 /nfs/dbraw/zinc/03/31/16/945033116.db2.gz IATURCOTWZBSNM-UHFFFAOYSA-N -2 3 381.414 0.176 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COC1CCOCC1 ZINC000737298001 945033126 /nfs/dbraw/zinc/03/31/26/945033126.db2.gz IATURCOTWZBSNM-UHFFFAOYSA-N -2 3 381.414 0.176 20 0 GCADHL Cc1n[nH]c(C(=O)NC2CCN(c3ncc(-c4nn[n-]n4)cc3F)CC2)c1[O-] ZINC001571274616 945698632 /nfs/dbraw/zinc/69/86/32/945698632.db2.gz IZKPQPWUKLQXDL-UHFFFAOYSA-N -2 3 387.379 0.537 20 0 GCADHL O=S(=O)([N-]C[C@@H](O)c1cncs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001571286115 945937116 /nfs/dbraw/zinc/93/71/16/945937116.db2.gz YKCVLHLELQIRPQ-SECBINFHSA-N -2 3 388.381 0.613 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000824280256 946641842 /nfs/dbraw/zinc/64/18/42/946641842.db2.gz IBKKHFPBIKVPPD-UHFFFAOYSA-N -2 3 378.418 0.176 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000824280256 946641848 /nfs/dbraw/zinc/64/18/48/946641848.db2.gz IBKKHFPBIKVPPD-UHFFFAOYSA-N -2 3 378.418 0.176 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868655 946964749 /nfs/dbraw/zinc/96/47/49/946964749.db2.gz WVBMNKMPRQWKSX-GXFFZTMASA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868655 946964753 /nfs/dbraw/zinc/96/47/53/946964753.db2.gz WVBMNKMPRQWKSX-GXFFZTMASA-N -2 3 377.426 0.818 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825565171 947224066 /nfs/dbraw/zinc/22/40/66/947224066.db2.gz NLJMKZPKFZHYRX-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825565171 947224076 /nfs/dbraw/zinc/22/40/76/947224076.db2.gz NLJMKZPKFZHYRX-UHFFFAOYSA-N -2 3 377.386 0.578 20 0 GCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000825851044 947348353 /nfs/dbraw/zinc/34/83/53/947348353.db2.gz STOLUAJTKGHXKB-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825851044 947348365 /nfs/dbraw/zinc/34/83/65/947348365.db2.gz STOLUAJTKGHXKB-UHFFFAOYSA-N -2 3 389.397 0.015 20 0 GCADHL COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)n1 ZINC000826163875 947515012 /nfs/dbraw/zinc/51/50/12/947515012.db2.gz PLDIGDHIKHDGHE-UHFFFAOYSA-N -2 3 391.413 0.137 20 0 GCADHL COCCn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826163875 947515016 /nfs/dbraw/zinc/51/50/16/947515016.db2.gz PLDIGDHIKHDGHE-UHFFFAOYSA-N -2 3 391.413 0.137 20 0 GCADHL CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575858058 949283619 /nfs/dbraw/zinc/28/36/19/949283619.db2.gz ZQWGXGCPRGVFTK-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575858058 949283640 /nfs/dbraw/zinc/28/36/40/949283640.db2.gz ZQWGXGCPRGVFTK-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL CC(C)(C)[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)c1ncccc1[O-] ZINC001573820299 949762938 /nfs/dbraw/zinc/76/29/38/949762938.db2.gz XEZIDKNXVOMJTJ-LLVKDONJSA-N -2 3 383.416 0.436 20 0 GCADHL C[S@](=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000380145223 971681071 /nfs/dbraw/zinc/68/10/71/971681071.db2.gz QLAQTNMMTVURPD-IBGZPJMESA-N -2 3 386.245 0.930 20 0 GCADHL CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC001590130242 950812064 /nfs/dbraw/zinc/81/20/64/950812064.db2.gz YZMORVXRGPRQQT-ZDUSSCGKSA-N -2 3 392.474 0.508 20 0 GCADHL CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)CC2)n[n-]1 ZINC001591279552 951121530 /nfs/dbraw/zinc/12/15/30/951121530.db2.gz QEAOMPZLMODDOO-STQMWFEESA-N -2 3 394.428 0.957 20 0 GCADHL CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CO[C@@H](CCC(=O)[O-])C3)CC2)[n-]1 ZINC001591279552 951121536 /nfs/dbraw/zinc/12/15/36/951121536.db2.gz QEAOMPZLMODDOO-STQMWFEESA-N -2 3 394.428 0.957 20 0 GCADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001595179640 952247441 /nfs/dbraw/zinc/24/74/41/952247441.db2.gz FPYLHCRXYIEFIA-NXEZZACHSA-N -2 3 378.809 0.984 20 0 GCADHL CCO[C@@H]1C[C@@H](NCc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)[C@@H]1SC ZINC001571123096 952527750 /nfs/dbraw/zinc/52/77/50/952527750.db2.gz ONPIYKGGBUMQMM-WZRBSPASSA-N -2 3 376.446 0.614 20 0 GCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571171836 952797731 /nfs/dbraw/zinc/79/77/31/952797731.db2.gz XYVLCRWPGZMSDD-QWRGUYRKSA-N -2 3 381.400 0.720 20 0 GCADHL C[C@H]1CN(C(=O)c2ncccc2[O-])CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571171836 952797732 /nfs/dbraw/zinc/79/77/32/952797732.db2.gz XYVLCRWPGZMSDD-QWRGUYRKSA-N -2 3 381.400 0.720 20 0 GCADHL O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571175680 952824883 /nfs/dbraw/zinc/82/48/83/952824883.db2.gz DZZMLDBQECMNAI-WDEREUQCSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571175680 952824887 /nfs/dbraw/zinc/82/48/87/952824887.db2.gz DZZMLDBQECMNAI-WDEREUQCSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(c1ncccc1[O-])N1CCC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571178459 952842155 /nfs/dbraw/zinc/84/21/55/952842155.db2.gz JJDPETYGUMZVNX-LLVKDONJSA-N -2 3 381.400 0.722 20 0 GCADHL O=C(c1ncccc1[O-])N1CCC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571178459 952842160 /nfs/dbraw/zinc/84/21/60/952842160.db2.gz JJDPETYGUMZVNX-LLVKDONJSA-N -2 3 381.400 0.722 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571178648 952844593 /nfs/dbraw/zinc/84/45/93/952844593.db2.gz PTHJJCRQDXZUAL-NSHDSACASA-N -2 3 381.400 0.722 20 0 GCADHL O=C(c1ncccc1[O-])N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571178648 952844603 /nfs/dbraw/zinc/84/46/03/952844603.db2.gz PTHJJCRQDXZUAL-NSHDSACASA-N -2 3 381.400 0.722 20 0 GCADHL O=c1cc(CN[C@@H]([C@H]2CCOC2)C(F)(F)F)nc2c(-c3nnn[n-]3)c[n-]n21 ZINC001571234943 953206650 /nfs/dbraw/zinc/20/66/50/953206650.db2.gz NMTVPBCHRGQSCI-CPCISQLKSA-N -2 3 384.322 0.672 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571238788 953232472 /nfs/dbraw/zinc/23/24/72/953232472.db2.gz MRPGUQNGSJVFDR-NXEZZACHSA-N -2 3 384.404 0.547 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571238793 953233392 /nfs/dbraw/zinc/23/33/92/953233392.db2.gz MRPGUQNGSJVFDR-ZJUUUORDSA-N -2 3 384.404 0.547 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)c1[O-] ZINC001571239117 953236370 /nfs/dbraw/zinc/23/63/70/953236370.db2.gz QVAMGTKEVIZGSQ-VHSXEESVSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)c1[O-] ZINC001571239117 953236372 /nfs/dbraw/zinc/23/63/72/953236372.db2.gz QVAMGTKEVIZGSQ-VHSXEESVSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239250 953237054 /nfs/dbraw/zinc/23/70/54/953237054.db2.gz RIMLSOFZBYZORZ-NXEZZACHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCCN(c3nccnc3-c3nnn[n-]3)CC2)c1[O-] ZINC001571239832 953243469 /nfs/dbraw/zinc/24/34/69/953243469.db2.gz ZGNPZDPMCWBQMB-JTQLQIEISA-N -2 3 384.404 0.183 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c(F)c1 ZINC000593218899 953750104 /nfs/dbraw/zinc/75/01/04/953750104.db2.gz YQTHLDOEQMEJPS-CYBMUJFWSA-N -2 3 385.373 0.840 20 0 GCADHL O=C([O-])[C@@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCCO1 ZINC001594861069 954276377 /nfs/dbraw/zinc/27/63/77/954276377.db2.gz JIUOHDQDPMYTPE-LBPRGKRZSA-N -2 3 382.847 0.430 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594503022 955340144 /nfs/dbraw/zinc/34/01/44/955340144.db2.gz TZMHFEDAROJWJC-KPXOXKRLSA-N -2 3 387.458 0.821 20 0 GCADHL C[C@@H](CC(=O)[O-])NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001589002590 955342858 /nfs/dbraw/zinc/34/28/58/955342858.db2.gz VYFNFUVKDDYHRG-QMMMGPOBSA-N -2 3 381.813 0.920 20 0 GCADHL 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ZINC000547885875 531105775 /nfs/dbraw/zinc/10/57/75/531105775.db2.gz XXMFSMOVLONKSX-LBPRGKRZSA-N -2 3 398.434 0.354 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000547934248 531107855 /nfs/dbraw/zinc/10/78/55/531107855.db2.gz KKYZDAFQUIWESG-SNVBAGLBSA-N -2 3 398.528 0.762 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(C(=O)OC)s1 ZINC000547934919 531107887 /nfs/dbraw/zinc/10/78/87/531107887.db2.gz ZGZBFBQLKNEZJA-VIFPVBQESA-N -2 3 377.396 0.463 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-])cnc2c1Cl ZINC000548028557 531108745 /nfs/dbraw/zinc/10/87/45/531108745.db2.gz BDTOSFPORFTPDO-ZDUSSCGKSA-N -2 3 376.822 0.443 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)s1 ZINC000548208227 531111142 /nfs/dbraw/zinc/11/11/42/531111142.db2.gz SHBDWMKKTVWUHO-XCBNKYQSSA-N -2 3 379.412 0.311 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl)C(=O)[O-] ZINC000548210114 531111685 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Cc1nnc(CC[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000564357051 531123094 /nfs/dbraw/zinc/12/30/94/531123094.db2.gz LWQNKARDLLMIRL-UHFFFAOYSA-N -2 3 394.475 0.878 20 0 GCADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-])C1CC1 ZINC000548868122 531123633 /nfs/dbraw/zinc/12/36/33/531123633.db2.gz SMFWODRADGIKJI-ISVAXAHUSA-N -3 3 394.446 0.975 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])OC)c1OC ZINC000551913372 531140350 /nfs/dbraw/zinc/14/03/50/531140350.db2.gz CICXFDBTNZBEQM-SECBINFHSA-N -2 3 394.833 0.476 20 0 GCADHL C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000433445049 531129731 /nfs/dbraw/zinc/12/97/31/531129731.db2.gz AHYCAXPOLPDXET-RNCFNFMXSA-N -2 3 382.435 0.015 20 0 GCADHL COC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H]1CCCO1 ZINC000433475501 531130453 /nfs/dbraw/zinc/13/04/53/531130453.db2.gz RWYOLONWDXNECU-STQMWFEESA-N -2 3 396.462 0.670 20 0 GCADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1S(N)(=O)=O 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NDYSNFFCWPYSBD-UHFFFAOYSA-N -2 3 390.418 0.936 20 0 GCADHL CO[C@H](C)c1nc(=NC(=O)CC[N-]S(=O)(=O)c2cn(C)c(C)n2)s[n-]1 ZINC000555319783 531168544 /nfs/dbraw/zinc/16/85/44/531168544.db2.gz YQNFNRQCPRRJJA-MRVPVSSYSA-N -2 3 388.475 0.016 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C(=O)[O-] ZINC000682897933 531176113 /nfs/dbraw/zinc/17/61/13/531176113.db2.gz OLPYEWAQQPPDSB-MFKMUULPSA-N -2 3 376.456 0.469 20 0 GCADHL COc1cc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c(OC)cc1Br ZINC000564730994 531176143 /nfs/dbraw/zinc/17/61/43/531176143.db2.gz IYTJHWYGMXSEHK-MRVPVSSYSA-N -2 3 398.231 0.580 20 0 GCADHL O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000683140319 531177150 /nfs/dbraw/zinc/17/71/50/531177150.db2.gz YHBOOTGDIBWVIT-UHFFFAOYSA-N -2 3 385.623 0.582 20 0 GCADHL O=C([O-])CNC(=O)CC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000278212505 531183135 /nfs/dbraw/zinc/18/31/35/531183135.db2.gz HZSGZPZPPZPOQM-UHFFFAOYSA-N -2 3 399.650 0.972 20 0 GCADHL C[C@]1(c2ccc(CNS(=O)(=O)[N-]CC(F)(F)F)cc2)NC(=O)[N-]C1=O ZINC000442983228 531193409 /nfs/dbraw/zinc/19/34/09/531193409.db2.gz MHZJPZZSFLFNHL-GFCCVEGCSA-N -2 3 380.348 0.228 20 0 GCADHL CS(=O)(=O)N1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000566317516 531196559 /nfs/dbraw/zinc/19/65/59/531196559.db2.gz RKTMQPHSUIURSP-SNVBAGLBSA-N -2 3 380.419 0.226 20 0 GCADHL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737754506 598842094 /nfs/dbraw/zinc/84/20/94/598842094.db2.gz XGMIZBMYGJTVCD-UHFFFAOYSA-N -2 3 392.372 0.671 20 0 GCADHL NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737754506 598842095 /nfs/dbraw/zinc/84/20/95/598842095.db2.gz XGMIZBMYGJTVCD-UHFFFAOYSA-N -2 3 392.372 0.671 20 0 GCADHL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737769896 598843882 /nfs/dbraw/zinc/84/38/82/598843882.db2.gz QHPMYQQSHXHKHQ-UHFFFAOYSA-N -2 3 398.401 0.454 20 0 GCADHL NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737769896 598843885 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ZINC000735461962 598975632 /nfs/dbraw/zinc/97/56/32/598975632.db2.gz VFFXDNMBKXYSOJ-UHFFFAOYSA-N -2 3 392.441 0.239 20 0 GCADHL CC(=O)N1CCC(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000735461962 598975634 /nfs/dbraw/zinc/97/56/34/598975634.db2.gz VFFXDNMBKXYSOJ-UHFFFAOYSA-N -2 3 392.441 0.239 20 0 GCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n(C)c1 ZINC000735497163 598976048 /nfs/dbraw/zinc/97/60/48/598976048.db2.gz PYZAWUWBQPSNRG-UHFFFAOYSA-N -2 3 388.409 0.835 20 0 GCADHL CC(=O)c1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(C)c1 ZINC000735497163 598976050 /nfs/dbraw/zinc/97/60/50/598976050.db2.gz PYZAWUWBQPSNRG-UHFFFAOYSA-N -2 3 388.409 0.835 20 0 GCADHL CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736600179 598973828 /nfs/dbraw/zinc/97/38/28/598973828.db2.gz KMKKMEUOZKMRLL-UHFFFAOYSA-N -2 3 382.402 0.116 20 0 GCADHL CCOC(=O)NCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736600179 598973829 /nfs/dbraw/zinc/97/38/29/598973829.db2.gz KMKKMEUOZKMRLL-UHFFFAOYSA-N -2 3 382.402 0.116 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCOCC1 ZINC000737297928 598974349 /nfs/dbraw/zinc/97/43/49/598974349.db2.gz GDBGHPWBRPTKIR-HYXAFXHYSA-N -2 3 377.426 0.963 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCOCC1 ZINC000737297928 598974351 /nfs/dbraw/zinc/97/43/51/598974351.db2.gz GDBGHPWBRPTKIR-HYXAFXHYSA-N -2 3 377.426 0.963 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000737297568 598974687 /nfs/dbraw/zinc/97/46/87/598974687.db2.gz CCZSBOVBKRQLEM-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)CC(C)(C)C ZINC000737297568 598974689 /nfs/dbraw/zinc/97/46/89/598974689.db2.gz CCZSBOVBKRQLEM-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C ZINC000737297549 598974868 /nfs/dbraw/zinc/97/48/68/598974868.db2.gz BJPURJMQDHNJGC-UHFFFAOYSA-N -2 3 398.408 0.576 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)nnn2C ZINC000737297549 598974870 /nfs/dbraw/zinc/97/48/70/598974870.db2.gz BJPURJMQDHNJGC-UHFFFAOYSA-N -2 3 398.408 0.576 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000737300001 598976984 /nfs/dbraw/zinc/97/69/84/598976984.db2.gz TXQDLJJMACWCAY-UHFFFAOYSA-N -2 3 395.832 0.920 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCn1cc(Cl)cn1 ZINC000737300001 598976986 /nfs/dbraw/zinc/97/69/86/598976986.db2.gz TXQDLJJMACWCAY-UHFFFAOYSA-N -2 3 395.832 0.920 20 0 GCADHL COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N-]S(C)(=O)=O ZINC000737104488 599020560 /nfs/dbraw/zinc/02/05/60/599020560.db2.gz PZAMUUXQTCVOLM-UHFFFAOYSA-N -2 3 389.397 0.894 20 0 GCADHL O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737835469 599219094 /nfs/dbraw/zinc/21/90/94/599219094.db2.gz HUSQKTKZPIHAEM-UHFFFAOYSA-N -2 3 388.409 0.314 20 0 GCADHL O=C(CCCn1ccccc1=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737835469 599219096 /nfs/dbraw/zinc/21/90/96/599219096.db2.gz HUSQKTKZPIHAEM-UHFFFAOYSA-N -2 3 388.409 0.314 20 0 GCADHL O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000823145011 599231760 /nfs/dbraw/zinc/23/17/60/599231760.db2.gz OENHNPYABBRMEM-UHFFFAOYSA-N -2 3 385.409 0.955 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000821663769 599232792 /nfs/dbraw/zinc/23/27/92/599232792.db2.gz NMTTVZXMQRZFMB-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000821663769 599232794 /nfs/dbraw/zinc/23/27/94/599232794.db2.gz NMTTVZXMQRZFMB-UHFFFAOYSA-N -2 3 398.792 0.085 20 0 GCADHL Cc1cc(C)nc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n1 ZINC000822199103 607326843 /nfs/dbraw/zinc/32/68/43/607326843.db2.gz WPCCWJBUFSZTGK-UHFFFAOYSA-N -2 3 398.412 0.655 20 0 GCADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737174400 598283130 /nfs/dbraw/zinc/28/31/30/598283130.db2.gz WDINWPXVHRCLLF-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737174400 598283131 /nfs/dbraw/zinc/28/31/31/598283131.db2.gz WDINWPXVHRCLLF-UHFFFAOYSA-N -2 3 380.411 0.466 20 0 GCADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737800126 598307428 /nfs/dbraw/zinc/30/74/28/598307428.db2.gz KKVPHKOGSZIHQB-LJTDUEICSA-N -2 3 377.426 0.895 20 0 GCADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737800126 598307429 /nfs/dbraw/zinc/30/74/29/598307429.db2.gz KKVPHKOGSZIHQB-LJTDUEICSA-N -2 3 377.426 0.895 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737033107 598308529 /nfs/dbraw/zinc/30/85/29/598308529.db2.gz OGUCAYHBOUDDRB-UHFFFAOYSA-N -2 3 390.381 0.976 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000737033107 598308530 /nfs/dbraw/zinc/30/85/30/598308530.db2.gz OGUCAYHBOUDDRB-UHFFFAOYSA-N -2 3 390.381 0.976 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736624468 598331721 /nfs/dbraw/zinc/33/17/21/598331721.db2.gz ZAYQLNWZRMGKAN-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736624468 598331724 /nfs/dbraw/zinc/33/17/24/598331724.db2.gz ZAYQLNWZRMGKAN-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738138649 598332187 /nfs/dbraw/zinc/33/21/87/598332187.db2.gz HHZATQULRMQEJB-UHFFFAOYSA-N -2 3 384.421 0.900 20 0 GCADHL O=C([N-]S(=O)(=O)N1CCc2ccccc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738138649 598332189 /nfs/dbraw/zinc/33/21/89/598332189.db2.gz HHZATQULRMQEJB-UHFFFAOYSA-N -2 3 384.421 0.900 20 0 GCADHL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736932106 598414634 /nfs/dbraw/zinc/41/46/34/598414634.db2.gz GENOLOFHCPVTSG-UHFFFAOYSA-N -2 3 388.793 0.023 20 0 GCADHL COC(=O)N(C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736932106 598414635 /nfs/dbraw/zinc/41/46/35/598414635.db2.gz GENOLOFHCPVTSG-UHFFFAOYSA-N -2 3 388.793 0.023 20 0 GCADHL Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737603296 598415135 /nfs/dbraw/zinc/41/51/35/598415135.db2.gz JHWOBRISSQQDAQ-UHFFFAOYSA-N -2 3 381.805 0.301 20 0 GCADHL Cn1cc(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737603296 598415138 /nfs/dbraw/zinc/41/51/38/598415138.db2.gz JHWOBRISSQQDAQ-UHFFFAOYSA-N -2 3 381.805 0.301 20 0 GCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737864515 598417122 /nfs/dbraw/zinc/41/71/22/598417122.db2.gz YYFOBMURFMCYRF-UHFFFAOYSA-N -2 3 381.805 0.612 20 0 GCADHL O=C(CCn1cccn1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737864515 598417123 /nfs/dbraw/zinc/41/71/23/598417123.db2.gz YYFOBMURFMCYRF-UHFFFAOYSA-N -2 3 381.805 0.612 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000737764949 598438752 /nfs/dbraw/zinc/43/87/52/598438752.db2.gz PHZPNLDBFMSPLF-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000737764949 598438753 /nfs/dbraw/zinc/43/87/53/598438753.db2.gz PHZPNLDBFMSPLF-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL c1ccc(-n2[n-]nnc2=NC2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC000738426664 598459831 /nfs/dbraw/zinc/45/98/31/598459831.db2.gz SYQGWWVPZLKTGS-UHFFFAOYSA-N -2 3 389.427 0.740 20 0 GCADHL c1ccc(-n2[n-]nnc2=NC2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)cc1 ZINC000738426664 598459832 /nfs/dbraw/zinc/45/98/32/598459832.db2.gz SYQGWWVPZLKTGS-UHFFFAOYSA-N -2 3 389.427 0.740 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000737621373 598482411 /nfs/dbraw/zinc/48/24/11/598482411.db2.gz FJGNLXYFJGHETD-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000737621373 598482412 /nfs/dbraw/zinc/48/24/12/598482412.db2.gz FJGNLXYFJGHETD-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL O=C(CSC[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932188 598482645 /nfs/dbraw/zinc/48/26/45/598482645.db2.gz KQBPACSJEQVXIG-GFCCVEGCSA-N -2 3 397.482 0.974 20 0 GCADHL O=C(CSC[C@H]1CCCCO1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932188 598482647 /nfs/dbraw/zinc/48/26/47/598482647.db2.gz KQBPACSJEQVXIG-GFCCVEGCSA-N -2 3 397.482 0.974 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737761306 598565501 /nfs/dbraw/zinc/56/55/01/598565501.db2.gz WXPFDFKJIOYWFR-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737761306 