smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825494273 947205572 /nfs/dbraw/zinc/20/55/72/947205572.db2.gz VCSJFJWYXPGPLN-INIZCTEOSA-N -1 3 398.423 0.928 20 10 GCCDHM COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@](F)(C(=O)[O-])C3)CC2)cc1 ZINC001599585088 993602526 /nfs/dbraw/zinc/60/25/26/993602526.db2.gz JBIMWHKATHFYPN-LPHOPBHVSA-N -1 3 381.448 0.677 20 10 GCCDHM CCS(=O)(=O)N(C)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000299111181 530176762 /nfs/dbraw/zinc/17/67/62/530176762.db2.gz XYAUKZVESQCWQP-UHFFFAOYSA-N -1 3 393.487 0.165 20 10 GCCDHM C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265550050 530185074 /nfs/dbraw/zinc/18/50/74/530185074.db2.gz PSIUEDAQXQCAEM-ZJUUUORDSA-N -1 3 