598565502 /nfs/dbraw/zinc/56/55/02/598565502.db2.gz WXPFDFKJIOYWFR-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL CCc1c(C)sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nnn[n-]1 ZINC000736675812 598657549 /nfs/dbraw/zinc/65/75/49/598657549.db2.gz ORSYXNHMCOHCOS-UHFFFAOYSA-N -2 3 385.413 0.822 20 0 GCADHL CCc1c(C)sc(NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)c1-c1nn[n-]n1 ZINC000736675812 598657551 /nfs/dbraw/zinc/65/75/51/598657551.db2.gz ORSYXNHMCOHCOS-UHFFFAOYSA-N -2 3 385.413 0.822 20 0 GCADHL O=C(COc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737918453 598752796 /nfs/dbraw/zinc/75/27/96/598752796.db2.gz FMMKYCFMGQQMSB-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735465791 598798822 /nfs/dbraw/zinc/79/88/22/598798822.db2.gz NVCXTYYIPBGUGB-CQSZACIVSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735465791 598798823 /nfs/dbraw/zinc/79/88/23/598798823.db2.gz NVCXTYYIPBGUGB-CQSZACIVSA-N -2 3 392.441 0.071 20 0 GCADHL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821635167 599619863 /nfs/dbraw/zinc/61/98/63/599619863.db2.gz PAGWGSHXRULKGV-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL CNC(=O)c1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821635167 599619864 /nfs/dbraw/zinc/61/98/64/599619864.db2.gz PAGWGSHXRULKGV-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccccn12 ZINC000822422902 599620106 /nfs/dbraw/zinc/62/01/06/599620106.db2.gz FZLLBSMJQSPLSK-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL Cc1nc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccccn12 ZINC000822422902 599620107 /nfs/dbraw/zinc/62/01/07/599620107.db2.gz FZLLBSMJQSPLSK-UHFFFAOYSA-N -2 3 383.393 0.942 20 0 GCADHL O=C(CCCOc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822958893 599621114 /nfs/dbraw/zinc/62/11/14/599621114.db2.gz LYOOLWWFJFCHSO-UHFFFAOYSA-N -2 3 388.409 0.926 20 0 GCADHL O=C(CCCOc1cccnc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822958893 599621115 /nfs/dbraw/zinc/62/11/15/599621115.db2.gz LYOOLWWFJFCHSO-UHFFFAOYSA-N -2 3 388.409 0.926 20 0 GCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nnn1C ZINC000822020368 599623006 /nfs/dbraw/zinc/62/30/06/599623006.db2.gz APVAYSMUAPIXHN-UHFFFAOYSA-N -2 3 382.793 0.076 20 0 GCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nnn1C ZINC000822020368 599623007 /nfs/dbraw/zinc/62/30/07/599623007.db2.gz APVAYSMUAPIXHN-UHFFFAOYSA-N -2 3 382.793 0.076 20 0 GCADHL O=C(Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823115349 599623483 /nfs/dbraw/zinc/62/34/83/599623483.db2.gz MLHGZQZUDDDGMS-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL O=C(Cc1cccnc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823115349 599623484 /nfs/dbraw/zinc/62/34/84/599623484.db2.gz MLHGZQZUDDDGMS-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820541178 599625949 /nfs/dbraw/zinc/62/59/49/599625949.db2.gz BQNNVTRKOSNIDT-ZETCQYMHSA-N -2 3 379.320 0.642 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820541178 599625950 /nfs/dbraw/zinc/62/59/50/599625950.db2.gz BQNNVTRKOSNIDT-ZETCQYMHSA-N -2 3 379.320 0.642 20 0 GCADHL COCCN1CC[C@@H](NC(=O)c2ccc(-n3[n-]c(CC(=O)[O-])cc3=O)cc2)C1 ZINC000737808865 599762193 /nfs/dbraw/zinc/76/21/93/599762193.db2.gz FPVOCAUEQQRTIE-CQSZACIVSA-N -2 3 388.424 0.243 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCN2C(=O)NC3(CCCC3)C2=O)o1 ZINC000740175302 599767071 /nfs/dbraw/zinc/76/70/71/599767071.db2.gz MVEMHLDPLJILJV-UHFFFAOYSA-N -2 3 385.398 0.511 20 0 GCADHL CCOC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000737132536 599786660 /nfs/dbraw/zinc/78/66/60/599786660.db2.gz LHWWPWJIJBSVKD-OAHLLOKOSA-N -2 3 384.454 0.792 20 0 GCADHL O=C([O-])c1ccc2c(c1)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C2 ZINC000740204940 600073660 /nfs/dbraw/zinc/07/36/60/600073660.db2.gz ZFVAJXQDAPKCSL-UHFFFAOYSA-N -2 3 394.181 0.952 20 0 GCADHL COC(=O)[C@@H](CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000737569106 600242546 /nfs/dbraw/zinc/24/25/46/600242546.db2.gz XQPLTYIDMMRNGL-LLVKDONJSA-N -2 3 388.373 0.013 20 0 GCADHL COC(=O)[C@@H](CC(=O)[O-])NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000737562749 600244814 /nfs/dbraw/zinc/24/48/14/600244814.db2.gz BHWVNEZSYJOINU-CYBMUJFWSA-N -2 3 388.380 0.205 20 0 GCADHL 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CCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C)c1nnn[n-]1 ZINC000821021660 606305631 /nfs/dbraw/zinc/30/56/31/606305631.db2.gz NTTZFNSXLVZTHY-NSHDSACASA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nnn[n-]1 ZINC000821021660 606305632 /nfs/dbraw/zinc/30/56/32/606305632.db2.gz NTTZFNSXLVZTHY-NSHDSACASA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C)c1nn[n-]n1 ZINC000821021660 606305635 /nfs/dbraw/zinc/30/56/35/606305635.db2.gz NTTZFNSXLVZTHY-NSHDSACASA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nn[n-]n1 ZINC000821021660 606305636 /nfs/dbraw/zinc/30/56/36/606305636.db2.gz NTTZFNSXLVZTHY-NSHDSACASA-N -2 3 386.420 0.687 20 0 GCADHL CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cnc([O-])n(C)c1=O ZINC000820087456 606360488 /nfs/dbraw/zinc/36/04/88/606360488.db2.gz SAKPOZYWZAXXOG-UHFFFAOYSA-N -2 3 383.412 0.964 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000822645810 606408015 /nfs/dbraw/zinc/40/80/15/606408015.db2.gz QEKWDQUMSLJNEB-UHFFFAOYSA-N -2 3 381.805 0.513 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000822645810 606408017 /nfs/dbraw/zinc/40/80/17/606408017.db2.gz QEKWDQUMSLJNEB-UHFFFAOYSA-N -2 3 381.805 0.513 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H](C)Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821566516 606436898 /nfs/dbraw/zinc/43/68/98/606436898.db2.gz IAUDIQMIVUDWGV-SNVBAGLBSA-N -2 3 391.413 0.356 20 0 GCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821937455 606529484 /nfs/dbraw/zinc/52/94/84/606529484.db2.gz MXXZCRMCKAHXCA-UHFFFAOYSA-N -2 3 380.415 0.271 20 0 GCADHL CS(=O)(=O)[N-]c1nnc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821937455 606529485 /nfs/dbraw/zinc/52/94/85/606529485.db2.gz MXXZCRMCKAHXCA-UHFFFAOYSA-N -2 3 380.415 0.271 20 0 GCADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC000819971527 606621029 /nfs/dbraw/zinc/62/10/29/606621029.db2.gz NQRILVXADZXMEU-UHFFFAOYSA-N -2 3 390.429 0.718 20 0 GCADHL COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821657340 606708853 /nfs/dbraw/zinc/70/88/53/606708853.db2.gz MGNGERNWGUXLEI-YVMONPNESA-N -2 3 389.397 0.587 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 ZINC000822622477 606710121 /nfs/dbraw/zinc/71/01/21/606710121.db2.gz DZELSZQFALTUCH-UHFFFAOYSA-N -2 3 392.376 0.425 20 0 GCADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821384529 606710801 /nfs/dbraw/zinc/71/08/01/606710801.db2.gz YVVNAJNRGVHECQ-UHFFFAOYSA-N -2 3 393.429 0.816 20 0 GCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000821589349 606820439 /nfs/dbraw/zinc/82/04/39/606820439.db2.gz KIVHQRWIJRTPRB-UHFFFAOYSA-N -2 3 390.429 0.171 20 0 GCADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000823614937 606865882 /nfs/dbraw/zinc/86/58/82/606865882.db2.gz VHYLASRDFMTXQB-UHFFFAOYSA-N -2 3 398.451 0.454 20 0 GCADHL O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccccc1-c1nnn[n-]1 ZINC000823612868 606872862 /nfs/dbraw/zinc/87/28/62/606872862.db2.gz FKHYHDDTKWENNG-UHFFFAOYSA-N -2 3 391.434 0.997 20 0 GCADHL O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccccc1-c1nn[n-]n1 ZINC000823612868 606872864 /nfs/dbraw/zinc/87/28/64/606872864.db2.gz FKHYHDDTKWENNG-UHFFFAOYSA-N -2 3 391.434 0.997 20 0 GCADHL Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000822463020 606888855 /nfs/dbraw/zinc/88/88/55/606888855.db2.gz MMHYZONQYGNAFM-VIFPVBQESA-N -2 3 396.383 0.338 20 0 GCADHL NC(=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859096 606892784 /nfs/dbraw/zinc/89/27/84/606892784.db2.gz FMYBURJKHLUEEM-APPZFPTMSA-N -2 3 386.384 0.467 20 0 GCADHL O=C1C[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CN1C1CC1 ZINC000823521355 606894868 /nfs/dbraw/zinc/89/48/68/606894868.db2.gz VOIOLFYDCZFLRY-QMMMGPOBSA-N -2 3 384.368 0.187 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820450068 607018896 /nfs/dbraw/zinc/01/88/96/607018896.db2.gz GQIOBCWTKBCAAX-MFKMUULPSA-N -2 3 396.429 0.108 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]O[C@H]1CCCCO1 ZINC000820450068 607018897 /nfs/dbraw/zinc/01/88/97/607018897.db2.gz GQIOBCWTKBCAAX-MFKMUULPSA-N -2 3 396.429 0.108 20 0 GCADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000821942133 607026816 /nfs/dbraw/zinc/02/68/16/607026816.db2.gz LKNLZHAMBCXVQQ-UHFFFAOYSA-N -2 3 386.440 0.528 20 0 GCADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000822225292 607123087 /nfs/dbraw/zinc/12/30/87/607123087.db2.gz WYEJTOCFFUBXRJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1ccc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000822225292 607123088 /nfs/dbraw/zinc/12/30/88/607123088.db2.gz WYEJTOCFFUBXRJ-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc(C(=O)[O-])c1C ZINC000822211526 607155670 /nfs/dbraw/zinc/15/56/70/607155670.db2.gz CRVHRHQSJDKGMQ-UHFFFAOYSA-N -3 3 377.386 0.716 20 0 GCADHL Cn1c2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)ccc2[nH]c1=O ZINC000826354523 607776684 /nfs/dbraw/zinc/77/66/84/607776684.db2.gz IQHYPOWIKDYAQO-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL Cn1c2cc(C(=O)[N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)ccc2[nH]c1=O ZINC000826354523 607776685 /nfs/dbraw/zinc/77/66/85/607776685.db2.gz IQHYPOWIKDYAQO-UHFFFAOYSA-N -2 3 399.392 0.578 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824047249 607923321 /nfs/dbraw/zinc/92/33/21/607923321.db2.gz ZANYIFWPEZCIGH-LLVKDONJSA-N -2 3 379.442 0.875 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824047249 607923322 /nfs/dbraw/zinc/92/33/22/607923322.db2.gz ZANYIFWPEZCIGH-LLVKDONJSA-N -2 3 379.442 0.875 20 0 GCADHL CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826227850 608001128 /nfs/dbraw/zinc/00/11/28/608001128.db2.gz YPIVWWJIDKUGGM-QUBYGPBYSA-N -2 3 379.414 0.536 20 0 GCADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000824384954 608009734 /nfs/dbraw/zinc/00/97/34/608009734.db2.gz IMGCGZMIYQFKRG-LURJTMIESA-N -2 3 390.219 0.771 20 0 GCADHL C[C@@H](CC(=O)[O-])NS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000824384954 608009735 /nfs/dbraw/zinc/00/97/35/608009735.db2.gz IMGCGZMIYQFKRG-LURJTMIESA-N -2 3 390.219 0.771 20 0 GCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000826461495 608010948 /nfs/dbraw/zinc/01/09/48/608010948.db2.gz XHOQXEMEBUOGSF-ZETCQYMHSA-N -2 3 391.331 0.981 20 0 GCADHL O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000826461495 608010949 /nfs/dbraw/zinc/01/09/49/608010949.db2.gz XHOQXEMEBUOGSF-ZETCQYMHSA-N -2 3 391.331 0.981 20 0 GCADHL C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000824052752 608011012 /nfs/dbraw/zinc/01/10/12/608011012.db2.gz RAZZZPFJPQUFMS-LURJTMIESA-N -2 3 379.320 0.979 20 0 GCADHL O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826461328 608011795 /nfs/dbraw/zinc/01/17/95/608011795.db2.gz PUAAIWJRYALFRD-ZDUSSCGKSA-N -2 3 391.384 0.980 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825486395 608101851 /nfs/dbraw/zinc/10/18/51/608101851.db2.gz QTJUSQBAPOIZRP-UHFFFAOYSA-N -2 3 381.414 0.569 20 0 GCADHL CCOC(=O)C(C)(C)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825486395 608101852 /nfs/dbraw/zinc/10/18/52/608101852.db2.gz QTJUSQBAPOIZRP-UHFFFAOYSA-N -2 3 381.414 0.569 20 0 GCADHL NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000826393941 608416153 /nfs/dbraw/zinc/41/61/53/608416153.db2.gz QFRFIMMATXXWRH-UHFFFAOYSA-N -2 3 385.369 0.038 20 0 GCADHL NC(=O)c1[nH]nc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000826393941 608416155 /nfs/dbraw/zinc/41/61/55/608416155.db2.gz QFRFIMMATXXWRH-UHFFFAOYSA-N -2 3 385.369 0.038 20 0 GCADHL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825760330 608452991 /nfs/dbraw/zinc/45/29/91/608452991.db2.gz VFNJBWPZVZFGBQ-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL CCc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825760330 608452992 /nfs/dbraw/zinc/45/29/92/608452992.db2.gz VFNJBWPZVZFGBQ-UHFFFAOYSA-N -2 3 395.832 0.935 20 0 GCADHL O=C([N-]OC1CCCC1)C(=O)Nc1ncn(Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826449736 608474113 /nfs/dbraw/zinc/47/41/13/608474113.db2.gz HUUFPPBOQUNNDO-UHFFFAOYSA-N -2 3 397.399 0.435 20 0 GCADHL O=C([N-]OC1CCCC1)C(=O)Nc1ncn(Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826449736 608474115 /nfs/dbraw/zinc/47/41/15/608474115.db2.gz HUUFPPBOQUNNDO-UHFFFAOYSA-N -2 3 397.399 0.435 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[N-]OC1CCCC1 ZINC000824641381 608475844 /nfs/dbraw/zinc/47/58/44/608475844.db2.gz VEEZJFLUIYJGIX-SNVBAGLBSA-N -2 3 380.430 0.524 20 0 GCADHL C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[N-]OC1CCCC1 ZINC000824641381 608475845 /nfs/dbraw/zinc/47/58/45/608475845.db2.gz VEEZJFLUIYJGIX-SNVBAGLBSA-N -2 3 380.430 0.524 20 0 GCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825658723 608819830 /nfs/dbraw/zinc/81/98/30/608819830.db2.gz JLIDGNWYRVMWFM-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL CCOc1cccnc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825658723 608819834 /nfs/dbraw/zinc/81/98/34/608819834.db2.gz JLIDGNWYRVMWFM-UHFFFAOYSA-N -2 3 388.409 0.920 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1CSCCS1 ZINC000826449808 609139665 /nfs/dbraw/zinc/13/96/65/609139665.db2.gz KPSUFAXGCPDCSO-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1CSCCS1 ZINC000826449808 609139667 /nfs/dbraw/zinc/13/96/67/609139667.db2.gz KPSUFAXGCPDCSO-NSHDSACASA-N -2 3 385.496 0.661 20 0 GCADHL C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824738138 609160720 /nfs/dbraw/zinc/16/07/20/609160720.db2.gz MGRNFLYDKNEIPG-GXFFZTMASA-N -2 3 381.414 0.259 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826068670 609258946 /nfs/dbraw/zinc/25/89/46/609258946.db2.gz VTSLEEOYXZKGGV-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL CNC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826068670 609258947 /nfs/dbraw/zinc/25/89/47/609258947.db2.gz VTSLEEOYXZKGGV-UHFFFAOYSA-N -2 3 386.393 0.345 20 0 GCADHL Cn1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)n1 ZINC000826363307 609274170 /nfs/dbraw/zinc/27/41/70/609274170.db2.gz GTWLKQMBYFUQKB-UHFFFAOYSA-N -2 3 389.376 0.726 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824747247 609365848 /nfs/dbraw/zinc/36/58/48/609365848.db2.gz ZKZJSESMQKNHEY-QWRGUYRKSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824747247 609365850 /nfs/dbraw/zinc/36/58/50/609365850.db2.gz ZKZJSESMQKNHEY-QWRGUYRKSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824747252 609366203 /nfs/dbraw/zinc/36/62/03/609366203.db2.gz ZKZJSESMQKNHEY-WDEREUQCSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000824747252 609366205 /nfs/dbraw/zinc/36/62/05/609366205.db2.gz ZKZJSESMQKNHEY-WDEREUQCSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824280375 609398558 /nfs/dbraw/zinc/39/85/58/609398558.db2.gz LBSGXAYXFFAYTP-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL CC(C)Cn1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824280375 609398561 /nfs/dbraw/zinc/39/85/61/609398561.db2.gz LBSGXAYXFFAYTP-UHFFFAOYSA-N -2 3 375.414 0.838 20 0 GCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1-n1cnnn1 ZINC000826291794 609451728 /nfs/dbraw/zinc/45/17/28/609451728.db2.gz WJTZYDZCWOSYNB-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1-n1cnnn1 ZINC000826291794 609451729 /nfs/dbraw/zinc/45/17/29/609451729.db2.gz WJTZYDZCWOSYNB-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL O=C1C[C@@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CN1C1CC1 ZINC000826479328 609585913 /nfs/dbraw/zinc/58/59/13/609585913.db2.gz WQZRPFBHPZNIOC-QMMMGPOBSA-N -2 3 398.395 0.434 20 0 GCADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)c2csc(N3CCOCC3)n2)c1 ZINC000047215169 638470998 /nfs/dbraw/zinc/47/09/98/638470998.db2.gz FXSPTNQCGDEYQY-UHFFFAOYSA-N -2 3 382.467 0.911 20 0 GCADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)N2CCc3sccc3C2)c(=O)[n-]1 ZINC000729898803 639202104 /nfs/dbraw/zinc/20/21/04/639202104.db2.gz KHCPSPNDEXFCLA-UHFFFAOYSA-N -2 3 382.467 0.822 20 0 GCADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] ZINC000899931928 639277637 /nfs/dbraw/zinc/27/76/37/639277637.db2.gz VEDMASRZPLQREQ-YFKPBYRVSA-N -2 3 391.208 0.731 20 0 GCADHL CCCOc1ccc(S(=O)(=O)[N-][N-]C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000057124848 639593155 /nfs/dbraw/zinc/59/31/55/639593155.db2.gz HEUMZQMNOVDGRV-NSHDSACASA-N -2 3 391.471 0.155 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)c2ncccc12)[C@H]1CCS(=O)(=O)C1 ZINC000032589105 639810146 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/nfs/dbraw/zinc/47/50/34/1200475034.db2.gz ZIXWRISKGNFGFB-JTQLQIEISA-N -2 3 389.430 0.050 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2C)c1 ZINC000788692586 1205428112 /nfs/dbraw/zinc/42/81/12/1205428112.db2.gz FCWMJQYLAOTQTR-ZDUSSCGKSA-N -2 3 385.373 0.758 20 0 GCADHL CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001177705452 1205774981 /nfs/dbraw/zinc/77/49/81/1205774981.db2.gz SPNIVEFKTZNIGJ-LBPRGKRZSA-N -2 3 390.377 0.851 20 0 GCADHL COC[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nnn[n-]1 ZINC001177829452 1205777562 /nfs/dbraw/zinc/77/75/62/1205777562.db2.gz YMCWTKJWBAOZBJ-NSHDSACASA-N -2 3 393.201 0.921 20 0 GCADHL CC(C)(C)c1nnc([N-]C(=O)c2cc3n(n2)CCCN(CC(=O)[O-])C3=O)o1 ZINC001178365481 1205786579 /nfs/dbraw/zinc/78/65/79/1205786579.db2.gz AQLZLFBMWZRYGE-UHFFFAOYSA-N -2 3 376.373 0.746 20 0 GCADHL CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178748829 1205793651 /nfs/dbraw/zinc/79/36/51/1205793651.db2.gz GZEOGYRBURRAPB-VXGBXAGGSA-N -2 3 380.378 0.678 20 0 GCADHL COCCOCCOCCOCC[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176923 1205818149 /nfs/dbraw/zinc/81/81/49/1205818149.db2.gz RZJNYGNWFAXNQK-UHFFFAOYSA-N -2 3 379.303 0.154 20 0 GCADHL C[C@H](C(=O)NCCCCP(=O)([O-])[O-])N(c1ccccc1)S(C)(=O)=O ZINC001182101405 1205857267 /nfs/dbraw/zinc/85/72/67/1205857267.db2.gz RKJQYNZDPBLXLI-GFCCVEGCSA-N -2 3 378.387 0.915 20 0 GCADHL COCCOc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185566913 1205924423 /nfs/dbraw/zinc/92/44/23/1205924423.db2.gz TTZXDEVTNKKOLJ-UHFFFAOYSA-N -2 3 377.386 0.483 20 0 GCADHL COCCOc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185566913 1205924424 /nfs/dbraw/zinc/92/44/24/1205924424.db2.gz TTZXDEVTNKKOLJ-UHFFFAOYSA-N -2 3 377.386 0.483 20 0 GCADHL CN(CC(=O)Nc1nc(F)cc(C(F)(F)F)c1F)C(N)=NP(=O)([O-])[O-] ZINC001185654171 1205926577 /nfs/dbraw/zinc/92/65/77/1205926577.db2.gz NMSBFCWHONCFIY-UHFFFAOYSA-N -2 3 391.193 0.866 20 0 GCADHL O=C(CCCCNC(=O)c1cc2ccc([O-])cc2oc1=O)NCc1nnn[n-]1 ZINC001186767732 1205947939 /nfs/dbraw/zinc/94/79/39/1205947939.db2.gz JHHREKUVOHJPKQ-UHFFFAOYSA-N -2 3 386.368 0.228 20 0 GCADHL O=C(CCCCNC(=O)c1cc2ccc([O-])cc2oc1=O)NCc1nn[n-]n1 ZINC001186767732 1205947940 /nfs/dbraw/zinc/94/79/40/1205947940.db2.gz JHHREKUVOHJPKQ-UHFFFAOYSA-N -2 3 386.368 0.228 20 0 GCADHL COc1cc(S(N)(=O)=O)cc(C(=O)NCCCCP(=O)([O-])[O-])c1OC ZINC001189569816 1206011601 /nfs/dbraw/zinc/01/16/01/1206011601.db2.gz PDSUIWIYISNUKW-UHFFFAOYSA-N -2 3 396.358 0.039 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737916542 945150952 /nfs/dbraw/zinc/15/09/52/945150952.db2.gz WLOJSSOXRBZFRY-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737916542 945150956 /nfs/dbraw/zinc/15/09/56/945150956.db2.gz WLOJSSOXRBZFRY-UHFFFAOYSA-N -2 3 381.414 0.008 20 0 GCADHL CCO[C@H]1C[C@](NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)(C(=O)[O-])C1(C)C ZINC000262695659 939065699 /nfs/dbraw/zinc/06/56/99/939065699.db2.gz DMYHBHQEIFKECF-ZBEGNZNMSA-N -2 3 388.442 0.884 20 0 GCADHL COC(=O)C1CCC(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)(C(=O)[O-])CC1 ZINC000573307955 939406684 /nfs/dbraw/zinc/40/66/84/939406684.db2.gz LXURRZYRXCWDLF-UHFFFAOYSA-N -2 3 389.364 0.878 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)n(C)n1 ZINC000820187599 945369397 /nfs/dbraw/zinc/36/93/97/945369397.db2.gz IZLRCSZHIDGMTN-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)n(C)n1 ZINC000820187599 945369409 /nfs/dbraw/zinc/36/94/09/945369409.db2.gz IZLRCSZHIDGMTN-UHFFFAOYSA-N -2 3 389.441 0.983 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000822528235 946114089 /nfs/dbraw/zinc/11/40/89/946114089.db2.gz XYCRERCTIUXCNQ-UHFFFAOYSA-N -2 3 377.386 0.304 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000822528235 946114094 /nfs/dbraw/zinc/11/40/94/946114094.db2.gz XYCRERCTIUXCNQ-UHFFFAOYSA-N -2 3 377.386 0.304 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000822528058 946114417 /nfs/dbraw/zinc/11/44/17/946114417.db2.gz QXTFZVCGLNJOQA-UHFFFAOYSA-N -2 3 397.804 0.649 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000822528058 946114424 /nfs/dbraw/zinc/11/44/24/946114424.db2.gz QXTFZVCGLNJOQA-UHFFFAOYSA-N -2 3 397.804 0.649 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000823999985 946538078 /nfs/dbraw/zinc/53/80/78/946538078.db2.gz PSRIAAOVKZBJBC-UHFFFAOYSA-N -2 3 375.370 0.272 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000823999985 946538088 /nfs/dbraw/zinc/53/80/88/946538088.db2.gz PSRIAAOVKZBJBC-UHFFFAOYSA-N -2 3 375.370 0.272 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866883 946960716 /nfs/dbraw/zinc/96/07/16/946960716.db2.gz NXJIPYFOVAPNQK-GXFFZTMASA-N -2 3 377.426 0.818 20 0 GCADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866883 946960723 /nfs/dbraw/zinc/96/07/23/946960723.db2.gz NXJIPYFOVAPNQK-GXFFZTMASA-N -2 3 377.426 0.818 20 0 GCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](c1cccs1)N1CCOCC1 ZINC000326869835 971338253 /nfs/dbraw/zinc/33/82/53/971338253.db2.gz YKUMCHIRMFGCTL-NSHDSACASA-N -2 3 386.455 0.521 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825759476 947321974 /nfs/dbraw/zinc/32/19/74/947321974.db2.gz IWUCKAGJQLSHGN-UHFFFAOYSA-N -2 3 375.414 0.590 20 0 GCADHL CCc1nn(C)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825759476 947321988 /nfs/dbraw/zinc/32/19/88/947321988.db2.gz IWUCKAGJQLSHGN-UHFFFAOYSA-N -2 3 375.414 0.590 20 0 GCADHL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc21 ZINC000826034662 947413370 /nfs/dbraw/zinc/41/33/70/947413370.db2.gz UVPXROJWAYRJQW-UHFFFAOYSA-N -2 3 387.425 0.696 20 0 GCADHL CN1CCCc2ccc(S(=O)(=O)[N-]C(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc21 ZINC000826034662 947413375 /nfs/dbraw/zinc/41/33/75/947413375.db2.gz UVPXROJWAYRJQW-UHFFFAOYSA-N -2 3 387.425 0.696 20 0 GCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3-c3nn[n-]n3)cc2n(C)c1=O ZINC000826354551 948105957 /nfs/dbraw/zinc/10/59/57/948105957.db2.gz JWWJCKMGABUKIE-UHFFFAOYSA-N -2 3 385.409 0.858 20 0 GCADHL O=C([O-])c1cccc2c1OCCN2S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000367215770 971548561 /nfs/dbraw/zinc/54/85/61/971548561.db2.gz MRYBYIFXQIBJAS-UHFFFAOYSA-N -2 3 388.357 0.856 20 0 GCADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001589596343 949148039 /nfs/dbraw/zinc/14/80/39/949148039.db2.gz LCCBUVPWEGQPBZ-CQSZACIVSA-N -2 3 388.218 0.815 20 0 GCADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)C1 ZINC001589596342 949148233 /nfs/dbraw/zinc/14/82/33/949148233.db2.gz LCCBUVPWEGQPBZ-AWEZNQCLSA-N -2 3 388.218 0.815 20 0 GCADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F ZINC000376783906 971565336 /nfs/dbraw/zinc/56/53/36/971565336.db2.gz BBFOQANPBBHLCP-LBPRGKRZSA-N -2 3 388.417 0.828 20 0 GCADHL C[C@@H]1[C@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900311 950194103 /nfs/dbraw/zinc/19/41/03/950194103.db2.gz DNUUIADYANEYLR-NXEZZACHSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001575900312 950194601 /nfs/dbraw/zinc/19/46/01/950194601.db2.gz DNUUIADYANEYLR-UWVGGRQHSA-N -2 3 382.384 0.328 20 0 GCADHL O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)c(-c3nnn[n-]3)c1)C2 ZINC001595192412 952289765 /nfs/dbraw/zinc/28/97/65/952289765.db2.gz NJDHBKVDDWZXBX-RTHLEPHNSA-N -2 3 399.816 0.242 20 0 GCADHL O=C([O-])[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(Cl)c(-c3nn[n-]n3)c1)C2 ZINC001595192412 952289770 /nfs/dbraw/zinc/28/97/70/952289770.db2.gz NJDHBKVDDWZXBX-RTHLEPHNSA-N -2 3 399.816 0.242 20 0 GCADHL Cc1cncc(CC[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC001571170184 952784010 /nfs/dbraw/zinc/78/40/10/952784010.db2.gz FQMSTWJYGIAZHC-UHFFFAOYSA-N -2 3 381.368 0.764 20 0 GCADHL CN(c1nccnc1-c1nnn[n-]1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001571174635 952812036 /nfs/dbraw/zinc/81/20/36/952812036.db2.gz CKDRULXMGSABAV-UHFFFAOYSA-N -2 3 381.400 0.498 20 0 GCADHL CN(c1nccnc1-c1nn[n-]n1)C1CCN(C(=O)c2ncccc2[O-])CC1 ZINC001571174635 952812038 /nfs/dbraw/zinc/81/20/38/952812038.db2.gz CKDRULXMGSABAV-UHFFFAOYSA-N -2 3 381.400 0.498 20 0 GCADHL Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174794 952813848 /nfs/dbraw/zinc/81/38/48/952813848.db2.gz IITGWGRKIOIHHU-LLVKDONJSA-N -2 3 381.400 0.322 20 0 GCADHL Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](CNC(=O)c3ncccc3[O-])C2)n1 ZINC001571174794 952813858 /nfs/dbraw/zinc/81/38/58/952813858.db2.gz IITGWGRKIOIHHU-LLVKDONJSA-N -2 3 381.400 0.322 20 0 GCADHL O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571175679 952825199 /nfs/dbraw/zinc/82/51/99/952825199.db2.gz DZZMLDBQECMNAI-QWRGUYRKSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@H]1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571175679 952825206 /nfs/dbraw/zinc/82/52/06/952825206.db2.gz DZZMLDBQECMNAI-QWRGUYRKSA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@H]1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1)c1ncccc1[O-] ZINC001571176150 952829293 /nfs/dbraw/zinc/82/92/93/952829293.db2.gz MSTBBXXUILJDBJ-MNOVXSKESA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@H]1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)c1ncccc1[O-] ZINC001571176150 952829300 /nfs/dbraw/zinc/82/93/00/952829300.db2.gz MSTBBXXUILJDBJ-MNOVXSKESA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1)c1ncccc1[O-] ZINC001571176164 952829338 /nfs/dbraw/zinc/82/93/38/952829338.db2.gz MZPCLFRGYSLOAA-LLVKDONJSA-N -2 3 381.400 0.546 20 0 GCADHL O=C(c1ncccc1[O-])N1CCCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001571178312 952839513 /nfs/dbraw/zinc/83/95/13/952839513.db2.gz FVFOHBKNAQRXHQ-NSHDSACASA-N -2 3 381.400 0.286 20 0 GCADHL C[C@H]1[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194851 952969614 /nfs/dbraw/zinc/96/96/14/952969614.db2.gz SXNQTQDPRVLHGD-VHSXEESVSA-N -2 3 382.384 0.328 20 0 GCADHL O=C(N[C@H]1CCCN(c2ncc(-c3nnn[n-]3)cc2F)C1)c1ncccc1[O-] ZINC001571235600 953213485 /nfs/dbraw/zinc/21/34/85/953213485.db2.gz KNHNVBJZRGHOSR-NSHDSACASA-N -2 3 384.375 0.900 20 0 GCADHL O=C(N[C@H]1CCCN(c2ncc(-c3nn[n-]n3)cc2F)C1)c1ncccc1[O-] ZINC001571235600 953213487 /nfs/dbraw/zinc/21/34/87/953213487.db2.gz KNHNVBJZRGHOSR-NSHDSACASA-N -2 3 384.375 0.900 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571238789 953232655 /nfs/dbraw/zinc/23/26/55/953232655.db2.gz MRPGUQNGSJVFDR-UWVGGRQHSA-N -2 3 384.404 0.547 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239273 953237729 /nfs/dbraw/zinc/23/77/29/953237729.db2.gz RXMWXXXPHVDEKK-SNVBAGLBSA-N -2 3 384.404 0.101 20 0 GCADHL Cc1n[nH]c(C(=O)NC[C@H]2CCCN2c2nc(C)cc(-c3nn[n-]n3)n2)c1[O-] ZINC001571239273 953237732 /nfs/dbraw/zinc/23/77/32/953237732.db2.gz RXMWXXXPHVDEKK-SNVBAGLBSA-N -2 3 384.404 0.101 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571239484 953239228 /nfs/dbraw/zinc/23/92/28/953239228.db2.gz VJFBJCXWIYCQFC-PSASIEDQSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2CC[C@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571239486 953239759 /nfs/dbraw/zinc/23/97/59/953239759.db2.gz VJFBJCXWIYCQFC-WCBMZHEXSA-N -2 3 384.404 0.181 20 0 GCADHL CN(C)[S@@](=O)(=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1)c1ccccc1 ZINC001593703597 954141660 /nfs/dbraw/zinc/14/16/60/954141660.db2.gz GATLDABAQMXPGO-ZLOXQWCVSA-N -2 3 377.444 0.068 20 0 GCADHL O=C([O-])c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000669430267 954568772 /nfs/dbraw/zinc/56/87/72/954568772.db2.gz ZAXVDLJLAIEVPV-UHFFFAOYSA-N -2 3 385.348 0.766 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001594503021 955340289 /nfs/dbraw/zinc/34/02/89/955340289.db2.gz TZMHFEDAROJWJC-JFUSQASVSA-N -2 3 387.458 0.821 20 0 GCADHL Cn1ncc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])c1Br ZINC001594586394 956002178 /nfs/dbraw/zinc/00/21/78/956002178.db2.gz LHCVTMMOGAXGEG-SECBINFHSA-N -2 3 389.231 0.552 20 0 GCADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)C1 ZINC001594736850 957078257 /nfs/dbraw/zinc/07/82/57/957078257.db2.gz AXNUUFRFLYCLSQ-CYBMUJFWSA-N -2 3 389.408 0.046 20 0 GCADHL CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000917716177 957095191 /nfs/dbraw/zinc/09/51/91/957095191.db2.gz BSFLXNBVMYPGCE-LBPRGKRZSA-N -2 3 381.410 0.869 20 0 GCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(N3C[C@@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001573355964 958577480 /nfs/dbraw/zinc/57/74/80/958577480.db2.gz IUDVFALUTCYGQX-LBPRGKRZSA-N -2 3 389.408 0.888 20 0 GCADHL C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NS(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC001603250948 972425363 /nfs/dbraw/zinc/42/53/63/972425363.db2.gz UKBVOQBSKIHVDL-VWYCJHECSA-N -2 3 386.430 0.134 20 0 GCADHL C[C@](O)(C[N-]S(=O)(=O)c1ccc(I)s1)C(=O)[O-] 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CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000547611046 531101513 /nfs/dbraw/zinc/10/15/13/531101513.db2.gz AWJIQRLRWKTMOA-PWSUYJOCSA-N -3 3 398.434 0.090 20 0 GCADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)[O-] ZINC000547615721 531101619 /nfs/dbraw/zinc/10/16/19/531101619.db2.gz SHHHWCKMCUBMPP-ZANVPECISA-N -2 3 394.833 0.097 20 0 GCADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1 ZINC000537501987 531071515 /nfs/dbraw/zinc/07/15/15/531071515.db2.gz QBZIGVHSJGTRRP-UHFFFAOYSA-N -2 3 386.411 0.058 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](Cn2cc(C)cn2)C(=O)[O-])s1 ZINC000547881324 531105304 /nfs/dbraw/zinc/10/53/04/531105304.db2.gz BGUISKLZYBYDCR-GFCCVEGCSA-N -2 3 386.455 0.321 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(C)nn(C)c1C ZINC000547880616 531105309 /nfs/dbraw/zinc/10/53/09/531105309.db2.gz SYEHTUAWQJSQMX-NSHDSACASA-N -2 3 388.427 0.384 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-])c1 ZINC000547886044 531105632 /nfs/dbraw/zinc/10/56/32/531105632.db2.gz MVQDLDUPOXTARC-JTQLQIEISA-N -2 3 379.362 0.389 20 0 GCADHL O=C([O-])CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000547893107 531105748 /nfs/dbraw/zinc/10/57/48/531105748.db2.gz XRNMWLWLUGUKHW-GFCCVEGCSA-N -2 3 378.397 0.809 20 0 GCADHL CO[C@@H](CNS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1)C(=O)[O-] ZINC000547899338 531106343 /nfs/dbraw/zinc/10/63/43/531106343.db2.gz RDDCZPRLNYKYTR-LBPRGKRZSA-N -2 3 398.434 0.354 20 0 GCADHL CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CC(=O)[O-])cc1 ZINC000547904241 531106347 /nfs/dbraw/zinc/10/63/47/531106347.db2.gz KZQQXLHJJKZTEV-UHFFFAOYSA-N -2 3 394.471 0.296 20 0 GCADHL C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[C@@H]1C(=O)[O-] ZINC000547916398 531106822 /nfs/dbraw/zinc/10/68/22/531106822.db2.gz VMVDVKFNNIDSGU-PELKAZGASA-N -2 3 380.419 0.681 20 0 GCADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547934843 531108100 /nfs/dbraw/zinc/10/81/00/531108100.db2.gz YDGINYGPCQWYJZ-CQSZACIVSA-N -3 3 377.346 0.456 20 0 GCADHL CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1 ZINC000548196443 531110658 /nfs/dbraw/zinc/11/06/58/531110658.db2.gz KCWVVVURZXQSLA-SNVBAGLBSA-N -2 3 379.362 0.125 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H]2CCOC2)s1 ZINC000548208228 531111116 /nfs/dbraw/zinc/11/11/16/531111116.db2.gz SHBDWMKKTVWUHO-XVKPBYJWSA-N -2 3 379.412 0.311 20 0 GCADHL O=C([O-])[C@@H](Cn1ccc(C(F)(F)F)n1)[N-]S(=O)(=O)c1cncc(F)c1 ZINC000548207004 531111291 /nfs/dbraw/zinc/11/12/91/531111291.db2.gz DMNQUSNBTBUHBX-SECBINFHSA-N -2 3 382.295 0.868 20 0 GCADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c1 ZINC000548208216 531111530 /nfs/dbraw/zinc/11/15/30/531111530.db2.gz ZOVAVQHBIUBGFA-UHFFFAOYSA-N -2 3 375.374 0.772 20 0 GCADHL COC(=O)c1nscc1S(=O)(=O)[N-][C@@H](Cn1nc(C)cc1C)C(=O)[O-] ZINC000548208121 531111649 /nfs/dbraw/zinc/11/16/49/531111649.db2.gz WVKGICSLBVIWRN-VIFPVBQESA-N -2 3 388.427 0.175 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(C(=O)OC)s1 ZINC000548242971 531112387 /nfs/dbraw/zinc/11/23/87/531112387.db2.gz YOTJKBHEXWWCQO-JTQLQIEISA-N -2 3 391.423 0.853 20 0 GCADHL NC(=O)COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000548264956 531113644 /nfs/dbraw/zinc/11/36/44/531113644.db2.gz YKKYJJQUBQAUOY-ZDUSSCGKSA-N -2 3 376.818 0.736 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](CO)O2)c(F)c1 ZINC000431599353 531117027 /nfs/dbraw/zinc/11/70/27/531117027.db2.gz GELYPDMIKKCDEV-MNOVXSKESA-N -2 3 382.435 0.015 20 0 GCADHL CCS(=O)(=O)NCCc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])s1 ZINC000548527642 531117519 /nfs/dbraw/zinc/11/75/19/531117519.db2.gz SZUMFQRFOWGXQU-SECBINFHSA-N -2 3 384.501 0.229 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC000548531243 531118051 /nfs/dbraw/zinc/11/80/51/531118051.db2.gz YGNKEIIYBLTIBS-MRVPVSSYSA-N -3 3 390.361 0.584 20 0 GCADHL CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)C ZINC000432293599 531121987 /nfs/dbraw/zinc/12/19/87/531121987.db2.gz JLCURIGOAQGNSO-ZDUSSCGKSA-N -2 3 395.478 0.636 20 0 GCADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-][C@H](COC)C(=O)[O-])c1OC ZINC000551914080 531139977 /nfs/dbraw/zinc/13/99/77/531139977.db2.gz PEKCXDGBWFLPMZ-SECBINFHSA-N -2 3 380.806 0.086 20 0 GCADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(=O)[O-])C1CC1 ZINC000548868124 531123668 /nfs/dbraw/zinc/12/36/68/531123668.db2.gz SMFWODRADGIKJI-SDBXPKJASA-N -3 3 394.446 0.975 20 0 GCADHL CC[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000548990686 531124759 /nfs/dbraw/zinc/12/47/59/531124759.db2.gz BUMSLNITOVXTRS-WDEREUQCSA-N -2 3 376.456 0.469 20 0 GCADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cccc1S(N)(=O)=O ZINC000433526244 531130192 /nfs/dbraw/zinc/13/01/92/531130192.db2.gz AJJWXVQIKJIYCG-UHFFFAOYSA-N -3 3 386.407 0.847 20 0 GCADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2coc(S(=O)(=O)[N-]C)c2)c1 ZINC000550287235 531131550 /nfs/dbraw/zinc/13/15/50/531131550.db2.gz IYQLZSZGLYZJEN-UHFFFAOYSA-N -2 3 388.423 0.939 20 0 GCADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCOCC(=O)[O-] ZINC000263498016 531132350 /nfs/dbraw/zinc/13/23/50/531132350.db2.gz YIEWMZMDGVNMRU-CQSZACIVSA-N -2 3 376.406 0.346 20 0 GCADHL CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000677318221 531145594 /nfs/dbraw/zinc/14/55/94/531145594.db2.gz YLKWZOKREQBFIR-LBPRGKRZSA-N -2 3 395.478 0.636 20 0 GCADHL Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436982865 531147452 /nfs/dbraw/zinc/14/74/52/531147452.db2.gz VOEJKGWSCGNFNI-UHFFFAOYSA-N -2 3 385.423 0.140 20 0 GCADHL Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CCC(N)=O)C(=O)[O-] ZINC000629291382 531161390 /nfs/dbraw/zinc/16/13/90/531161390.db2.gz DMKWNHDJLGOQIF-VIFPVBQESA-N -2 3 397.222 0.894 20 0 GCADHL O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000554530847 531163138 /nfs/dbraw/zinc/16/31/38/531163138.db2.gz NDUDTGOXAUUOHS-VIFPVBQESA-N -2 3 375.200 0.721 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)CCOCC(F)(F)F ZINC000555122564 531166867 /nfs/dbraw/zinc/16/68/67/531166867.db2.gz VKSDNKNVUKICPV-UHFFFAOYSA-N -2 3 388.320 0.909 20 0 GCADHL CC[C@@H](CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1)C(=O)[O-] ZINC000681570871 531167169 /nfs/dbraw/zinc/16/71/69/531167169.db2.gz JDFDFKAOURWKKS-VIFPVBQESA-N -2 3 382.435 0.976 20 0 GCADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])cnc2c1Cl ZINC000681562768 531167479 /nfs/dbraw/zinc/16/74/79/531167479.db2.gz DKWJBBLCIVPAIJ-MRVPVSSYSA-N -3 3 376.778 0.287 20 0 GCADHL CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C1CC1 ZINC000555374512 531169066 /nfs/dbraw/zinc/16/90/66/531169066.db2.gz IPAYRXJTPHEQLK-NSHDSACASA-N -2 3 376.456 0.611 20 0 GCADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-] ZINC000566020108 531193377 /nfs/dbraw/zinc/19/33/77/531193377.db2.gz CWYHESKRMOFGDH-NSHDSACASA-N -2 3 386.195 0.711 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H](O)COCC2CC2)c(F)c1 ZINC000443211818 531198356 /nfs/dbraw/zinc/19/83/56/531198356.db2.gz LJQBIRHFAXKDIN-GFCCVEGCSA-N -2 3 396.462 0.263 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1COc2ccccc21 ZINC000738140399 598856217 /nfs/dbraw/zinc/85/62/17/598856217.db2.gz UMAJBZNQXDIYFR-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1COc2ccccc21 ZINC000738140399 598856218 /nfs/dbraw/zinc/85/62/18/598856218.db2.gz UMAJBZNQXDIYFR-AWEZNQCLSA-N -2 3 385.405 0.989 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000736929964 598910030 /nfs/dbraw/zinc/91/00/30/598910030.db2.gz CEYFOIRXRMLHSV-UHFFFAOYSA-N -2 3 398.401 0.979 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000736929964 598910033 /nfs/dbraw/zinc/91/00/33/598910033.db2.gz CEYFOIRXRMLHSV-UHFFFAOYSA-N -2 3 398.401 0.979 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnc1-n1cncn1 ZINC000737300719 598931716 /nfs/dbraw/zinc/93/17/16/598931716.db2.gz FANKADVMZSPDQO-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000737299065 598975367 /nfs/dbraw/zinc/97/53/67/598975367.db2.gz PMEUHOXZCDYAHB-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CNC(=O)CCC(C)C ZINC000737299065 598975369 /nfs/dbraw/zinc/97/53/69/598975369.db2.gz PMEUHOXZCDYAHB-UHFFFAOYSA-N -2 3 394.457 0.532 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000737300495 598975472 /nfs/dbraw/zinc/97/54/72/598975472.db2.gz ZKAKIUDELCORHM-UHFFFAOYSA-N -2 3 388.409 0.232 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCn1ccccc1=O ZINC000737300495 598975474 /nfs/dbraw/zinc/97/54/74/598975474.db2.gz ZKAKIUDELCORHM-UHFFFAOYSA-N -2 3 388.409 0.232 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC000735467083 598976016 /nfs/dbraw/zinc/97/60/16/598976016.db2.gz YKULUGHHDAFPFC-CYBMUJFWSA-N -2 3 392.441 0.239 20 0 GCADHL CC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC000735467083 598976018 /nfs/dbraw/zinc/97/60/18/598976018.db2.gz YKULUGHHDAFPFC-CYBMUJFWSA-N -2 3 392.441 0.239 20 0 GCADHL Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737300073 598976966 /nfs/dbraw/zinc/97/69/66/598976966.db2.gz WASSSTOPKGVTRJ-UHFFFAOYSA-N -2 3 395.832 0.989 20 0 GCADHL Cc1nn(C)c(Cl)c1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737300073 598976968 /nfs/dbraw/zinc/97/69/68/598976968.db2.gz WASSSTOPKGVTRJ-UHFFFAOYSA-N -2 3 395.832 0.989 20 0 GCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)no1 ZINC000737278258 598977917 /nfs/dbraw/zinc/97/79/17/598977917.db2.gz HHUZJARNLWFLGH-UHFFFAOYSA-N -2 3 378.370 0.355 20 0 GCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000737278258 598977919 /nfs/dbraw/zinc/97/79/19/598977919.db2.gz HHUZJARNLWFLGH-UHFFFAOYSA-N -2 3 378.370 0.355 20 0 GCADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737174186 599018712 /nfs/dbraw/zinc/01/87/12/599018712.db2.gz UACMJSAVZQPIOT-DEOSSOPVSA-N -2 3 378.439 0.941 20 0 GCADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000737174186 599018714 /nfs/dbraw/zinc/01/87/14/599018714.db2.gz UACMJSAVZQPIOT-DEOSSOPVSA-N -2 3 378.439 0.941 20 0 GCADHL C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000736230544 599105843 /nfs/dbraw/zinc/10/58/43/599105843.db2.gz STVINTHBCBNGEX-KRWDZBQOSA-N -2 3 378.352 0.374 20 0 GCADHL O=C([O-])[C@H]1CC(C(=O)NCCNC(=O)c2ccc([O-])cc2)=NN1c1ccccc1 ZINC000740441800 596961471 /nfs/dbraw/zinc/96/14/71/596961471.db2.gz NKOBFIPZYGPYOF-QGZVFWFLSA-N -2 3 396.403 0.958 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000737749597 599262553 /nfs/dbraw/zinc/26/25/53/599262553.db2.gz YAVGQADKKYBVTG-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000737749597 599262556 /nfs/dbraw/zinc/26/25/56/599262556.db2.gz YAVGQADKKYBVTG-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL CCCN(C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821087350 607319260 /nfs/dbraw/zinc/31/92/60/607319260.db2.gz ABPJSXQZKJYVDP-UHFFFAOYSA-N -2 3 382.446 0.727 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450669 607779861 /nfs/dbraw/zinc/77/98/61/607779861.db2.gz XYIFDJMGJHCLFR-UHFFFAOYSA-N -2 3 386.353 0.364 20 0 GCADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737855110 598307210 /nfs/dbraw/zinc/30/72/10/598307210.db2.gz ZXDDNMOPMNIQBS-CQSZACIVSA-N -2 3 379.442 0.814 20 0 GCADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000737855110 598307212 /nfs/dbraw/zinc/30/72/12/598307212.db2.gz ZXDDNMOPMNIQBS-CQSZACIVSA-N -2 3 379.442 0.814 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736623656 598331693 /nfs/dbraw/zinc/33/16/93/598331693.db2.gz KLYAMQVURATHKQ-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL CCOCCO[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736623656 598331695 /nfs/dbraw/zinc/33/16/95/598331695.db2.gz KLYAMQVURATHKQ-LLVKDONJSA-N -2 3 383.430 0.254 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cocn1 ZINC000738139025 598332096 /nfs/dbraw/zinc/33/20/96/598332096.db2.gz JVWGVXXCLXALPL-UHFFFAOYSA-N -2 3 388.287 0.992 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cocn1 ZINC000738139025 598332098 /nfs/dbraw/zinc/33/20/98/598332098.db2.gz JVWGVXXCLXALPL-UHFFFAOYSA-N -2 3 388.287 0.992 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000736727067 598412796 /nfs/dbraw/zinc/41/27/96/598412796.db2.gz ARSMHXJEUJCKKN-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736727067 598412797 /nfs/dbraw/zinc/41/27/97/598412797.db2.gz ARSMHXJEUJCKKN-UHFFFAOYSA-N -2 3 375.414 0.819 20 0 GCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000737604037 598415509 /nfs/dbraw/zinc/41/55/09/598415509.db2.gz MFBGXQLMSUKGLH-GORDUTHDSA-N -2 3 393.816 0.772 20 0 GCADHL Cn1cc(C=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000737604037 598415510 /nfs/dbraw/zinc/41/55/10/598415510.db2.gz MFBGXQLMSUKGLH-GORDUTHDSA-N -2 3 393.816 0.772 20 0 GCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000737278673 598416684 /nfs/dbraw/zinc/41/66/84/598416684.db2.gz KYTOQHWOHFCQGV-UHFFFAOYSA-N -2 3 398.788 0.700 20 0 GCADHL Cc1cc(OCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000737278673 598416686 /nfs/dbraw/zinc/41/66/86/598416686.db2.gz KYTOQHWOHFCQGV-UHFFFAOYSA-N -2 3 398.788 0.700 20 0 GCADHL CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC000736633556 598424132 /nfs/dbraw/zinc/42/41/32/598424132.db2.gz CYTBTJWJUKXRRX-UHFFFAOYSA-N -2 3 381.356 0.289 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737760745 598565430 /nfs/dbraw/zinc/56/54/30/598565430.db2.gz RHBGMMPQWRCLJZ-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737760745 598565431 /nfs/dbraw/zinc/56/54/31/598565431.db2.gz RHBGMMPQWRCLJZ-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000737761180 598565455 /nfs/dbraw/zinc/56/54/55/598565455.db2.gz VDXCMYQLPSZPQE-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL NC(=O)c1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000737761180 598565456 /nfs/dbraw/zinc/56/54/56/598565456.db2.gz VDXCMYQLPSZPQE-UHFFFAOYSA-N -2 3 392.422 0.287 20 0 GCADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735475508 598637367 /nfs/dbraw/zinc/63/73/67/598637367.db2.gz WLFPFXWBPUMEMJ-UHFFFAOYSA-N -2 3 387.425 0.741 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736900516 598709221 /nfs/dbraw/zinc/70/92/21/598709221.db2.gz YNYJZZPIUOAYFB-LLVKDONJSA-N -2 3 380.411 0.516 20 0 GCADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736900516 598709223 /nfs/dbraw/zinc/70/92/23/598709223.db2.gz YNYJZZPIUOAYFB-LLVKDONJSA-N -2 3 380.411 0.516 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccs1 ZINC000736900518 598709524 /nfs/dbraw/zinc/70/95/24/598709524.db2.gz YNYJZZPIUOAYFB-NSHDSACASA-N -2 3 380.411 0.516 20 0 GCADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccs1 ZINC000736900518 598709525 /nfs/dbraw/zinc/70/95/25/598709525.db2.gz YNYJZZPIUOAYFB-NSHDSACASA-N -2 3 380.411 0.516 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737799782 598762581 /nfs/dbraw/zinc/76/25/81/598762581.db2.gz WRBQWRAMHGMHST-AATRIKPKSA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737799782 598762582 /nfs/dbraw/zinc/76/25/82/598762582.db2.gz WRBQWRAMHGMHST-AATRIKPKSA-N -2 3 377.426 0.796 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C)nn1C ZINC000737022741 598785694 /nfs/dbraw/zinc/78/56/94/598785694.db2.gz BFJBAXMKKCEEOJ-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL COc1c(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C)nn1C ZINC000737022741 598785696 /nfs/dbraw/zinc/78/56/96/598785696.db2.gz BFJBAXMKKCEEOJ-UHFFFAOYSA-N -2 3 391.413 0.177 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000736932553 598789213 /nfs/dbraw/zinc/78/92/13/598789213.db2.gz OCFQQLYBTQBRJN-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000736932553 598789214 /nfs/dbraw/zinc/78/92/14/598789214.db2.gz OCFQQLYBTQBRJN-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000821663840 599301834 /nfs/dbraw/zinc/30/18/34/599301834.db2.gz QFHATPQAMNBCCV-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000821663840 599301837 /nfs/dbraw/zinc/30/18/37/599301837.db2.gz QFHATPQAMNBCCV-UHFFFAOYSA-N -2 3 381.349 0.176 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000737200321 599343962 /nfs/dbraw/zinc/34/39/62/599343962.db2.gz LGUAMMCEEOUCOI-UHFFFAOYSA-N -2 3 398.431 0.616 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000737200321 599343967 /nfs/dbraw/zinc/34/39/67/599343967.db2.gz LGUAMMCEEOUCOI-UHFFFAOYSA-N -2 3 398.431 0.616 20 0 GCADHL Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000737200321 599343969 /nfs/dbraw/zinc/34/39/69/599343969.db2.gz LGUAMMCEEOUCOI-UHFFFAOYSA-N -2 3 398.431 0.616 20 0 GCADHL Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000737200321 599343971 /nfs/dbraw/zinc/34/39/71/599343971.db2.gz LGUAMMCEEOUCOI-UHFFFAOYSA-N -2 3 398.431 0.616 20 0 GCADHL O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)CN1 ZINC000823520903 607378141 /nfs/dbraw/zinc/37/81/41/607378141.db2.gz PCFBUUIBVGUBPW-LLVKDONJSA-N -2 3 385.409 0.666 20 0 GCADHL O=C1C[C@@H](c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)CN1 ZINC000823520903 607378143 /nfs/dbraw/zinc/37/81/43/607378143.db2.gz PCFBUUIBVGUBPW-LLVKDONJSA-N -2 3 385.409 0.666 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC000822222515 599624688 /nfs/dbraw/zinc/62/46/88/599624688.db2.gz JXAASVDAQIICHR-UHFFFAOYSA-N -2 3 394.457 0.675 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCC(=O)NC(C)C ZINC000822222515 599624689 /nfs/dbraw/zinc/62/46/89/599624689.db2.gz JXAASVDAQIICHR-UHFFFAOYSA-N -2 3 394.457 0.675 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820541177 599625921 /nfs/dbraw/zinc/62/59/21/599625921.db2.gz BQNNVTRKOSNIDT-SSDOTTSWSA-N -2 3 379.320 0.642 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)CC(F)(F)F ZINC000820541177 599625922 /nfs/dbraw/zinc/62/59/22/599625922.db2.gz BQNNVTRKOSNIDT-SSDOTTSWSA-N -2 3 379.320 0.642 20 0 GCADHL O=C([O-])[C@@H](CO)NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000739371115 599744909 /nfs/dbraw/zinc/74/49/09/599744909.db2.gz JQMDKAIKXUFSOW-SNVBAGLBSA-N -2 3 397.236 0.609 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNS(=O)(=O)Cc2ccccc2)o1 ZINC000740176432 599771657 /nfs/dbraw/zinc/77/16/57/599771657.db2.gz CLGBLXAQISACDS-UHFFFAOYSA-N -2 3 388.423 0.376 20 0 GCADHL CN(CCCC(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)C(=O)[O-] ZINC000737424508 599809105 /nfs/dbraw/zinc/80/91/05/599809105.db2.gz ZAHOGIYOFCUVEN-UHFFFAOYSA-N -2 3 377.357 0.486 20 0 GCADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000739742929 599872407 /nfs/dbraw/zinc/87/24/07/599872407.db2.gz NYUKEGAPPOBXGI-UHFFFAOYSA-N -2 3 375.428 0.374 20 0 GCADHL O=C([O-])CSCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000739862797 599887521 /nfs/dbraw/zinc/88/75/21/599887521.db2.gz BXZDPEGRDZDWOF-UHFFFAOYSA-N -2 3 394.421 0.953 20 0 GCADHL C[C@H](OC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736690853 600164654 /nfs/dbraw/zinc/16/46/54/600164654.db2.gz DELRVBAGKMLGKI-NSHDSACASA-N -2 3 378.381 0.377 20 0 GCADHL COC(=O)C[C@@H](NC(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)[O-] ZINC000737597442 600245232 /nfs/dbraw/zinc/24/52/32/600245232.db2.gz JJDYEGXRXZVBTB-CYBMUJFWSA-N -2 3 388.380 0.205 20 0 GCADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000738388261 600362267 /nfs/dbraw/zinc/36/22/67/600362267.db2.gz MLZWUMKRQWVXNN-GFCCVEGCSA-N -2 3 399.359 0.918 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCNC2=O)c(F)cc1Br ZINC000740087045 600634168 /nfs/dbraw/zinc/63/41/68/600634168.db2.gz GFOKBSKLTNPANT-VIFPVBQESA-N -2 3 395.206 0.843 20 0 GCADHL O=C([O-])C[C@H]1CSCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000739650644 600697808 /nfs/dbraw/zinc/69/78/08/600697808.db2.gz HYXIBLXDCINGMP-ZETCQYMHSA-N -2 3 392.231 0.130 20 0 GCADHL COC(=O)c1sc2[n-]c(CN(C)CC[C@H](C)O)nc(=O)c2c1CC(=O)[O-] ZINC000831479825 601019397 /nfs/dbraw/zinc/01/93/97/601019397.db2.gz UYXFVZVMHAMYRV-QMMMGPOBSA-N -2 3 383.426 0.601 20 0 GCADHL O=C([O-])c1ccsc1N1CC[C@@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1=O ZINC000833130558 601110926 /nfs/dbraw/zinc/11/09/26/601110926.db2.gz CRTCDHYFHTYSHO-GFCCVEGCSA-N -2 3 399.384 0.865 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1C(=O)[O-] ZINC000833027476 601225980 /nfs/dbraw/zinc/22/59/80/601225980.db2.gz FYDRYYQYVFNSEE-GZMMTYOYSA-N -2 3 380.444 0.235 20 0 GCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000776518666 601230315 /nfs/dbraw/zinc/23/03/15/601230315.db2.gz SUAHFURAEJKZJA-ZETCQYMHSA-N -2 3 381.309 0.046 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c(C)o1 ZINC000431644214 601271303 /nfs/dbraw/zinc/27/13/03/601271303.db2.gz HIBUERQNXRHFOE-UHFFFAOYSA-N -2 3 395.393 0.563 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(C)o1 ZINC000831029048 601284449 /nfs/dbraw/zinc/28/44/49/601284449.db2.gz GBLHDOPZNMMLPL-GFCCVEGCSA-N -2 3 396.421 0.875 20 0 GCADHL COC(=O)c1sc2[n-]c(CSc3cn[nH]n3)nc(=O)c2c1CC(=O)[O-] 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606405439 /nfs/dbraw/zinc/40/54/39/606405439.db2.gz IMSODDQJXUQJLE-UHFFFAOYSA-N -2 3 389.397 0.282 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000819817484 606405440 /nfs/dbraw/zinc/40/54/40/606405440.db2.gz IMSODDQJXUQJLE-UHFFFAOYSA-N -2 3 389.397 0.282 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822645640 606411186 /nfs/dbraw/zinc/41/11/86/606411186.db2.gz IPNGAZAYOHFEPL-UHFFFAOYSA-N -2 3 376.398 0.344 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)CCOc1ccccc1 ZINC000822645640 606411188 /nfs/dbraw/zinc/41/11/88/606411188.db2.gz IPNGAZAYOHFEPL-UHFFFAOYSA-N -2 3 376.398 0.344 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)cn1 ZINC000821566370 606437402 /nfs/dbraw/zinc/43/74/02/606437402.db2.gz AOSOEKRXTZLQEB-JTQLQIEISA-N -2 3 391.413 0.356 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)cn1 ZINC000821566370 606437403 /nfs/dbraw/zinc/43/74/03/606437403.db2.gz AOSOEKRXTZLQEB-JTQLQIEISA-N -2 3 391.413 0.356 20 0 GCADHL O=c1nc2[nH]cc(S(=O)(=O)Oc3ccc(-c4nn[n-]n4)cc3)cc-2c(=O)[n-]1 ZINC000823657775 606492740 /nfs/dbraw/zinc/49/27/40/606492740.db2.gz UMXPGZNSNBJQLQ-UHFFFAOYSA-N -2 3 387.337 0.384 20 0 GCADHL COC(=O)C=Cc1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000821657339 606708790 /nfs/dbraw/zinc/70/87/90/606708790.db2.gz MGNGERNWGUXLEI-VMPITWQZSA-N -2 3 389.397 0.587 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821671073 606709336 /nfs/dbraw/zinc/70/93/36/606709336.db2.gz GUIMFSMZPLINKE-UHFFFAOYSA-N -2 3 398.792 0.236 20 0 GCADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)cc21 ZINC000819796413 606710196 /nfs/dbraw/zinc/71/01/96/606710196.db2.gz HSCYKTZSJUEWBT-UHFFFAOYSA-N -2 3 388.413 0.310 20 0 GCADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(Cl)c1 ZINC000821670343 606710416 /nfs/dbraw/zinc/71/04/16/606710416.db2.gz ZFZJYVCHBHJFHJ-UHFFFAOYSA-N -2 3 397.804 0.841 20 0 GCADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1C ZINC000821670318 606710474 /nfs/dbraw/zinc/71/04/74/606710474.db2.gz XRFACOPWGDUZLD-UHFFFAOYSA-N -2 3 377.386 0.496 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c(F)cc1F ZINC000821667792 606710844 /nfs/dbraw/zinc/71/08/44/606710844.db2.gz ABARLCUNOLDZRH-UHFFFAOYSA-N -2 3 399.339 0.466 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc(C(=O)[O-])c1F ZINC000822211508 606870669 /nfs/dbraw/zinc/87/06/69/606870669.db2.gz BSOWYCYNXRCKBC-UHFFFAOYSA-N -3 3 381.349 0.547 20 0 GCADHL O=C(CCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NC1CC1 ZINC000822958848 606886896 /nfs/dbraw/zinc/88/68/96/606886896.db2.gz KARQXDBQNVMQHT-UHFFFAOYSA-N -2 3 386.384 0.482 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nnc2n1CCC2 ZINC000820438477 606889731 /nfs/dbraw/zinc/88/97/31/606889731.db2.gz QHUXVGPADSVWPM-ZETCQYMHSA-N -2 3 396.383 0.722 20 0 GCADHL CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1=O ZINC000820126612 606891875 /nfs/dbraw/zinc/89/18/75/606891875.db2.gz BCFSNEFHRNWHGO-LLVKDONJSA-N -2 3 386.384 0.433 20 0 GCADHL NC(=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000822859102 606892739 /nfs/dbraw/zinc/89/27/39/606892739.db2.gz FMYBURJKHLUEEM-IONNQARKSA-N -2 3 386.384 0.467 20 0 GCADHL C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1=O ZINC000820678692 606893825 /nfs/dbraw/zinc/89/38/25/606893825.db2.gz XGIYEDCRNNCBBP-FDOIEUKUSA-N -2 3 398.395 0.433 20 0 GCADHL C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820286261 606895271 /nfs/dbraw/zinc/89/52/71/606895271.db2.gz ACIAVJZDVWWDRK-WPRPVWTQSA-N -2 3 389.384 0.617 20 0 GCADHL Cc1c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)cnn1-c1ccccn1 ZINC000822130553 606980373 /nfs/dbraw/zinc/98/03/73/606980373.db2.gz VPMOASKEWDWBBH-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cnn1-c1ccccn1 ZINC000822130553 606980375 /nfs/dbraw/zinc/98/03/75/606980375.db2.gz VPMOASKEWDWBBH-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL Cc1ccnc(-n2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000822374026 606981088 /nfs/dbraw/zinc/98/10/88/606981088.db2.gz HYJIDOZPZIWBLO-UHFFFAOYSA-N -2 3 383.397 0.952 20 0 GCADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)ccc1O ZINC000819818188 607001480 /nfs/dbraw/zinc/00/14/80/607001480.db2.gz RSRCRBKQCRJGHA-UHFFFAOYSA-N -2 3 378.374 0.065 20 0 GCADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821662674 607026098 /nfs/dbraw/zinc/02/60/98/607026098.db2.gz MZGPSPIJZNVJLW-UHFFFAOYSA-N -2 3 396.410 0.676 20 0 GCADHL O=C(C[C@@H]1COC(=O)C1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822946447 607084707 /nfs/dbraw/zinc/08/47/07/607084707.db2.gz XSRDNCNWEBQHAE-ZETCQYMHSA-N -2 3 385.789 0.278 20 0 GCADHL O=C(C[C@@H]1COC(=O)C1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822946447 607084708 /nfs/dbraw/zinc/08/47/08/607084708.db2.gz XSRDNCNWEBQHAE-ZETCQYMHSA-N -2 3 385.789 0.278 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[N-]OCC(F)(F)F ZINC000820445523 607099916 /nfs/dbraw/zinc/09/99/16/607099916.db2.gz QSYORVPPFTUTPR-SSDOTTSWSA-N -2 3 394.335 0.144 20 0 GCADHL C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]OCC(F)(F)F ZINC000820445523 607099918 /nfs/dbraw/zinc/09/99/18/607099918.db2.gz QSYORVPPFTUTPR-SSDOTTSWSA-N -2 3 394.335 0.144 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000821700608 607106853 /nfs/dbraw/zinc/10/68/53/607106853.db2.gz SXRYXRLYPZCYSW-LLVKDONJSA-N -2 3 393.425 0.673 20 0 GCADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1C ZINC000821337155 607171941 /nfs/dbraw/zinc/17/19/41/607171941.db2.gz BMHQPQDBNVYYNM-UHFFFAOYSA-N -2 3 394.417 0.523 20 0 GCADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405004 607776750 /nfs/dbraw/zinc/77/67/50/607776750.db2.gz SDDOPRVCJSESQZ-SNVBAGLBSA-N -2 3 385.496 0.910 20 0 GCADHL O=C(C[C@@H]1CSCCS1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405004 607776751 /nfs/dbraw/zinc/77/67/51/607776751.db2.gz SDDOPRVCJSESQZ-SNVBAGLBSA-N -2 3 385.496 0.910 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450669 607779862 /nfs/dbraw/zinc/77/98/62/607779862.db2.gz XYIFDJMGJHCLFR-UHFFFAOYSA-N -2 3 386.353 0.364 20 0 GCADHL Cn1cnnc1-c1cncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826365446 607816613 /nfs/dbraw/zinc/81/66/13/607816613.db2.gz OMXAOPLSJBWTAN-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(F)F)n1 ZINC000826358654 607842913 /nfs/dbraw/zinc/84/29/13/607842913.db2.gz CBKYVLIWUIYMDO-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL Cn1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(F)F)n1 ZINC000826358654 607842914 /nfs/dbraw/zinc/84/29/14/607842914.db2.gz CBKYVLIWUIYMDO-UHFFFAOYSA-N -2 3 383.340 0.657 20 0 GCADHL O=C(Cc1ccc(-c2nnn[n-]2)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826422329 607925579 /nfs/dbraw/zinc/92/55/79/607925579.db2.gz VAMUSAQVLUDXBB-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000826422329 607925580 /nfs/dbraw/zinc/92/55/80/607925580.db2.gz VAMUSAQVLUDXBB-UHFFFAOYSA-N -2 3 378.801 0.963 20 0 GCADHL O=S(=O)([N-][C@H](CO)CC(F)(F)F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826487705 607938345 /nfs/dbraw/zinc/93/83/45/607938345.db2.gz XHVJHNJJJHDABK-LURJTMIESA-N -2 3 387.290 0.737 20 0 GCADHL O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826474798 607951254 /nfs/dbraw/zinc/95/12/54/607951254.db2.gz GCEBQPTYFICVSU-UHFFFAOYSA-N -2 3 376.336 0.819 20 0 GCADHL O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826474798 607951255 /nfs/dbraw/zinc/95/12/55/607951255.db2.gz GCEBQPTYFICVSU-UHFFFAOYSA-N -2 3 376.336 0.819 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000825914786 608011063 /nfs/dbraw/zinc/01/10/63/608011063.db2.gz NZXNDFPAQITWCU-UHFFFAOYSA-N -2 3 379.320 0.981 20 0 GCADHL CN(CCC(=O)[O-])S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000825914786 608011064 /nfs/dbraw/zinc/01/10/64/608011064.db2.gz NZXNDFPAQITWCU-UHFFFAOYSA-N -2 3 379.320 0.981 20 0 GCADHL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826365091 608101363 /nfs/dbraw/zinc/10/13/63/608101363.db2.gz BEJALFSFIKBPPC-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cn1cnnc1-c1ccnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826365091 608101364 /nfs/dbraw/zinc/10/13/64/608101364.db2.gz BEJALFSFIKBPPC-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826334082 608146199 /nfs/dbraw/zinc/14/61/99/608146199.db2.gz HDLHULQFVVJFHF-UHFFFAOYSA-N -2 3 392.445 0.783 20 0 GCADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826334082 608146200 /nfs/dbraw/zinc/14/62/00/608146200.db2.gz HDLHULQFVVJFHF-UHFFFAOYSA-N -2 3 392.445 0.783 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000825892246 608274125 /nfs/dbraw/zinc/27/41/25/608274125.db2.gz IIGPCIRNGXEKIP-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL CN(CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000825892246 608274127 /nfs/dbraw/zinc/27/41/27/608274127.db2.gz IIGPCIRNGXEKIP-UHFFFAOYSA-N -2 3 386.437 0.949 20 0 GCADHL CC(=O)N1c2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2C[C@@H]1C ZINC000823989336 608305013 /nfs/dbraw/zinc/30/50/13/608305013.db2.gz ULGYEVDWFOVGRS-QMMMGPOBSA-N -2 3 388.413 0.688 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)nn1 ZINC000825357005 608316204 /nfs/dbraw/zinc/31/62/04/608316204.db2.gz ULSDLGTWDRYSOR-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)nn1 ZINC000825357005 608316205 /nfs/dbraw/zinc/31/62/05/608316205.db2.gz ULSDLGTWDRYSOR-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825377056 608341837 /nfs/dbraw/zinc/34/18/37/608341837.db2.gz SLGMBXWKQBUGOE-UHFFFAOYSA-N -2 3 399.802 0.958 20 0 GCADHL CCN(C(=O)Cn1[n-]cc2c(=O)ncnc1-2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825377056 608341839 /nfs/dbraw/zinc/34/18/39/608341839.db2.gz SLGMBXWKQBUGOE-UHFFFAOYSA-N -2 3 399.802 0.958 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CO1 ZINC000824811767 608472808 /nfs/dbraw/zinc/47/28/08/608472808.db2.gz BMGIAHGHWQZGBZ-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL CC1(C)OCC(C)(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CO1 ZINC000824811767 608472810 /nfs/dbraw/zinc/47/28/10/608472810.db2.gz BMGIAHGHWQZGBZ-UHFFFAOYSA-N -2 3 395.441 0.602 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825492860 608473127 /nfs/dbraw/zinc/47/31/27/608473127.db2.gz IABMGCVPCCRMSL-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL CCOC(=O)C1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825492860 608473129 /nfs/dbraw/zinc/47/31/29/608473129.db2.gz IABMGCVPCCRMSL-UHFFFAOYSA-N -2 3 379.398 0.156 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cc(-c2nnn[n-]2)cs1 ZINC000826450319 608478588 /nfs/dbraw/zinc/47/85/88/608478588.db2.gz GOEMDQOYNDYWTQ-UHFFFAOYSA-N -2 3 379.379 0.776 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCO2)c1cc(-c2nn[n-]n2)cs1 ZINC000826450319 608478589 /nfs/dbraw/zinc/47/85/89/608478589.db2.gz GOEMDQOYNDYWTQ-UHFFFAOYSA-N -2 3 379.379 0.776 20 0 GCADHL Cn1cc(-c2nnn[n-]2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826358190 608478674 /nfs/dbraw/zinc/47/86/74/608478674.db2.gz JSPSQBGDCDTCRB-UHFFFAOYSA-N -2 3 376.354 0.053 20 0 GCADHL Cn1cc(-c2nn[n-]n2)cc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000826358190 608478676 /nfs/dbraw/zinc/47/86/76/608478676.db2.gz JSPSQBGDCDTCRB-UHFFFAOYSA-N -2 3 376.354 0.053 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nnn[n-]2)nc1C ZINC000825805052 608822092 /nfs/dbraw/zinc/82/20/92/608822092.db2.gz PTFNGMHUZDNTFM-UHFFFAOYSA-N -2 3 391.413 0.275 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)COc2ccccc2-c2nn[n-]n2)nc1C ZINC000825805052 608822095 /nfs/dbraw/zinc/82/20/95/608822095.db2.gz PTFNGMHUZDNTFM-UHFFFAOYSA-N -2 3 391.413 0.275 20 0 GCADHL CCOC(=O)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825518371 608847031 /nfs/dbraw/zinc/84/70/31/608847031.db2.gz YJSSYNWBSWKFMO-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL CCOC(=O)CS(=O)(=O)[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825518371 608847034 /nfs/dbraw/zinc/84/70/34/608847034.db2.gz YJSSYNWBSWKFMO-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826456367 609221803 /nfs/dbraw/zinc/22/18/03/609221803.db2.gz AAWWWRFPUFVDNA-CYBMUJFWSA-N -2 3 379.336 0.882 20 0 GCADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826456367 609221804 /nfs/dbraw/zinc/22/18/04/609221804.db2.gz AAWWWRFPUFVDNA-CYBMUJFWSA-N -2 3 379.336 0.882 20 0 GCADHL Cn1nccc1S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826367020 609274124 /nfs/dbraw/zinc/27/41/24/609274124.db2.gz IDDLVGXRPAMLLD-UHFFFAOYSA-N -2 3 389.376 0.726 20 0 GCADHL CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 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KTJRCWNNPHWDHC-GWCFXTLKSA-N -2 3 396.425 0.165 20 0 GCADHL CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)n1 ZINC000656180183 1185167672 /nfs/dbraw/zinc/16/76/72/1185167672.db2.gz HEPGUXIJSVOEBO-UHFFFAOYSA-N -2 3 383.430 0.760 20 0 GCADHL C[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@@H](O)C(F)(F)F ZINC001213349280 1185597008 /nfs/dbraw/zinc/59/70/08/1185597008.db2.gz WNIWITUBDRTANB-QUBYGPBYSA-N -2 3 394.368 0.787 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](Cc1cnn(C)c1)C(=O)[O-] ZINC000548224117 1185895342 /nfs/dbraw/zinc/89/53/42/1185895342.db2.gz ZBACGMZHBXPJOK-LLVKDONJSA-N -2 3 399.400 0.568 20 0 GCADHL Cn1cncc1C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]Cc1cncn1C ZINC000291251733 1187207851 /nfs/dbraw/zinc/20/78/51/1187207851.db2.gz OYZZLDPQYMSUTO-UHFFFAOYSA-N -2 3 376.314 0.357 20 0 GCADHL CO[C@@H]1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)[C@@H](C(=O)[O-])C1 ZINC000659220404 1187914886 /nfs/dbraw/zinc/91/48/86/1187914886.db2.gz NFXFKAVLSVNBEP-YUSALJHKSA-N -2 3 389.430 0.049 20 0 GCADHL CCc1cc(=O)[n-]c(-c2ccc(N3CCS(=O)(=O)[C@H](C(=O)[O-])C3)nc2)n1 ZINC000424468548 1187940996 /nfs/dbraw/zinc/94/09/96/1187940996.db2.gz JJMQVXWJEUDAMC-LBPRGKRZSA-N -2 3 378.410 0.495 20 0 GCADHL CCOC(=O)c1ccc(CS(=O)(=O)[N-]c2n[n-]c(CC(=O)OC)n2)cc1 ZINC000414448520 1194220858 /nfs/dbraw/zinc/22/08/58/1194220858.db2.gz ASNQRFBMBFPZEP-UHFFFAOYSA-N -2 3 382.398 0.639 20 0 GCADHL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C2 ZINC000420554315 1194239594 /nfs/dbraw/zinc/23/95/94/1194239594.db2.gz HGMJSXZQOSVFJR-WPPNPWJKSA-N -2 3 375.307 0.153 20 0 GCADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N[C@@H](C)C(N)=O)c1 ZINC000505368040 1194836152 /nfs/dbraw/zinc/83/61/52/1194836152.db2.gz YNHQWUFOKDVDMM-JTQLQIEISA-N -2 3 393.421 0.805 20 0 GCADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)NCC(N)=O)c1 ZINC000505369125 1194836302 /nfs/dbraw/zinc/83/63/02/1194836302.db2.gz USTBVSMMOXXPHL-UHFFFAOYSA-N -2 3 379.394 0.417 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425293133 1194896097 /nfs/dbraw/zinc/89/60/97/1194896097.db2.gz BFQXCYXAVZJCJL-JTQLQIEISA-N -2 3 385.402 0.065 20 0 GCADHL CNC(=O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000437005049 1195055615 /nfs/dbraw/zinc/05/56/15/1195055615.db2.gz WEGDZBOCWBENEJ-UHFFFAOYSA-N -2 3 393.421 0.677 20 0 GCADHL COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000517568122 1195193979 /nfs/dbraw/zinc/19/39/79/1195193979.db2.gz CGUQFIZYSPKQBV-UHFFFAOYSA-N -2 3 390.373 0.923 20 0 GCADHL O=C(NN1CC(=O)[N-]C1=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029019815 1195791799 /nfs/dbraw/zinc/79/17/99/1195791799.db2.gz LKERZEGRSYKMQU-UHFFFAOYSA-N -2 3 375.366 0.079 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000507908095 1195873500 /nfs/dbraw/zinc/87/35/00/1195873500.db2.gz YYFNYJOZYKFRSW-GXSJLCMTSA-N -2 3 399.429 0.453 20 0 GCADHL O=c1[n-]nnn1-c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000443411673 1196044617 /nfs/dbraw/zinc/04/46/17/1196044617.db2.gz FYFRAUZPMBYTFU-UHFFFAOYSA-N -2 3 385.369 0.144 20 0 GCADHL COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)cc1C(N)=O ZINC000443409719 1196044767 /nfs/dbraw/zinc/04/47/67/1196044767.db2.gz XMDMMBJBWDRSJW-UHFFFAOYSA-N -2 3 390.381 0.276 20 0 GCADHL CNC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000443532337 1196066937 /nfs/dbraw/zinc/06/69/37/1196066937.db2.gz SYIXWPLMJORHEV-UHFFFAOYSA-N -2 3 393.421 0.677 20 0 GCADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]N2CCCC2=O)c(OC)c1 ZINC001670820472 1196993776 /nfs/dbraw/zinc/99/37/76/1196993776.db2.gz WTHZSEQQVOHTRU-UHFFFAOYSA-N -2 3 391.471 0.663 20 0 GCADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1F ZINC000427306244 1197172809 /nfs/dbraw/zinc/17/28/09/1197172809.db2.gz BOCPJJDFAAMRPW-UHFFFAOYSA-N -2 3 379.325 0.855 20 0 GCADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000614922863 1197488481 /nfs/dbraw/zinc/48/84/81/1197488481.db2.gz UDLBGXFBUIVFDE-UHFFFAOYSA-N -2 3 394.453 0.563 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262406270 1197530539 /nfs/dbraw/zinc/53/05/39/1197530539.db2.gz IJDDIUGJULQFTL-ZYHUDNBSSA-N -2 3 385.442 0.672 20 0 GCADHL CO[C@H](CNC(=O)C1([N-]S(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)[O-] ZINC000263081885 1197541617 /nfs/dbraw/zinc/54/16/17/1197541617.db2.gz LISRNRJFVYPVFT-LLVKDONJSA-N -2 3 389.430 0.098 20 0 GCADHL CNS(=O)(=O)c1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)ccc1[O-] ZINC000509071621 1199897760 /nfs/dbraw/zinc/89/77/60/1199897760.db2.gz XRNOVDLCOBUSKR-UHFFFAOYSA-N -2 3 380.426 0.984 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000676003438 1200476451 /nfs/dbraw/zinc/47/64/51/1200476451.db2.gz BSWVHDMTNCEIQW-SNVBAGLBSA-N -2 3 381.410 0.973 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2nc3nc(C)cc(=O)n3[n-]2)c1 ZINC000733742906 1201605953 /nfs/dbraw/zinc/60/59/53/1201605953.db2.gz XAZRDBXQQIRJGS-UHFFFAOYSA-N -2 3 381.345 0.453 20 0 GCADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c1F ZINC000788438305 1205422531 /nfs/dbraw/zinc/42/25/31/1205422531.db2.gz CPOFMWKQQOINCY-MRVPVSSYSA-N -3 3 395.336 0.738 20 0 GCADHL O=C([O-])CN1CCCn2nc(C(=O)Nc3ccccc3-c3nnn[n-]3)cc2C1=O ZINC001178370797 1205785731 /nfs/dbraw/zinc/78/57/31/1205785731.db2.gz YBQDTKIIPOJAST-UHFFFAOYSA-N -2 3 396.367 0.246 20 0 GCADHL O=C([O-])CN1CCCn2nc(C(=O)Nc3ccccc3-c3nn[n-]n3)cc2C1=O ZINC001178370797 1205785732 /nfs/dbraw/zinc/78/57/32/1205785732.db2.gz YBQDTKIIPOJAST-UHFFFAOYSA-N -2 3 396.367 0.246 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@@H]2C(C(=O)NCCCCP(=O)([O-])[O-])=NO[C@@H]2C1 ZINC001179229443 1205806834 /nfs/dbraw/zinc/80/68/34/1205806834.db2.gz PGGLEYCDNZYJJL-WDEREUQCSA-N -2 3 391.361 0.682 20 0 GCADHL CCOC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnccn1 ZINC001185628302 1205926154 /nfs/dbraw/zinc/92/61/54/1205926154.db2.gz KYZVFCKHDLAVRU-CYBMUJFWSA-N -2 3 389.397 0.239 20 0 GCADHL COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1c([O-])[nH]c(=O)[n-]c1=S ZINC001190282650 1206032726 /nfs/dbraw/zinc/03/27/26/1206032726.db2.gz LLBHYKZJHGWEAV-MRVPVSSYSA-N -2 3 397.356 0.528 20 0 GCADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC ZINC001190596176 1206039589 /nfs/dbraw/zinc/03/95/89/1206039589.db2.gz SWZCOQNEOBZMIL-JTQLQIEISA-N -2 3 393.801 0.811 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccnn2C)ccc1F ZINC000843339284 939231072 /nfs/dbraw/zinc/23/10/72/939231072.db2.gz ZTDXSOKQGQLKGV-AWEZNQCLSA-N -2 3 398.416 0.802 20 0 GCADHL NC(=O)c1cc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(Br)cc1F ZINC001601162255 970947453 /nfs/dbraw/zinc/94/74/53/970947453.db2.gz KRAOPVXBMHRSQR-IZLXSQMJSA-N -2 3 395.206 0.829 20 0 GCADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601511725 971008885 /nfs/dbraw/zinc/00/88/85/971008885.db2.gz ZAXNJNBCDIPEHM-WAAGHKOSSA-N -2 3 377.369 0.406 20 0 GCADHL O=C(NCc1ccc(-c2nnn[n-]2)c(F)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001571275104 945703436 /nfs/dbraw/zinc/70/34/36/945703436.db2.gz PHCCZCYJLFSKEH-SNVBAGLBSA-N -2 3 387.379 0.919 20 0 GCADHL O=C(NCc1ccc(-c2nn[n-]n2)c(F)c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001571275104 945703449 /nfs/dbraw/zinc/70/34/49/945703449.db2.gz PHCCZCYJLFSKEH-SNVBAGLBSA-N -2 3 387.379 0.919 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822528092 946113304 /nfs/dbraw/zinc/11/33/04/946113304.db2.gz SBEBXFJYEKIQFY-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL Cc1noc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822528092 946113310 /nfs/dbraw/zinc/11/33/10/946113310.db2.gz SBEBXFJYEKIQFY-UHFFFAOYSA-N -2 3 377.386 0.137 20 0 GCADHL Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nnn[n-]2)c1 ZINC001571296128 946185076 /nfs/dbraw/zinc/18/50/76/946185076.db2.gz OTHXXCDPGPJKHO-JTQLQIEISA-N -2 3 390.429 0.567 20 0 GCADHL Cc1ccc(S(=O)(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(-c2nn[n-]n2)c1 ZINC001571296128 946185081 /nfs/dbraw/zinc/18/50/81/946185081.db2.gz OTHXXCDPGPJKHO-JTQLQIEISA-N -2 3 390.429 0.567 20 0 GCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)COC1 ZINC000824784060 946931730 /nfs/dbraw/zinc/93/17/30/946931730.db2.gz NHWSGODHHILUGY-UHFFFAOYSA-N -2 3 391.331 0.727 20 0 GCADHL CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)COC1 ZINC000824784060 946931739 /nfs/dbraw/zinc/93/17/39/946931739.db2.gz NHWSGODHHILUGY-UHFFFAOYSA-N -2 3 391.331 0.727 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1=O ZINC000824868290 946961618 /nfs/dbraw/zinc/96/16/18/946961618.db2.gz UTCVLBSIFIUTEV-MNOVXSKESA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1=O ZINC000824868290 946961624 /nfs/dbraw/zinc/96/16/24/946961624.db2.gz UTCVLBSIFIUTEV-MNOVXSKESA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1=O ZINC000824868837 946964458 /nfs/dbraw/zinc/96/44/58/946964458.db2.gz WVBMNKMPRQWKSX-ZWNOBZJWSA-N -2 3 377.426 0.818 20 0 GCADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1=O ZINC000824868837 946964465 /nfs/dbraw/zinc/96/44/65/946964465.db2.gz WVBMNKMPRQWKSX-ZWNOBZJWSA-N -2 3 377.426 0.818 20 0 GCADHL COc1cc(OC)nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000826181437 947560290 /nfs/dbraw/zinc/56/02/90/947560290.db2.gz ZIULJVSYDPRKHH-UHFFFAOYSA-N -2 3 377.386 0.783 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)c(C)o1 ZINC000826272356 947789611 /nfs/dbraw/zinc/78/96/11/947789611.db2.gz FPVCCOKDTRBHHE-UHFFFAOYSA-N -2 3 377.382 0.960 20 0 GCADHL Cc1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)c(C)o1 ZINC000826272356 947789615 /nfs/dbraw/zinc/78/96/15/947789615.db2.gz FPVCCOKDTRBHHE-UHFFFAOYSA-N -2 3 377.382 0.960 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000826279564 947804969 /nfs/dbraw/zinc/80/49/69/947804969.db2.gz UUHVINPPUIMMRB-PWSUYJOCSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)[C@H](C)C1 ZINC000826279564 947804986 /nfs/dbraw/zinc/80/49/86/947804986.db2.gz UUHVINPPUIMMRB-PWSUYJOCSA-N -2 3 377.426 0.985 20 0 GCADHL Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1-c1nn[n-]n1 ZINC000826299882 947872100 /nfs/dbraw/zinc/87/21/00/947872100.db2.gz ZNNMJTUIHNTJDY-UHFFFAOYSA-N -2 3 399.392 0.506 20 0 GCADHL Cc1[nH]nc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826322316 947943064 /nfs/dbraw/zinc/94/30/64/947943064.db2.gz HQJGMRNPVNDTQG-UHFFFAOYSA-N -2 3 385.413 0.944 20 0 GCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ccc(N2CCOCC2)nc1 ZINC000328272871 971459290 /nfs/dbraw/zinc/45/92/90/971459290.db2.gz HGEVNPSWMMLMBF-UHFFFAOYSA-N -2 3 384.439 0.551 20 0 GCADHL CC1(Nc2cnc(-c3nnn[n-]3)cn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575853234 949209251 /nfs/dbraw/zinc/20/92/51/949209251.db2.gz NRMHCVMYUFJDBY-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL CC1(Nc2cnc(-c3nn[n-]n3)cn2)CCN(C(=O)c2ncccc2[O-])CC1 ZINC001575853234 949209267 /nfs/dbraw/zinc/20/92/67/949209267.db2.gz NRMHCVMYUFJDBY-UHFFFAOYSA-N -2 3 381.400 0.864 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C ZINC001575867456 949438110 /nfs/dbraw/zinc/43/81/10/949438110.db2.gz YQCXZMFMYUBXRZ-LBPRGKRZSA-N -2 3 386.416 0.145 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC001575867456 949438118 /nfs/dbraw/zinc/43/81/18/949438118.db2.gz YQCXZMFMYUBXRZ-LBPRGKRZSA-N -2 3 386.416 0.145 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884235 949841387 /nfs/dbraw/zinc/84/13/87/949841387.db2.gz HRIQQFGQWDRJJZ-KOLCDFICSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001575884235 949841410 /nfs/dbraw/zinc/84/14/10/949841410.db2.gz HRIQQFGQWDRJJZ-KOLCDFICSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575900691 950207973 /nfs/dbraw/zinc/20/79/73/950207973.db2.gz HLYZKYKWEOFQDV-KOLCDFICSA-N -2 3 382.384 0.328 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ncccc2[O-])CCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575900691 950207986 /nfs/dbraw/zinc/20/79/86/950207986.db2.gz HLYZKYKWEOFQDV-KOLCDFICSA-N -2 3 382.384 0.328 20 0 GCADHL CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]Cc1nc(-c2nnn[n-]2)cs1 ZINC001573876233 950663506 /nfs/dbraw/zinc/66/35/06/950663506.db2.gz GRGQVBMIUJZKPR-JOCHJYFZSA-N -2 3 379.493 0.554 20 0 GCADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CO1 ZINC001595001614 951134299 /nfs/dbraw/zinc/13/42/99/951134299.db2.gz BEFSCDXQEXYLEH-UONOGXRCSA-N -2 3 376.409 0.947 20 0 GCADHL O=C([O-])CC[C@H]1C[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)CO1 ZINC001595001610 951134440 /nfs/dbraw/zinc/13/44/40/951134440.db2.gz BEFSCDXQEXYLEH-KBPBESRZSA-N -2 3 376.409 0.947 20 0 GCADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001571119890 952497011 /nfs/dbraw/zinc/49/70/11/952497011.db2.gz HEMUPBOCHVRJGL-UHFFFAOYSA-N -2 3 376.402 0.912 20 0 GCADHL CC(C)(C)OC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001602905249 971845025 /nfs/dbraw/zinc/84/50/25/971845025.db2.gz JQMTVPONRCMZMV-WDEREUQCSA-N -2 3 380.401 0.934 20 0 GCADHL O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nnn[n-]3)nn2)C1)c1ncccc1[O-] ZINC001571175678 952824530 /nfs/dbraw/zinc/82/45/30/952824530.db2.gz DZZMLDBQECMNAI-MNOVXSKESA-N -2 3 381.400 0.768 20 0 GCADHL O=C(N[C@H]1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)c1ncccc1[O-] ZINC001571175678 952824537 /nfs/dbraw/zinc/82/45/37/952824537.db2.gz DZZMLDBQECMNAI-MNOVXSKESA-N -2 3 381.400 0.768 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nnn[n-]3)nc2)c1[O-] ZINC001571175957 952828273 /nfs/dbraw/zinc/82/82/73/952828273.db2.gz JNMXUNSMDUEKQL-WQAKAFBOSA-N -2 3 381.400 0.539 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)c1[O-] ZINC001571175957 952828276 /nfs/dbraw/zinc/82/82/76/952828276.db2.gz JNMXUNSMDUEKQL-WQAKAFBOSA-N -2 3 381.400 0.539 20 0 GCADHL C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1C(=O)c1ncccc1[O-] ZINC001571194852 952969332 /nfs/dbraw/zinc/96/93/32/952969332.db2.gz SXNQTQDPRVLHGD-ZJUUUORDSA-N -2 3 382.384 0.328 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239252 953237525 /nfs/dbraw/zinc/23/75/25/953237525.db2.gz RIMLSOFZBYZORZ-UWVGGRQHSA-N -2 3 384.404 0.404 20 0 GCADHL Cc1n[nH]c(C(=O)N[C@H]2CC[C@@H](C)N(c3cncc(-c4nnn[n-]4)n3)C2)c1[O-] ZINC001571239485 953239290 /nfs/dbraw/zinc/23/92/90/953239290.db2.gz VJFBJCXWIYCQFC-SCZZXKLOSA-N -2 3 384.404 0.181 20 0 GCADHL Cc1[nH]nc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)c1[O-] ZINC001571239477 953239624 /nfs/dbraw/zinc/23/96/24/953239624.db2.gz VARABOWUOAHPHI-JTQLQIEISA-N -2 3 384.404 0.135 20 0 GCADHL O=C([O-])[C@@H](c1ccccc1)N1CC[C@H]([N-]S(=O)(=O)Cc2ccon2)C1=O ZINC000473459689 953523729 /nfs/dbraw/zinc/52/37/29/953523729.db2.gz IJPBASPKQSLRBQ-UONOGXRCSA-N -2 3 379.394 0.521 20 0 GCADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](Cc1ccncc1)C(=O)[O-] ZINC000590601483 953739553 /nfs/dbraw/zinc/73/95/53/953739553.db2.gz YXGAWCAQTLURCF-CYBMUJFWSA-N -2 3 382.369 0.982 20 0 GCADHL CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[N-][C@@]2(C(=O)[O-])CCOC2)cc1 ZINC001593688341 954004200 /nfs/dbraw/zinc/00/42/00/954004200.db2.gz MAXHDINPWJCSMO-INIZCTEOSA-N -2 3 386.351 0.605 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1)C(=O)[O-] ZINC001593849850 955444649 /nfs/dbraw/zinc/44/46/49/955444649.db2.gz KZDMURNEJKNSGK-BSNNYGBQSA-N -2 3 378.428 0.384 20 0 GCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)c3ccc4c(c3)C(=O)[N-]C4=O)C2)cn1 ZINC001594539221 955614714 /nfs/dbraw/zinc/61/47/14/955614714.db2.gz NEJABXLFYMOKKW-NWDGAFQWSA-N -2 3 382.376 0.634 20 0 GCADHL Cn1nccc1[C@@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC(C)(C)C ZINC001594592410 956061884 /nfs/dbraw/zinc/06/18/84/956061884.db2.gz GJKIEFCMFCSAGM-NWDGAFQWSA-N -2 3 388.446 0.186 20 0 GCADHL C[C@H](CN1CCOCC1)C(=O)N1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001603158969 972260285 /nfs/dbraw/zinc/26/02/85/972260285.db2.gz NAALNXXJYSRQBD-IJLUTSLNSA-N -2 3 395.378 0.077 20 0 GCADHL CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000390113738 972265690 /nfs/dbraw/zinc/26/56/90/972265690.db2.gz VAEXHDXYBJCSIM-UHFFFAOYSA-N -2 3 388.826 0.395 20 0 GCADHL Cc1nc(C)c(CC(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c(=O)[n-]1 ZINC001329785734 957706580 /nfs/dbraw/zinc/70/65/80/957706580.db2.gz KDDOJPMKUDEURW-GFCCVEGCSA-N -2 3 376.413 0.266 20 0 GCADHL C[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)c1nc(C(F)(F)F)n[n-]1 ZINC001603215611 972328754 /nfs/dbraw/zinc/32/87/54/972328754.db2.gz ILEHLKWDDXUDNN-LURJTMIESA-N -2 3 384.336 0.280 20 0 GCADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(N3C[C@H](C(=O)[O-])CC3=O)CC2)c1 ZINC001573355962 958577247 /nfs/dbraw/zinc/57/72/47/958577247.db2.gz IUDVFALUTCYGQX-GFCCVEGCSA-N -2 3 389.408 0.888 20 0 GCADHL C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001603250947 972425123 /nfs/dbraw/zinc/42/51/23/972425123.db2.gz UKBVOQBSKIHVDL-MXWKQRLJSA-N -2 3 386.430 0.134 20 0 GCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594489659 959685466 /nfs/dbraw/zinc/68/54/66/959685466.db2.gz IILZIFRWCJFYCA-BWBHSNQOSA-N -2 3 380.426 0.728 20 0 GCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594489658 959685733 /nfs/dbraw/zinc/68/57/33/959685733.db2.gz IILZIFRWCJFYCA-BGMSHATGSA-N -2 3 380.426 0.728 20 0 GCADHL CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCN(C(=O)C(=O)[O-])CC2)s1 ZINC001588727235 961079068 /nfs/dbraw/zinc/07/90/68/961079068.db2.gz KMDTVBVBXRSVIP-UHFFFAOYSA-N -2 3 384.414 0.859 20 0 GCADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)oc1C(=O)[O-] ZINC001327617337 961176213 /nfs/dbraw/zinc/17/62/13/961176213.db2.gz RBOJERAFCPPJIJ-YGRLFVJLSA-N -2 3 393.439 0.301 20 0 GCADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2CCCCN(CC(=O)[O-])C2=O)c1 ZINC001574410422 961274285 /nfs/dbraw/zinc/27/42/85/961274285.db2.gz APNUVTVHZIGPCD-JTQLQIEISA-N -2 3 375.834 0.787 20 0 GCADHL O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)C(=O)c1ccc([O-])cc1 ZINC001574512479 961810572 /nfs/dbraw/zinc/81/05/72/961810572.db2.gz NNRUSCQYYJCOSN-WDEREUQCSA-N -3 3 388.298 0.698 20 0 GCADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccnn2C)c1 ZINC000819090531 969193536 /nfs/dbraw/zinc/19/35/36/969193536.db2.gz WOHHAAQMNJMMAN-CYBMUJFWSA-N -2 3 385.373 0.840 20 0 GCADHL O=C([O-])[C@]1(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCO1 ZINC001605928765 972847843 /nfs/dbraw/zinc/84/78/43/972847843.db2.gz ZQJHRUCGENRQLU-CQSZACIVSA-N -2 3 394.808 0.507 20 0 GCADHL O=C([O-])[C@H]1CS(=O)(=O)CCN1C(=O)c1cc([O-])cc(Br)c1 ZINC001606058045 973177964 /nfs/dbraw/zinc/17/79/64/973177964.db2.gz ZYORWQNCERYVCL-SNVBAGLBSA-N -2 3 378.200 0.479 20 0 GCADHL Cn1cc([C@H]2C[C@@H](C(=O)[O-])CN(C(=O)CNC(=O)c3ccc([O-])cc3)C2)cn1 ZINC001605490681 973643898 /nfs/dbraw/zinc/64/38/98/973643898.db2.gz LJBNGLZSGZSBTM-UONOGXRCSA-N -2 3 386.408 0.572 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)CCCC1 ZINC000579496683 974877137 /nfs/dbraw/zinc/87/71/37/974877137.db2.gz OCJJCWRRLFCERA-HAQNSBGRSA-N -2 3 385.442 0.862 20 0 GCADHL C[C@H](CC(=O)N1CC(C)(C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001592227088 977422730 /nfs/dbraw/zinc/42/27/30/977422730.db2.gz LMQLAWHOOVPSDD-SECBINFHSA-N -2 3 375.834 0.725 20 0 GCADHL C[C@@H](CN1CCN(c2ccccc2)CC1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001592615998 978578141 /nfs/dbraw/zinc/57/81/41/978578141.db2.gz PDTKCFAUOPOVNE-ZDUSSCGKSA-N -2 3 393.469 0.597 20 0 GCADHL C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000825978184 978943337 /nfs/dbraw/zinc/94/33/37/978943337.db2.gz ZLOCMQRABHVBCU-CQSZACIVSA-N -2 3 389.452 0.862 20 0 GCADHL CCC[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)c1nnn[n-]1 ZINC000829230204 978996004 /nfs/dbraw/zinc/99/60/04/978996004.db2.gz HVCLXNFNUYUOLQ-CYBMUJFWSA-N -3 3 385.384 0.577 20 0 GCADHL CCC[C@@H](NC(=O)c1ccc(-n2[n-]c(CC(=O)[O-])cc2=O)cc1)c1nn[n-]n1 ZINC000829230204 978996007 /nfs/dbraw/zinc/99/60/07/978996007.db2.gz HVCLXNFNUYUOLQ-CYBMUJFWSA-N -3 3 385.384 0.577 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])N1CCN(c2ccccc2)CC1 ZINC001592715354 979212381 /nfs/dbraw/zinc/21/23/81/979212381.db2.gz BSCUVJRZSAZATP-CYBMUJFWSA-N -2 3 393.469 0.597 20 0 GCADHL C[C@H](CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001592808391 979483186 /nfs/dbraw/zinc/48/31/86/979483186.db2.gz LAHDLHCWUZWINZ-SSDOTTSWSA-N -2 3 390.892 0.320 20 0 GCADHL CC[C@@H](CNS(C)(=O)=O)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595172329 979740231 /nfs/dbraw/zinc/74/02/31/979740231.db2.gz ABHCQRZFDMMZIY-ZETCQYMHSA-N -2 3 386.398 0.269 20 0 GCADHL CC[C@@]1(O)CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[n-]2)C1 ZINC001595395835 980958664 /nfs/dbraw/zinc/95/86/64/980958664.db2.gz HPSWCDKJOYQCOY-QGZVFWFLSA-N -2 3 395.437 0.745 20 0 GCADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C(=O)OC)c1 ZINC001588660930 983785354 /nfs/dbraw/zinc/78/53/54/983785354.db2.gz CRFZSONYLWTFGT-MFKMUULPSA-N -2 3 376.365 0.995 20 0 GCADHL CCOC(=O)[C@H](CC1(OC)CCC1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001596527878 984347573 /nfs/dbraw/zinc/34/75/73/984347573.db2.gz QELKDXPQDOOGAW-JTQLQIEISA-N -2 3 375.403 0.277 20 0 GCADHL CCOC(=O)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCOCC1 ZINC001596542238 984385461 /nfs/dbraw/zinc/38/54/61/984385461.db2.gz HSVJKFSADXEFTA-VIFPVBQESA-N -2 3 378.428 0.478 20 0 GCADHL CCOC(=O)N1CCC([C@H](C)[N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CC1 ZINC001596644244 984648725 /nfs/dbraw/zinc/64/87/25/984648725.db2.gz IMSOSNVTKHTMCP-VIFPVBQESA-N -2 3 388.446 0.952 20 0 GCADHL C[C@H](Cc1cn(C)nn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC001599892480 984712505 /nfs/dbraw/zinc/71/25/05/984712505.db2.gz QNHUKXYPJLWKJE-ZCFIWIBFSA-N -2 3 393.219 0.778 20 0 GCADHL C[C@H]1CCN(CCc2cn(CC(=O)[O-])nn2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC001599906759 984933525 /nfs/dbraw/zinc/93/35/25/984933525.db2.gz IZALPNABSIRDAL-KWBADKCTSA-N -2 3 377.367 0.683 20 0 GCADHL CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)[O-])c(F)c1 ZINC001596726324 984983018 /nfs/dbraw/zinc/98/30/18/984983018.db2.gz MHLSVFFQAYLZFW-SNVBAGLBSA-N -2 3 377.346 0.297 20 0 GCADHL CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001590273561 989678363 /nfs/dbraw/zinc/67/83/63/989678363.db2.gz IMTYEMMIROJYEW-GFCCVEGCSA-N -2 3 380.401 0.825 20 0 GCADHL CS(=O)(=O)C1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC001599745546 991923758 /nfs/dbraw/zinc/92/37/58/991923758.db2.gz GFSJZWNFDSSGTM-UHFFFAOYSA-N -2 3 383.394 0.909 20 0 GCADHL CS(=O)(=O)CC1CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001599747995 991953397 /nfs/dbraw/zinc/95/33/97/991953397.db2.gz IYLQXUQBBWOAGY-UHFFFAOYSA-N -2 3 382.485 0.723 20 0 GCADHL CS(=O)(=O)c1ccc(F)c(C[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001599770011 992232461 /nfs/dbraw/zinc/23/24/61/992232461.db2.gz SOLQYDQUXYPYCX-UHFFFAOYSA-N -2 3 377.371 0.999 20 0 GCADHL COc1ccc(NC(=C(F)C(=O)[O-])c2c([O-])[nH]c(=S)[n-]c2=O)c(OC)c1 ZINC001599585547 993608110 /nfs/dbraw/zinc/60/81/10/993608110.db2.gz DDBQGZASNGZITP-JTQLQIEISA-N -3 3 383.357 0.323 20 0 GCADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])ccc1F ZINC001598673715 994804501 /nfs/dbraw/zinc/80/45/01/994804501.db2.gz XJHZQOUKVWNDNW-ZDUSSCGKSA-N -2 3 381.385 0.555 20 0 GCADHL C[C@H](NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001593326719 994882093 /nfs/dbraw/zinc/88/20/93/994882093.db2.gz YNPNZGGISFJKML-YFKTTZPYSA-N -2 3 385.442 0.923 20 0 GCADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1N=NC(=O)N1C ZINC001593330623 994895675 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/nfs/dbraw/zinc/84/44/13/598844413.db2.gz NDQAJRVCDOJGFD-UHFFFAOYSA-N -2 3 387.360 0.782 20 0 GCADHL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736301256 598856022 /nfs/dbraw/zinc/85/60/22/598856022.db2.gz ACYVRUNCHNESNP-ZDUSSCGKSA-N -2 3 392.441 0.463 20 0 GCADHL CCC(=O)N1CCCC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736301256 598856023 /nfs/dbraw/zinc/85/60/23/598856023.db2.gz ACYVRUNCHNESNP-ZDUSSCGKSA-N -2 3 392.441 0.463 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737859854 598856186 /nfs/dbraw/zinc/85/61/86/598856186.db2.gz AYXQIUVZMMNZSR-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737859854 598856187 /nfs/dbraw/zinc/85/61/87/598856187.db2.gz AYXQIUVZMMNZSR-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737860950 598856502 /nfs/dbraw/zinc/85/65/02/598856502.db2.gz PNOZOAKCPGLASQ-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C(CCc1cscn1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737860950 598856504 /nfs/dbraw/zinc/85/65/04/598856504.db2.gz PNOZOAKCPGLASQ-UHFFFAOYSA-N -2 3 378.439 0.902 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737916699 598856565 /nfs/dbraw/zinc/85/65/65/598856565.db2.gz QWWURFOBTCRZMM-GFCCVEGCSA-N -2 3 381.414 0.008 20 0 GCADHL O=C(COC[C@H]1CCCO1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737916699 598856567 /nfs/dbraw/zinc/85/65/67/598856567.db2.gz QWWURFOBTCRZMM-GFCCVEGCSA-N -2 3 381.414 0.008 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000736972353 598858860 /nfs/dbraw/zinc/85/88/60/598858860.db2.gz XOFZKAYADYZWOT-BXUZGUMPSA-N -2 3 397.457 0.751 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000736972353 598858862 /nfs/dbraw/zinc/85/88/62/598858862.db2.gz XOFZKAYADYZWOT-BXUZGUMPSA-N -2 3 397.457 0.751 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(CC(=O)N(C)C)c1 ZINC000737301461 598931719 /nfs/dbraw/zinc/93/17/19/598931719.db2.gz OPVHECRSMONIDU-UHFFFAOYSA-N -2 3 390.429 0.261 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000736932277 598947996 /nfs/dbraw/zinc/94/79/96/598947996.db2.gz IOZGSKBQQSFLKV-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL COC(=O)Cn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000736932277 598947997 /nfs/dbraw/zinc/94/79/97/598947997.db2.gz IOZGSKBQQSFLKV-UHFFFAOYSA-N -2 3 377.386 0.345 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000823994233 607777235 /nfs/dbraw/zinc/77/72/35/607777235.db2.gz DTMWWCHJLOELHA-UHFFFAOYSA-N -2 3 395.426 0.011 20 0 GCADHL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000735474941 598975832 /nfs/dbraw/zinc/97/58/32/598975832.db2.gz RLZWLMHQSLVAEH-UHFFFAOYSA-N -2 3 394.457 0.677 20 0 GCADHL CC(=O)NCCCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735474941 598975835 /nfs/dbraw/zinc/97/58/35/598975835.db2.gz RLZWLMHQSLVAEH-UHFFFAOYSA-N -2 3 394.457 0.677 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCOCC1 ZINC000737297927 598974646 /nfs/dbraw/zinc/97/46/46/598974646.db2.gz GDBGHPWBRPTKIR-HWKANZROSA-N -2 3 377.426 0.963 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCOCC1 ZINC000737297927 598974647 /nfs/dbraw/zinc/97/46/47/598974647.db2.gz GDBGHPWBRPTKIR-HWKANZROSA-N -2 3 377.426 0.963 20 0 GCADHL COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cs1 ZINC000737022043 598974774 /nfs/dbraw/zinc/97/47/74/598974774.db2.gz JMKSCWBPUGJQCO-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cs1 ZINC000737022043 598974776 /nfs/dbraw/zinc/97/47/76/598974776.db2.gz JMKSCWBPUGJQCO-UHFFFAOYSA-N -2 3 394.438 0.897 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000737300438 598974944 /nfs/dbraw/zinc/97/49/44/598974944.db2.gz XLYRBBOXPBRARE-SNVBAGLBSA-N -2 3 394.457 0.531 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC000737300438 598974946 /nfs/dbraw/zinc/97/49/46/598974946.db2.gz XLYRBBOXPBRARE-SNVBAGLBSA-N -2 3 394.457 0.531 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000737297566 598976475 /nfs/dbraw/zinc/97/64/75/598976475.db2.gz CBLWWCHGOUVQJJ-GFCCVEGCSA-N -2 3 381.414 0.176 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)COC[C@H]1CCCO1 ZINC000737297566 598976477 /nfs/dbraw/zinc/97/64/77/598976477.db2.gz CBLWWCHGOUVQJJ-GFCCVEGCSA-N -2 3 381.414 0.176 20 0 GCADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000823994233 607777236 /nfs/dbraw/zinc/77/72/36/607777236.db2.gz DTMWWCHJLOELHA-UHFFFAOYSA-N -2 3 395.426 0.011 20 0 GCADHL C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccc(-c3nnn[n-]3)nc2)C1=O ZINC000736230545 599106374 /nfs/dbraw/zinc/10/63/74/599106374.db2.gz STVINTHBCBNGEX-QGZVFWFLSA-N -2 3 378.352 0.374 20 0 GCADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc21 ZINC000819797050 599232185 /nfs/dbraw/zinc/23/21/85/599232185.db2.gz RTDJVHKBQRZLLU-UHFFFAOYSA-N -2 3 385.409 0.972 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000739825088 596981639 /nfs/dbraw/zinc/98/16/39/596981639.db2.gz FQSXSKGPYPJKCP-UHFFFAOYSA-N -2 3 392.380 0.579 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825524012 607778368 /nfs/dbraw/zinc/77/83/68/607778368.db2.gz YLXBGHDCIBVLND-UHFFFAOYSA-N -2 3 396.429 0.506 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000737748293 599262263 /nfs/dbraw/zinc/26/22/63/599262263.db2.gz RFTFDPPHYWBQRZ-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL NC(=O)CCn1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000737748293 599262265 /nfs/dbraw/zinc/26/22/65/599262265.db2.gz RFTFDPPHYWBQRZ-UHFFFAOYSA-N -2 3 396.820 0.393 20 0 GCADHL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc21 ZINC000736844461 598283126 /nfs/dbraw/zinc/28/31/26/598283126.db2.gz BLTGRFWJXQKPJL-UHFFFAOYSA-N -2 3 385.409 0.972 20 0 GCADHL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc21 ZINC000736844461 598283127 /nfs/dbraw/zinc/28/31/27/598283127.db2.gz BLTGRFWJXQKPJL-UHFFFAOYSA-N -2 3 385.409 0.972 20 0 GCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1C ZINC000737214576 598414824 /nfs/dbraw/zinc/41/48/24/598414824.db2.gz MUDPAPLMPBYNJF-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL Cc1c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1C ZINC000737214576 598414826 /nfs/dbraw/zinc/41/48/26/598414826.db2.gz MUDPAPLMPBYNJF-UHFFFAOYSA-N -2 3 381.805 0.681 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737986015 598433813 /nfs/dbraw/zinc/43/38/13/598433813.db2.gz RXKRMMAQNZKPHR-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL O=C(Cn1ncc2ccccc21)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737986015 598433814 /nfs/dbraw/zinc/43/38/14/598433814.db2.gz RXKRMMAQNZKPHR-UHFFFAOYSA-N -2 3 397.420 0.863 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736931494 598438018 /nfs/dbraw/zinc/43/80/18/598438018.db2.gz WLNUXDUSXPXGMK-UHFFFAOYSA-N -2 3 380.411 0.840 20 0 GCADHL COC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736931494 598438019 /nfs/dbraw/zinc/43/80/19/598438019.db2.gz WLNUXDUSXPXGMK-UHFFFAOYSA-N -2 3 380.411 0.840 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737766300 598438990 /nfs/dbraw/zinc/43/89/90/598438990.db2.gz ZFWKCTSWYMSCBP-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL NC(=O)c1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737766300 598438991 /nfs/dbraw/zinc/43/89/91/598438991.db2.gz ZFWKCTSWYMSCBP-UHFFFAOYSA-N -2 3 385.818 0.876 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000737620869 598482221 /nfs/dbraw/zinc/48/22/21/598482221.db2.gz DQBQXHATLUEOMX-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL Cn1ncc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000737620869 598482223 /nfs/dbraw/zinc/48/22/23/598482223.db2.gz DQBQXHATLUEOMX-UHFFFAOYSA-N -2 3 397.367 0.798 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736931574 598485617 /nfs/dbraw/zinc/48/56/17/598485617.db2.gz ZCZKEYSMHLBKIU-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL COC(=O)CSCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736931574 598485618 /nfs/dbraw/zinc/48/56/18/598485618.db2.gz ZCZKEYSMHLBKIU-UHFFFAOYSA-N -2 3 399.454 0.109 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736935714 598516350 /nfs/dbraw/zinc/51/63/50/598516350.db2.gz LALJXSDOGCSFAJ-LLVKDONJSA-N -2 3 382.402 0.052 20 0 GCADHL COC(=O)N[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736935714 598516352 /nfs/dbraw/zinc/51/63/52/598516352.db2.gz LALJXSDOGCSFAJ-LLVKDONJSA-N -2 3 382.402 0.052 20 0 GCADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737023423 598612482 /nfs/dbraw/zinc/61/24/82/598612482.db2.gz FIRCYJDVKULUOM-LBPRGKRZSA-N -2 3 387.396 0.967 20 0 GCADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000737023423 598612483 /nfs/dbraw/zinc/61/24/83/598612483.db2.gz FIRCYJDVKULUOM-LBPRGKRZSA-N -2 3 387.396 0.967 20 0 GCADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736931460 598637630 /nfs/dbraw/zinc/63/76/30/598637630.db2.gz POIMZDCSKCBDEO-UHFFFAOYSA-N -2 3 390.381 0.614 20 0 GCADHL O=C(COc1cccc(-c2nnn[n-]2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737925730 598752512 /nfs/dbraw/zinc/75/25/12/598752512.db2.gz YNBLXMDPXGAGPT-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL O=C(COc1cccc(-c2nn[n-]n2)c1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000737925730 598752513 /nfs/dbraw/zinc/75/25/13/598752513.db2.gz YNBLXMDPXGAGPT-UHFFFAOYSA-N -2 3 394.800 0.799 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000737761918 598752881 /nfs/dbraw/zinc/75/28/81/598752881.db2.gz VMDQFBQUKOMSGG-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL NC(=O)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000737761918 598752882 /nfs/dbraw/zinc/75/28/82/598752882.db2.gz VMDQFBQUKOMSGG-UHFFFAOYSA-N -2 3 378.395 0.146 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737795886 598762282 /nfs/dbraw/zinc/76/22/82/598762282.db2.gz MLBSRODZUNHYMR-PLNGDYQASA-N -2 3 377.426 0.796 20 0 GCADHL O=C(C=CC1CCOCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737795886 598762284 /nfs/dbraw/zinc/76/22/84/598762284.db2.gz MLBSRODZUNHYMR-PLNGDYQASA-N -2 3 377.426 0.796 20 0 GCADHL COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736967975 598785683 /nfs/dbraw/zinc/78/56/83/598785683.db2.gz OPTMFLAVYFOYQG-ZETCQYMHSA-N -2 3 393.347 0.973 20 0 GCADHL COC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736967975 598785686 /nfs/dbraw/zinc/78/56/86/598785686.db2.gz OPTMFLAVYFOYQG-ZETCQYMHSA-N -2 3 393.347 0.973 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000736932545 598789319 /nfs/dbraw/zinc/78/93/19/598789319.db2.gz NUEWXYOSBXNDMN-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000736932545 598789320 /nfs/dbraw/zinc/78/93/20/598789320.db2.gz NUEWXYOSBXNDMN-UHFFFAOYSA-N -2 3 397.804 0.690 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000735465790 598798576 /nfs/dbraw/zinc/79/85/76/598798576.db2.gz NVCXTYYIPBGUGB-AWEZNQCLSA-N -2 3 392.441 0.071 20 0 GCADHL CC(=O)N1CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000735465790 598798578 /nfs/dbraw/zinc/79/85/78/598798578.db2.gz NVCXTYYIPBGUGB-AWEZNQCLSA-N -2 3 392.441 0.071 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1C1CC1 ZINC000822705171 599620103 /nfs/dbraw/zinc/62/01/03/599620103.db2.gz YEZKPJXWSQTZMW-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL Cn1nc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1C1CC1 ZINC000822705171 599620104 /nfs/dbraw/zinc/62/01/04/599620104.db2.gz YEZKPJXWSQTZMW-UHFFFAOYSA-N -2 3 387.425 0.737 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000821114573 599624612 /nfs/dbraw/zinc/62/46/12/599624612.db2.gz YDNYEVVPGJQVRF-UHFFFAOYSA-N -2 3 394.457 0.677 20 0 GCADHL CCCNC(=O)CCCC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821114573 599624613 /nfs/dbraw/zinc/62/46/13/599624613.db2.gz YDNYEVVPGJQVRF-UHFFFAOYSA-N -2 3 394.457 0.677 20 0 GCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)o1 ZINC000740176908 599771393 /nfs/dbraw/zinc/77/13/93/599771393.db2.gz YVYMQSLWMOPPMG-UHFFFAOYSA-N -2 3 388.423 0.376 20 0 GCADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000739742947 599867793 /nfs/dbraw/zinc/86/77/93/599867793.db2.gz OOWBYNISBKENNO-UHFFFAOYSA-N -2 3 388.423 0.975 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)OCC(=O)c1cc(C(=O)[O-])co1 ZINC000738944267 600137268 /nfs/dbraw/zinc/13/72/68/600137268.db2.gz DCJBGVSXMQGBPY-UHFFFAOYSA-N -2 3 386.338 0.287 20 0 GCADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)[O-])cc1OC ZINC000655941997 600343482 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378.353 0.223 20 0 GCADHL CNC(=O)CN1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000830991853 600993785 /nfs/dbraw/zinc/99/37/85/600993785.db2.gz QMQHACOUICJVOY-UHFFFAOYSA-N -2 3 391.396 0.152 20 0 GCADHL Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000832861863 601093800 /nfs/dbraw/zinc/09/38/00/601093800.db2.gz LWHLEHFFMJIINL-JTQLQIEISA-N -3 3 375.385 0.365 20 0 GCADHL COC(=O)c1sc2[n-]c(CN(C)CC(C)(C)O)nc(=O)c2c1CC(=O)[O-] ZINC000831479875 601169152 /nfs/dbraw/zinc/16/91/52/601169152.db2.gz WRURXCRFWHWWLH-UHFFFAOYSA-N -2 3 383.426 0.601 20 0 GCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1C(=O)[O-] ZINC000833027749 601224342 /nfs/dbraw/zinc/22/43/42/601224342.db2.gz JBHRTLHFAYCILF-PRHODGIISA-N -2 3 382.398 0.492 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CN3CCC[C@@H]3CO2)c1F ZINC000327237570 601233586 /nfs/dbraw/zinc/23/35/86/601233586.db2.gz LNDVKPZZVZFTBY-ZJUUUORDSA-N -2 3 376.381 0.805 20 0 GCADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)c1F ZINC000327237567 601233659 /nfs/dbraw/zinc/23/36/59/601233659.db2.gz LNDVKPZZVZFTBY-NXEZZACHSA-N -2 3 376.381 0.805 20 0 GCADHL COC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000831591800 601267045 /nfs/dbraw/zinc/26/70/45/601267045.db2.gz ZEEFZMGLZKJOQS-CYBMUJFWSA-N -2 3 381.428 0.701 20 0 GCADHL CC(C)OCCS(=O)(=O)[N-]CC(=O)N(C)c1nc(CC(=O)[O-])cs1 ZINC000827031288 601373280 /nfs/dbraw/zinc/37/32/80/601373280.db2.gz ZNOBUBPUVYFXHG-UHFFFAOYSA-N -2 3 379.460 0.077 20 0 GCADHL COC[C@](C)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000831623851 601690730 /nfs/dbraw/zinc/69/07/30/601690730.db2.gz WOIMPMKYDOPKIO-HNNXBMFYSA-N -2 3 376.406 0.732 20 0 GCADHL O=C([O-])[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000833110234 601702872 /nfs/dbraw/zinc/70/28/72/601702872.db2.gz NGEWMBZMBUIRQT-JTQLQIEISA-N -2 3 397.272 0.768 20 0 GCADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F ZINC000826980593 601741193 /nfs/dbraw/zinc/74/11/93/601741193.db2.gz RJLHOYREESUXHD-LBPRGKRZSA-N -2 3 388.417 0.828 20 0 GCADHL O=C([O-])[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CCCCC1 ZINC000833119350 601787956 /nfs/dbraw/zinc/78/79/56/601787956.db2.gz AUOKYTWPUPLRQF-LLVKDONJSA-N -2 3 388.218 0.861 20 0 GCADHL C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769510333 602123888 /nfs/dbraw/zinc/12/38/88/602123888.db2.gz NWANVIPUOKGSJH-UWVGGRQHSA-N -2 3 375.834 0.725 20 0 GCADHL C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769510337 602124010 /nfs/dbraw/zinc/12/40/10/602124010.db2.gz NWANVIPUOKGSJH-ZJUUUORDSA-N -2 3 375.834 0.725 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCNC(=O)C2CC2)c(Br)o1 ZINC000160681258 602141388 /nfs/dbraw/zinc/14/13/88/602141388.db2.gz IUNIBJZUJBNOJS-UHFFFAOYSA-N -2 3 381.204 0.545 20 0 GCADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)N1CCOCC1 ZINC000761258924 602143810 /nfs/dbraw/zinc/14/38/10/602143810.db2.gz GWYISTJWHWBEII-MRVPVSSYSA-N -2 3 397.247 0.739 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCCNC2=O)c(Br)o1 ZINC000055313741 602144043 /nfs/dbraw/zinc/14/40/43/602144043.db2.gz WEHIFWGUIHTEPC-LURJTMIESA-N -2 3 381.204 0.687 20 0 GCADHL COCCN(CC(=O)[O-])C(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000769459287 602160883 /nfs/dbraw/zinc/16/08/83/602160883.db2.gz LZJAWSZRBXFGEI-SNVBAGLBSA-N -2 3 393.849 0.352 20 0 GCADHL CCc1nncn1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000830338805 602160996 /nfs/dbraw/zinc/16/09/96/602160996.db2.gz BEGBPUUHPVLMAG-UHFFFAOYSA-N -2 3 393.219 0.873 20 0 GCADHL COC[C@@](C)(NC(=O)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000831602847 602196183 /nfs/dbraw/zinc/19/61/83/602196183.db2.gz RIMFVUHMNVIJJX-YMTOWFKASA-N -2 3 393.849 0.398 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1OCCc2ccccc21 ZINC000826450630 607560111 /nfs/dbraw/zinc/56/01/11/607560111.db2.gz VQHJXVOHJJHCSC-HNNXBMFYSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1OCCc2ccccc21 ZINC000826450630 607560112 /nfs/dbraw/zinc/56/01/12/607560112.db2.gz VQHJXVOHJJHCSC-HNNXBMFYSA-N -2 3 385.405 0.986 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cnn2c1CCCC2 ZINC000826450061 607564762 /nfs/dbraw/zinc/56/47/62/607564762.db2.gz VQFPVCDMHWZINQ-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cnn2c1CCCC2 ZINC000826450061 607564763 /nfs/dbraw/zinc/56/47/63/607564763.db2.gz VQFPVCDMHWZINQ-UHFFFAOYSA-N -2 3 387.425 0.659 20 0 GCADHL COc1ccc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1-c1nnn[n-]1 ZINC000826205557 607605665 /nfs/dbraw/zinc/60/56/65/607605665.db2.gz AJXHDTKHGYETSH-UHFFFAOYSA-N -2 3 382.340 0.003 20 0 GCADHL COc1ccc(COC(=O)Cn2[n-]cc3c(=O)ncnc2-3)cc1-c1nn[n-]n1 ZINC000826205557 607605667 /nfs/dbraw/zinc/60/56/67/607605667.db2.gz AJXHDTKHGYETSH-UHFFFAOYSA-N -2 3 382.340 0.003 20 0 GCADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)s1 ZINC000828755651 604165501 /nfs/dbraw/zinc/16/55/01/604165501.db2.gz RNSYFBQYGGMDNC-UHFFFAOYSA-N 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CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)C[C@H](C)C(=O)[O-])c1 ZINC000830140630 604792878 /nfs/dbraw/zinc/79/28/78/604792878.db2.gz RCCYOEISYTZSBB-QMMMGPOBSA-N -3 3 379.412 0.641 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825522993 607776368 /nfs/dbraw/zinc/77/63/68/607776368.db2.gz MFGCRAPMLWUAFZ-UHFFFAOYSA-N -2 3 382.402 0.198 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825522993 607776369 /nfs/dbraw/zinc/77/63/69/607776369.db2.gz MFGCRAPMLWUAFZ-UHFFFAOYSA-N -2 3 382.402 0.198 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])C2CC2)cc1F ZINC000776577188 604810152 /nfs/dbraw/zinc/81/01/52/604810152.db2.gz JCTUWWREEWDOHE-GFCCVEGCSA-N -2 3 380.419 0.729 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000823999677 607776441 /nfs/dbraw/zinc/77/64/41/607776441.db2.gz GXGQBFFAHUCSQZ-UHFFFAOYSA-N -2 3 375.370 0.272 20 0 GCADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000823999677 607776442 /nfs/dbraw/zinc/77/64/42/607776442.db2.gz GXGQBFFAHUCSQZ-UHFFFAOYSA-N -2 3 375.370 0.272 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NC2CN(C(=O)[O-])C2)CCCC1 ZINC000830914003 604952187 /nfs/dbraw/zinc/95/21/87/604952187.db2.gz LYSCANWWSIMHGV-UHFFFAOYSA-N -2 3 386.430 0.361 20 0 GCADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(-c2nc[nH]n2)no1 ZINC000833471473 605078091 /nfs/dbraw/zinc/07/80/91/605078091.db2.gz RWYQDWDXMFUOJA-JTQLQIEISA-N -2 3 395.401 0.567 20 0 GCADHL CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000833648736 605177220 /nfs/dbraw/zinc/17/72/20/605177220.db2.gz KXYWTXXZSYRXML-RYUDHWBXSA-N -2 3 386.474 0.978 20 0 GCADHL Cn1ccnc1CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1=O ZINC000833761167 605269528 /nfs/dbraw/zinc/26/95/28/605269528.db2.gz YVOYTBMPHOPMKT-LLVKDONJSA-N -2 3 382.398 0.181 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000820187544 606133714 /nfs/dbraw/zinc/13/37/14/606133714.db2.gz GTWIBVXISFNDAV-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000820187544 606133716 /nfs/dbraw/zinc/13/37/16/606133716.db2.gz GTWIBVXISFNDAV-UHFFFAOYSA-N -2 3 375.414 0.842 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822709693 606157029 /nfs/dbraw/zinc/15/70/29/606157029.db2.gz QPZUZEXZVCOOKQ-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL Cn1ncc2cc(C(=O)[N-]S(=O)(=O)Cc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822709693 606157031 /nfs/dbraw/zinc/15/70/31/606157031.db2.gz QPZUZEXZVCOOKQ-UHFFFAOYSA-N -2 3 398.408 0.408 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000819866178 606176960 /nfs/dbraw/zinc/17/69/60/606176960.db2.gz KGHFFVIQERKBMG-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL C[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000819866178 606176962 /nfs/dbraw/zinc/17/69/62/606176962.db2.gz KGHFFVIQERKBMG-SNVBAGLBSA-N -2 3 375.414 0.350 20 0 GCADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(-n2cnnn2)c1 ZINC000823582805 606212445 /nfs/dbraw/zinc/21/24/45/606212445.db2.gz BBCOKPSKAJMUEP-UHFFFAOYSA-N -2 3 385.369 0.349 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823266325 606298055 /nfs/dbraw/zinc/29/80/55/606298055.db2.gz SRHYBBQRRKTKIB-UHFFFAOYSA-N -2 3 382.340 0.792 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823265619 606298058 /nfs/dbraw/zinc/29/80/58/606298058.db2.gz BNWWZRCUORUHPB-UHFFFAOYSA-N -2 3 379.340 0.808 20 0 GCADHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823265619 606298059 /nfs/dbraw/zinc/29/80/59/606298059.db2.gz BNWWZRCUORUHPB-UHFFFAOYSA-N -2 3 379.340 0.808 20 0 GCADHL CCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C)c1nnn[n-]1 ZINC000821021378 606305598 /nfs/dbraw/zinc/30/55/98/606305598.db2.gz NTTZFNSXLVZTHY-LLVKDONJSA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nnn[n-]1 ZINC000821021378 606305600 /nfs/dbraw/zinc/30/56/00/606305600.db2.gz NTTZFNSXLVZTHY-LLVKDONJSA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nnn[n-]2)c1C)c1nn[n-]n1 ZINC000821021378 606305602 /nfs/dbraw/zinc/30/56/02/606305602.db2.gz NTTZFNSXLVZTHY-LLVKDONJSA-N -2 3 386.420 0.687 20 0 GCADHL CCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C)c1nn[n-]n1 ZINC000821021378 606305604 /nfs/dbraw/zinc/30/56/04/606305604.db2.gz NTTZFNSXLVZTHY-LLVKDONJSA-N -2 3 386.420 0.687 20 0 GCADHL O=c1nc2[nH]cc(S(=O)(=O)Oc3ccccc3-c3nnn[n-]3)cc-2c(=O)[n-]1 ZINC000823658045 606493047 /nfs/dbraw/zinc/49/30/47/606493047.db2.gz YXGPXKJVAZJOMP-UHFFFAOYSA-N -2 3 387.337 0.384 20 0 GCADHL O=c1nc2[nH]cc(S(=O)(=O)Oc3ccccc3-c3nn[n-]n3)cc-2c(=O)[n-]1 ZINC000823658045 606493049 /nfs/dbraw/zinc/49/30/49/606493049.db2.gz YXGPXKJVAZJOMP-UHFFFAOYSA-N -2 3 387.337 0.384 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)n(-c2ncccn2)n1 ZINC000822209728 606695817 /nfs/dbraw/zinc/69/58/17/606695817.db2.gz UIUBDDJJLNVDME-UHFFFAOYSA-N -2 3 384.385 0.347 20 0 GCADHL CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3nn(C)cc3-c3nnn[n-]3)ccc21 ZINC000819796384 606708686 /nfs/dbraw/zinc/70/86/86/606708686.db2.gz GYGBRMHSGGIZCU-UHFFFAOYSA-N -2 3 388.413 0.310 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 ZINC000822622415 606709949 /nfs/dbraw/zinc/70/99/49/606709949.db2.gz CPTYUOKAZBDBQJ-UHFFFAOYSA-N -2 3 388.413 0.676 20 0 GCADHL COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1 ZINC000821666896 606710711 /nfs/dbraw/zinc/71/07/11/606710711.db2.gz LHUJCIZUFOWJFF-UHFFFAOYSA-N -2 3 391.413 0.804 20 0 GCADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000821787305 606710798 /nfs/dbraw/zinc/71/07/98/606710798.db2.gz RFQLDISQMMMSAC-UHFFFAOYSA-N -3 3 393.385 0.037 20 0 GCADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000822622616 606711243 /nfs/dbraw/zinc/71/12/43/606711243.db2.gz FXIINLXFMPLMNI-UHFFFAOYSA-N -2 3 377.386 0.562 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821175431 606745605 /nfs/dbraw/zinc/74/56/05/606745605.db2.gz NAVMBXZXMHJEHI-UHFFFAOYSA-N -2 3 380.430 0.320 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821175431 606745606 /nfs/dbraw/zinc/74/56/06/606745606.db2.gz NAVMBXZXMHJEHI-UHFFFAOYSA-N -2 3 380.430 0.320 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821175702 606746152 /nfs/dbraw/zinc/74/61/52/606746152.db2.gz SZURMSROXHAIDJ-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL CCN(CC)C(=O)CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821175702 606746154 /nfs/dbraw/zinc/74/61/54/606746154.db2.gz SZURMSROXHAIDJ-UHFFFAOYSA-N -2 3 394.457 0.461 20 0 GCADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(-c2ccccn2)n1 ZINC000822684559 606779612 /nfs/dbraw/zinc/77/96/12/606779612.db2.gz BFORGKBXRMLMIC-UHFFFAOYSA-N -2 3 383.397 0.858 20 0 GCADHL COc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C(N)=O ZINC000821920468 606788576 /nfs/dbraw/zinc/78/85/76/606788576.db2.gz SPPOUTIMWGHQRI-UHFFFAOYSA-N -2 3 389.397 0.478 20 0 GCADHL C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820249103 606794021 /nfs/dbraw/zinc/79/40/21/606794021.db2.gz QYTUQFYCTOSFAN-SSDOTTSWSA-N -2 3 395.413 0.246 20 0 GCADHL Cc1nn2c([n-]nc2SCCCOc2cccc(-c3nnn[n-]3)c2)nc1=O ZINC000822505173 606867490 /nfs/dbraw/zinc/86/74/90/606867490.db2.gz BACNSEQXYDUNRK-UHFFFAOYSA-N -2 3 385.413 0.862 20 0 GCADHL Cc1nn2c([n-]nc2SCCCOc2cccc(-c3nn[n-]n3)c2)nc1=O ZINC000822505173 606867492 /nfs/dbraw/zinc/86/74/92/606867492.db2.gz BACNSEQXYDUNRK-UHFFFAOYSA-N -2 3 385.413 0.862 20 0 GCADHL O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000823612860 606872811 /nfs/dbraw/zinc/87/28/11/606872811.db2.gz FIVKABXULYSIOW-UHFFFAOYSA-N -2 3 392.422 0.392 20 0 GCADHL O=S(=O)([N-]c1ccc2c(c1)S(=O)(=O)CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000823612860 606872814 /nfs/dbraw/zinc/87/28/14/606872814.db2.gz FIVKABXULYSIOW-UHFFFAOYSA-N -2 3 392.422 0.392 20 0 GCADHL CC(C)OC(=O)CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820142667 606884354 /nfs/dbraw/zinc/88/43/54/606884354.db2.gz QJDNAYSIGNJURX-UHFFFAOYSA-N -2 3 375.357 0.765 20 0 GCADHL O=C(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)NCc1ccco1 ZINC000823009477 606885209 /nfs/dbraw/zinc/88/52/09/606885209.db2.gz KBTHZRDHPXOVDW-UHFFFAOYSA-N -2 3 398.351 0.333 20 0 GCADHL NC(=O)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000822851684 606885559 /nfs/dbraw/zinc/88/55/59/606885559.db2.gz YWFSOJCKXQFSEX-LBPRGKRZSA-N -2 3 394.363 0.650 20 0 GCADHL C[C@H](CN1CCCC1=O)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254750 606885786 /nfs/dbraw/zinc/88/57/86/606885786.db2.gz WDIMSRZGASNNSX-MRVPVSSYSA-N -2 3 386.384 0.434 20 0 GCADHL COC(=O)CSCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821662878 606890278 /nfs/dbraw/zinc/89/02/78/606890278.db2.gz XKOGVLLAIJPFMG-UHFFFAOYSA-N -2 3 393.397 0.329 20 0 GCADHL O=S(=O)([N-][C@@H]1CCCS(=O)(=O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823615032 606890691 /nfs/dbraw/zinc/89/06/91/606890691.db2.gz YHLCOCLHTBRGGJ-MRVPVSSYSA-N -2 3 393.397 0.000 20 0 GCADHL O=S(=O)([N-][C@H]1CCCS(=O)(=O)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823615033 606891228 /nfs/dbraw/zinc/89/12/28/606891228.db2.gz YHLCOCLHTBRGGJ-QMMMGPOBSA-N -2 3 393.397 0.000 20 0 GCADHL NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822858483 606894164 /nfs/dbraw/zinc/89/41/64/606894164.db2.gz AXNXGCLYPGJJRB-KWQFWETISA-N -2 3 386.384 0.467 20 0 GCADHL NC(=O)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822884850 606894263 /nfs/dbraw/zinc/89/42/63/606894263.db2.gz BCNJYWJXSQZQDX-UHFFFAOYSA-N -2 3 384.324 0.315 20 0 GCADHL O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC000823387811 606975671 /nfs/dbraw/zinc/97/56/71/606975671.db2.gz YVSUPCRMRQIXNA-MRVPVSSYSA-N -3 3 389.777 0.116 20 0 GCADHL O=C([O-])CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC000823387811 606975672 /nfs/dbraw/zinc/97/56/72/606975672.db2.gz YVSUPCRMRQIXNA-MRVPVSSYSA-N -3 3 389.777 0.116 20 0 GCADHL C[C@H](CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)[S@@](C)=O ZINC000820240742 607005973 /nfs/dbraw/zinc/00/59/73/607005973.db2.gz DDRMNIRMUSYYIR-GJAJDEHISA-N -2 3 379.414 0.580 20 0 GCADHL Cn1c2ccc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc2n(C)c1=O ZINC000822596855 607026158 /nfs/dbraw/zinc/02/61/58/607026158.db2.gz WWUIWPIQRCZSML-UHFFFAOYSA-N -2 3 392.426 0.314 20 0 GCADHL Cn1cc(S(=O)(=O)[N-]C(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000822684829 607078730 /nfs/dbraw/zinc/07/87/30/607078730.db2.gz LBGFOLOQSOJBDV-UHFFFAOYSA-N -2 3 391.413 0.263 20 0 GCADHL COC[C@H](C)S(=O)(=O)[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821682409 607089567 /nfs/dbraw/zinc/08/95/67/607089567.db2.gz DVWBWOBPMGIZKN-JTQLQIEISA-N -2 3 383.430 0.505 20 0 GCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[N-]OCC(F)(F)F ZINC000823055392 607100152 /nfs/dbraw/zinc/10/01/52/607100152.db2.gz ODWQLZPHFJPRAK-UHFFFAOYSA-N -2 3 379.320 0.392 20 0 GCADHL O=C(CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[N-]OCC(F)(F)F ZINC000823055392 607100153 /nfs/dbraw/zinc/10/01/53/607100153.db2.gz ODWQLZPHFJPRAK-UHFFFAOYSA-N -2 3 379.320 0.392 20 0 GCADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000820535093 607106005 /nfs/dbraw/zinc/10/60/05/607106005.db2.gz NNANVELVXCJLGG-NSHDSACASA-N -2 3 375.385 0.726 20 0 GCADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000820535093 607106006 /nfs/dbraw/zinc/10/60/06/607106006.db2.gz NNANVELVXCJLGG-NSHDSACASA-N -2 3 375.385 0.726 20 0 GCADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2)n1 ZINC000822154807 607210785 /nfs/dbraw/zinc/21/07/85/607210785.db2.gz ZVGJWGJXDNRYFX-UHFFFAOYSA-N -2 3 378.356 0.156 20 0 GCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000823269405 607231775 /nfs/dbraw/zinc/23/17/75/607231775.db2.gz FRSBNJYWWOZGEE-UHFFFAOYSA-N -2 3 390.791 0.815 20 0 GCADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823269405 607231776 /nfs/dbraw/zinc/23/17/76/607231776.db2.gz FRSBNJYWWOZGEE-UHFFFAOYSA-N -2 3 390.791 0.815 20 0 GCADHL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826211373 607776825 /nfs/dbraw/zinc/77/68/25/607776825.db2.gz ZKFSDBKIFTURAF-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826211373 607776826 /nfs/dbraw/zinc/77/68/26/607776826.db2.gz ZKFSDBKIFTURAF-UHFFFAOYSA-N -2 3 378.370 0.331 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450387 607776963 /nfs/dbraw/zinc/77/69/63/607776963.db2.gz JYLFIFDOFMWLHO-UHFFFAOYSA-N -2 3 376.354 0.085 20 0 GCADHL O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450387 607776964 /nfs/dbraw/zinc/77/69/64/607776964.db2.gz JYLFIFDOFMWLHO-UHFFFAOYSA-N -2 3 376.354 0.085 20 0 GCADHL CCOC(=O)NCCCC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825524012 607778367 /nfs/dbraw/zinc/77/83/67/607778367.db2.gz YLXBGHDCIBVLND-UHFFFAOYSA-N -2 3 396.429 0.506 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1N(C)C ZINC000826292600 607779681 /nfs/dbraw/zinc/77/96/81/607779681.db2.gz CGCIAHHDHZNOFM-UHFFFAOYSA-N -2 3 375.414 0.688 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1N(C)C ZINC000826292600 607779682 /nfs/dbraw/zinc/77/96/82/607779682.db2.gz CGCIAHHDHZNOFM-UHFFFAOYSA-N -2 3 375.414 0.688 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000825760431 607837443 /nfs/dbraw/zinc/83/74/43/607837443.db2.gz ZPEVIMBEIUGNAB-UHFFFAOYSA-N -2 3 395.470 0.905 20 0 GCADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000825760431 607837444 /nfs/dbraw/zinc/83/74/44/607837444.db2.gz ZPEVIMBEIUGNAB-UHFFFAOYSA-N -2 3 395.470 0.905 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2ccnn2)c1 ZINC000826450340 607922844 /nfs/dbraw/zinc/92/28/44/607922844.db2.gz HONKXSUALYOLKU-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2ccnn2)c1 ZINC000826450340 607922845 /nfs/dbraw/zinc/92/28/45/607922845.db2.gz HONKXSUALYOLKU-UHFFFAOYSA-N -2 3 396.392 0.566 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236376 607985670 /nfs/dbraw/zinc/98/56/70/607985670.db2.gz JMIFAESIJPJPDP-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL Cc1c(CCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236376 607985671 /nfs/dbraw/zinc/98/56/71/607985671.db2.gz JMIFAESIJPJPDP-UHFFFAOYSA-N -2 3 375.414 0.346 20 0 GCADHL O=C([O-])CCCNS(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000826461396 608010384 /nfs/dbraw/zinc/01/03/84/608010384.db2.gz SJNQNJMNCZOTTH-UHFFFAOYSA-N -2 3 390.219 0.772 20 0 GCADHL O=C([O-])CCCNS(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000826461396 608010385 /nfs/dbraw/zinc/01/03/85/608010385.db2.gz SJNQNJMNCZOTTH-UHFFFAOYSA-N -2 3 390.219 0.772 20 0 GCADHL O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826461327 608011670 /nfs/dbraw/zinc/01/16/70/608011670.db2.gz PUAAIWJRYALFRD-CYBMUJFWSA-N -2 3 391.384 0.980 20 0 GCADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1 ZINC000826279688 608142739 /nfs/dbraw/zinc/14/27/39/608142739.db2.gz YBCRSKZZDVCXFJ-UHFFFAOYSA-N -2 3 389.441 0.691 20 0 GCADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1cnn(C)c1 ZINC000826279688 608142740 /nfs/dbraw/zinc/14/27/40/608142740.db2.gz YBCRSKZZDVCXFJ-UHFFFAOYSA-N -2 3 389.441 0.691 20 0 GCADHL O=C(CN1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1)[N-]OCc1ccccc1 ZINC000826411352 608259579 /nfs/dbraw/zinc/25/95/79/608259579.db2.gz VWUBERNZYYFGCY-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL O=C(CN1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1)[N-]OCc1ccccc1 ZINC000826411352 608259580 /nfs/dbraw/zinc/25/95/80/608259580.db2.gz VWUBERNZYYFGCY-UHFFFAOYSA-N -2 3 394.439 0.632 20 0 GCADHL Cc1ccc(S(=O)(=O)[N-]c2nc(C)nn2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826327690 608305696 /nfs/dbraw/zinc/30/56/96/608305696.db2.gz QFKLODHBQMQEAS-UHFFFAOYSA-N -2 3 386.397 0.880 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000825356890 608316563 /nfs/dbraw/zinc/31/65/63/608316563.db2.gz ONVLEVXKOHFITG-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000825356890 608316565 /nfs/dbraw/zinc/31/65/65/608316565.db2.gz ONVLEVXKOHFITG-UHFFFAOYSA-N -2 3 376.402 0.128 20 0 GCADHL COC[C@](C)([N-]S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F)C(=O)OC ZINC000826148285 608339237 /nfs/dbraw/zinc/33/92/37/608339237.db2.gz DRUGEAYMJHJJCF-AWEZNQCLSA-N -2 3 387.393 0.003 20 0 GCADHL Cc1nc(SCC(=O)OCc2n[nH]c(=O)[n-]2)c(-c2nnn[n-]2)c(C)c1C ZINC000826327590 608439976 /nfs/dbraw/zinc/43/99/76/608439976.db2.gz NELHUZCNNOOGCR-UHFFFAOYSA-N -2 3 376.402 0.846 20 0 GCADHL Cc1nc(SCC(=O)OCc2n[nH]c(=O)[n-]2)c(-c2nn[n-]n2)c(C)c1C ZINC000826327590 608439978 /nfs/dbraw/zinc/43/99/78/608439978.db2.gz NELHUZCNNOOGCR-UHFFFAOYSA-N -2 3 376.402 0.846 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nnn[n-]3)c2)nc1C ZINC000825805026 608822154 /nfs/dbraw/zinc/82/21/54/608822154.db2.gz OQGFYGXUURWFHO-UHFFFAOYSA-N -2 3 391.413 0.275 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)COc2cccc(-c3nn[n-]n3)c2)nc1C ZINC000825805026 608822156 /nfs/dbraw/zinc/82/21/56/608822156.db2.gz OQGFYGXUURWFHO-UHFFFAOYSA-N -2 3 391.413 0.275 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)nc1C ZINC000825804522 608822303 /nfs/dbraw/zinc/82/23/03/608822303.db2.gz CLHMWSZEKKIULY-CMDGGOBGSA-N -2 3 387.425 0.910 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)nc1C ZINC000825804522 608822305 /nfs/dbraw/zinc/82/23/05/608822305.db2.gz CLHMWSZEKKIULY-CMDGGOBGSA-N -2 3 387.425 0.910 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824744311 609160969 /nfs/dbraw/zinc/16/09/69/609160969.db2.gz ADAXPCFYTBMHQJ-GHMZBOCLSA-N -2 3 381.414 0.259 20 0 GCADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824744311 609160971 /nfs/dbraw/zinc/16/09/71/609160971.db2.gz ADAXPCFYTBMHQJ-GHMZBOCLSA-N -2 3 381.414 0.259 20 0 GCADHL CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000824171613 609161128 /nfs/dbraw/zinc/16/11/28/609161128.db2.gz DEROEEWUIHNOQN-CYBMUJFWSA-N -2 3 395.441 0.649 20 0 GCADHL CC(C)N(C)S(=O)(=O)[N-]C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000824288419 609255743 /nfs/dbraw/zinc/25/57/43/609255743.db2.gz FHNYUXBUOOPENF-CQSZACIVSA-N -2 3 393.473 0.537 20 0 GCADHL COC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000826149977 609257092 /nfs/dbraw/zinc/25/70/92/609257092.db2.gz TZONOFQVAFDWIZ-RISCZKNCSA-N -2 3 394.457 0.316 20 0 GCADHL C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000824738845 609365844 /nfs/dbraw/zinc/36/58/44/609365844.db2.gz RULSGQLZMMDRIV-MFKMUULPSA-N -2 3 381.414 0.259 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000825356851 609400220 /nfs/dbraw/zinc/40/02/20/609400220.db2.gz MZYSUJXYRHPSSK-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825356851 609400222 /nfs/dbraw/zinc/40/02/22/609400222.db2.gz MZYSUJXYRHPSSK-UHFFFAOYSA-N -2 3 375.414 0.733 20 0 GCADHL CC[C@]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)(C(N)=O)C(C)C ZINC000825146552 609401847 /nfs/dbraw/zinc/40/18/47/609401847.db2.gz CVGLBTQFVLXGLJ-CQSZACIVSA-N -2 3 388.400 0.713 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cn1 ZINC000825356635 609403718 /nfs/dbraw/zinc/40/37/18/609403718.db2.gz BPBHWMVNUFWNCJ-UHFFFAOYSA-N -2 3 375.414 0.900 20 0 GCADHL CCCn1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cn1 ZINC000825356635 609403719 /nfs/dbraw/zinc/40/37/19/609403719.db2.gz BPBHWMVNUFWNCJ-UHFFFAOYSA-N -2 3 375.414 0.900 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)cn1 ZINC000825643936 609406107 /nfs/dbraw/zinc/40/61/07/609406107.db2.gz XFXPTXZFCNYFJV-UHFFFAOYSA-N -2 3 380.411 0.841 20 0 GCADHL CCOc1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)cn1 ZINC000825643936 609406109 /nfs/dbraw/zinc/40/61/09/609406109.db2.gz XFXPTXZFCNYFJV-UHFFFAOYSA-N -2 3 380.411 0.841 20 0 GCADHL Cc1nnc2n1C[C@H]([N-]S(=O)(=O)c1c(F)cc(-c3nn[n-]n3)cc1F)CC2 ZINC000826337057 609500224 /nfs/dbraw/zinc/50/02/24/609500224.db2.gz ADHGZLQHZPEMOR-SECBINFHSA-N -2 3 396.383 0.338 20 0 GCADHL O=C1C[C@H](C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CN1C1CC1 ZINC000826479327 609585560 /nfs/dbraw/zinc/58/55/60/609585560.db2.gz WQZRPFBHPZNIOC-MRVPVSSYSA-N -2 3 398.395 0.434 20 0 GCADHL CN(C)C(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000840900054 638618589 /nfs/dbraw/zinc/61/85/89/638618589.db2.gz SVRVKARHKQJWQQ-UHFFFAOYSA-N -2 3 381.204 0.639 20 0 GCADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-] ZINC000841783093 639233860 /nfs/dbraw/zinc/23/38/60/639233860.db2.gz MLXSOMINUQWURK-LLVKDONJSA-N -2 3 386.195 0.711 20 0 GCADHL O=C([N-][N-]S(=O)(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCS(=O)(=O)C1 ZINC000057124984 639593571 /nfs/dbraw/zinc/59/35/71/639593571.db2.gz VGCNIJKMXGHHFZ-CYBMUJFWSA-N -2 3 387.483 0.245 20 0 GCADHL C[N-]S(=O)(=O)c1ccc(C(=O)OCC([O-])=C(C#N)c2nc(C)cs2)o1 ZINC000046315480 639624475 /nfs/dbraw/zinc/62/44/75/639624475.db2.gz VPTZXKIWJROHLU-VIFPVBQESA-N -2 3 383.407 0.986 20 0 GCADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1S(N)(=O)=O ZINC000751213039 640378111 /nfs/dbraw/zinc/37/81/11/640378111.db2.gz MTKASLHASJPCCP-UHFFFAOYSA-N -3 3 386.407 0.847 20 0 GCADHL C[S@@](=O)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761289250 640591065 /nfs/dbraw/zinc/59/10/65/640591065.db2.gz ANTXOMNFZKQJMR-QGZVFWFLSA-N -2 3 376.275 0.866 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCC[C@@H]3CO2)c(F)cc1F ZINC000761293783 640591763 /nfs/dbraw/zinc/59/17/63/640591763.db2.gz OPGXGRKWSVTXAJ-NXEZZACHSA-N -2 3 376.381 0.805 20 0 GCADHL O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCc1ccc([O-])c(Br)c1 ZINC000768295885 640749552 /nfs/dbraw/zinc/74/95/52/640749552.db2.gz NATXVUJTUNZFAX-UHFFFAOYSA-N -2 3 378.186 0.856 20 0 GCADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000776438649 641095509 /nfs/dbraw/zinc/09/55/09/641095509.db2.gz WYXJFDCCPXDRBU-MRVPVSSYSA-N -2 3 388.789 0.219 20 0 GCADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776520832 641099066 /nfs/dbraw/zinc/09/90/66/641099066.db2.gz HDDFJYGCHPBODA-ZETCQYMHSA-N -2 3 394.789 0.206 20 0 GCADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1 ZINC000776584393 641104389 /nfs/dbraw/zinc/10/43/89/641104389.db2.gz KXGSBOHNZGFVRA-CQSZACIVSA-N -3 3 377.346 0.456 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)C2(C(=O)[O-])CCC2)cc1F ZINC000863957029 641254435 /nfs/dbraw/zinc/25/44/35/641254435.db2.gz WUILDNSHHMZTEV-UHFFFAOYSA-N -3 3 394.402 0.257 20 0 GCADHL O=C([O-])CN1CCC([N-]S(=O)(=O)c2ccc(Br)nc2F)CC1 ZINC000864501133 641266574 /nfs/dbraw/zinc/26/65/74/641266574.db2.gz LMXWJASCKKWLGY-UHFFFAOYSA-N -2 3 396.238 0.811 20 0 GCADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(=O)CCn2cccn2)cc1F ZINC000784897323 641296946 /nfs/dbraw/zinc/29/69/46/641296946.db2.gz PPMRDRMQDOPQGM-UHFFFAOYSA-N -2 3 390.418 0.289 20 0 GCADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1C ZINC000784896908 641296965 /nfs/dbraw/zinc/29/69/65/641296965.db2.gz AQKDLAIWMSHHDS-UHFFFAOYSA-N -2 3 389.430 0.963 20 0 GCADHL Cn1ccc(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000784896801 641297154 /nfs/dbraw/zinc/29/71/54/641297154.db2.gz NXWPZVUVYJGVED-UHFFFAOYSA-N -2 3 375.403 0.654 20 0 GCADHL COC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898428 641298069 /nfs/dbraw/zinc/29/80/69/641298069.db2.gz XHAFLPXPCNKARJ-VIFPVBQESA-N -2 3 382.435 0.675 20 0 GCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2(O)CCOCC2)c(Br)o1 ZINC000794837218 641499090 /nfs/dbraw/zinc/49/90/90/641499090.db2.gz PWQZYHDBPVXHEJ-UHFFFAOYSA-N -2 3 398.231 0.950 20 0 GCADHL CCOCC1(C(=O)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000799619604 641608812 /nfs/dbraw/zinc/60/88/12/641608812.db2.gz KPVPJBFHUZARLT-UHFFFAOYSA-N -2 3 394.446 0.819 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000824280438 642035729 /nfs/dbraw/zinc/03/57/29/642035729.db2.gz NRIXHUBMJUHXBK-UHFFFAOYSA-N -2 3 381.443 0.899 20 0 GCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000824280438 642035740 /nfs/dbraw/zinc/03/57/40/642035740.db2.gz NRIXHUBMJUHXBK-UHFFFAOYSA-N -2 3 381.443 0.899 20 0 GCADHL C[C@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000083972510 642059727 /nfs/dbraw/zinc/05/97/27/642059727.db2.gz KKPHNEDKBUIGFN-RXMQYKEDSA-N -2 3 390.233 0.452 20 0 GCADHL C[C@@H](CC(N)=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000827398181 642075663 /nfs/dbraw/zinc/07/56/63/642075663.db2.gz SXOSKUZOUOTIGY-YFKPBYRVSA-N -2 3 383.195 0.829 20 0 GCADHL O=C([O-])[C@@H]1CCCN1S(=O)(=O)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000829193241 642111945 /nfs/dbraw/zinc/11/19/45/642111945.db2.gz UUEGWGMJYCVBDM-WCQYABFASA-N -2 3 382.360 0.820 20 0 GCADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000837297043 642271895 /nfs/dbraw/zinc/27/18/95/642271895.db2.gz XOIRARBLVRHQKH-SNVBAGLBSA-N -2 3 380.419 0.172 20 0 GCADHL COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000844799520 642412307 /nfs/dbraw/zinc/41/23/07/642412307.db2.gz SKMWGFJANVIZEE-SECBINFHSA-N -2 3 382.797 0.751 20 0 GCADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2COCCO2)s1 ZINC000844892375 642416990 /nfs/dbraw/zinc/41/69/90/642416990.db2.gz BWLBWNQTALJSGV-ZCFIWIBFSA-N -2 3 386.245 0.903 20 0 GCADHL CCO[N-]C(=O)CNC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000846496912 642488896 /nfs/dbraw/zinc/48/88/96/642488896.db2.gz GVMRKCRNJUBYAQ-UHFFFAOYSA-N -2 3 384.241 0.456 20 0 GCADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCOCC2)c1 ZINC000848677520 642549854 /nfs/dbraw/zinc/54/98/54/642549854.db2.gz HOIMJXPEHKMQSI-UHFFFAOYSA-N -2 3 375.374 0.833 20 0 GCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)CCCS(=O)(=O)[N-]c2cnsn2)n1 ZINC000848966427 642607355 /nfs/dbraw/zinc/60/73/55/642607355.db2.gz OZLRVGGWZUZJCL-ZETCQYMHSA-N -2 3 396.476 0.042 20 0 GCADHL O=C(CNC(=O)c1c([O-])cc(F)cc1F)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000051383849 1192203693 /nfs/dbraw/zinc/20/36/93/1192203693.db2.gz QYGIFJKLXBGFGR-UHFFFAOYSA-N -2 3 390.302 0.981 20 0 GCADHL COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-][N-]C(=O)c2ccccn2)c1 ZINC000016099744 1192317371 /nfs/dbraw/zinc/31/73/71/1192317371.db2.gz SZRMYUMCSITFHW-UHFFFAOYSA-N -2 3 393.377 0.278 20 0 GCADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c[n-]1 ZINC000585730506 1192399129 /nfs/dbraw/zinc/39/91/29/1192399129.db2.gz VXQDMXMJKIKQNW-UHFFFAOYSA-N -2 3 379.398 0.578 20 0 GCADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cnn(CC(F)F)c1 ZINC000585733170 1192399670 /nfs/dbraw/zinc/39/96/70/1192399670.db2.gz LQZWABIQMQNUDF-UHFFFAOYSA-N -2 3 392.340 0.850 20 0 GCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])oc1C ZINC000548554273 1186314309 /nfs/dbraw/zinc/31/43/09/1186314309.db2.gz FUHYRTKOAWSUFE-JTQLQIEISA-N -2 3 391.398 0.838 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](CCC)c1nnn[n-]1)c1nnn[n-]1 ZINC000612062712 1187247918 /nfs/dbraw/zinc/24/79/18/1187247918.db2.gz XFUGCOUERZFTNG-IYKVGLELSA-N -2 3 390.452 0.210 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](CCC)c1nnn[n-]1)c1nn[n-]n1 ZINC000612062712 1187247921 /nfs/dbraw/zinc/24/79/21/1187247921.db2.gz XFUGCOUERZFTNG-IYKVGLELSA-N -2 3 390.452 0.210 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](CCC)c1nn[n-]n1)c1nnn[n-]1 ZINC000612062712 1187247926 /nfs/dbraw/zinc/24/79/26/1187247926.db2.gz XFUGCOUERZFTNG-IYKVGLELSA-N -2 3 390.452 0.210 20 0 GCADHL CCC[C@@H](NC(=O)[C@@H]1[C@H](C)[C@H]1C(=O)N[C@@H](CCC)c1nn[n-]n1)c1nn[n-]n1 ZINC000612062712 1187247927 /nfs/dbraw/zinc/24/79/27/1187247927.db2.gz XFUGCOUERZFTNG-IYKVGLELSA-N -2 3 390.452 0.210 20 0 GCADHL NC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000512724957 1193745160 /nfs/dbraw/zinc/74/51/60/1193745160.db2.gz IJDSCAITHYYGOT-UHFFFAOYSA-N -2 3 386.389 0.812 20 0 GCADHL COC(=O)CCN1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)[C@@H](C)C1 ZINC000271755850 1194410221 /nfs/dbraw/zinc/41/02/21/1194410221.db2.gz UNVWBACBSOHRCH-NSHDSACASA-N -2 3 389.412 0.454 20 0 GCADHL COCC(C)(C)N1CCN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CC1 ZINC000425002252 1194834990 /nfs/dbraw/zinc/83/49/90/1194834990.db2.gz QJKIMBGTZJOHLJ-UHFFFAOYSA-N -2 3 375.429 0.927 20 0 GCADHL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC000524409613 1196593050 /nfs/dbraw/zinc/59/30/50/1196593050.db2.gz CDYHBJUTFBSADQ-GFCCVEGCSA-N -2 3 395.441 0.258 20 0 GCADHL COc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc([N-]S(C)(=O)=O)c1OC ZINC000525723891 1196704443 /nfs/dbraw/zinc/70/44/43/1196704443.db2.gz VNOLQSJSHIALLL-LLVKDONJSA-N -2 3 398.441 0.317 20 0 GCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000525824885 1196714282 /nfs/dbraw/zinc/71/42/82/1196714282.db2.gz APSOPNIYGZCTME-ZDUSSCGKSA-N -2 3 394.453 0.419 20 0 GCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262406269 1197530507 /nfs/dbraw/zinc/53/05/07/1197530507.db2.gz IJDDIUGJULQFTL-PWSUYJOCSA-N -2 3 385.442 0.672 20 0 GCADHL CCn1cc(S(=O)(=O)[N-]c2c(C(=O)OC)c[n-]c2C(=O)OC)cc1C(=O)[O-] ZINC000276608685 1199825257 /nfs/dbraw/zinc/82/52/57/1199825257.db2.gz SGTUJUAWYHXRPV-UHFFFAOYSA-N -3 3 399.381 0.908 20 0 GCADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000732340554 1201535825 /nfs/dbraw/zinc/53/58/25/1201535825.db2.gz HTQKAHOUOYGUGB-UHFFFAOYSA-N -2 3 385.357 0.749 20 0 GCADHL COC(=O)[C@@H]1C[C@@H](NC2(P(=O)([O-])[O-])Cc3ccccc3C2)C[C@@H]1C(=O)OC ZINC001173564397 1205723430 /nfs/dbraw/zinc/72/34/30/1205723430.db2.gz KQDQXAMAEFCHNY-QKDCVEJESA-N -2 3 397.364 0.990 20 0 GCADHL COc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)cc([N-]S(C)(=O)=O)c1OC ZINC001175552791 1205738929 /nfs/dbraw/zinc/73/89/29/1205738929.db2.gz NFMJZXRTQHZEOT-VIFPVBQESA-N -2 3 396.429 0.218 20 0 GCADHL CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001178665601 1205791621 /nfs/dbraw/zinc/79/16/21/1205791621.db2.gz UGFOFJLQBPKPRH-RYUDHWBXSA-N -2 3 380.378 0.678 20 0 GCADHL Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001183225406 1205889466 /nfs/dbraw/zinc/88/94/66/1205889466.db2.gz RFXKBFVIIWGPRN-LBPRGKRZSA-N -2 3 378.387 0.736 20 0 GCADHL CCOC(=O)C([N-]S(=O)(=O)c1nc(C)c(C(=O)OCC)s1)=C(C)[O-] ZINC001184975076 1205915044 /nfs/dbraw/zinc/91/50/44/1205915044.db2.gz OXWLAOBPKXHVLZ-SECBINFHSA-N -2 3 378.428 0.427 20 0 GCADHL COc1ccc(S(=O)(=O)Nc2[nH]c(=O)nc3[n-]c(=O)[nH]c32)cc1C(=O)[O-] ZINC001185326328 1205921406 /nfs/dbraw/zinc/92/14/06/1205921406.db2.gz JMAYFWOHTBGNNY-UHFFFAOYSA-N -2 3 381.326 0.272 20 0 GCADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC001185572091 1205924220 /nfs/dbraw/zinc/92/42/20/1205924220.db2.gz AQFWYLODWRZLKS-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001185572091 1205924222 /nfs/dbraw/zinc/92/42/22/1205924222.db2.gz AQFWYLODWRZLKS-UHFFFAOYSA-N -2 3 375.370 0.634 20 0 GCADHL CN(CC(=O)Nc1nc(Cl)c(Cl)nc1Cl)C(N)=NP(=O)([O-])[O-] ZINC001185653347 1205926644 /nfs/dbraw/zinc/92/66/44/1205926644.db2.gz DDQBPZJUGSUBTA-UHFFFAOYSA-N -2 3 391.539 0.924 20 0 GCADHL CCOC(Cc1c(=O)[n-]c(=S)[nH]c1NS(=O)(=O)c1ncc[n-]1)OCC ZINC001190689833 1206043975 /nfs/dbraw/zinc/04/39/75/1206043975.db2.gz CRWJEZJTBYAKHC-UHFFFAOYSA-N -2 3 389.459 0.936 20 0 GCADHL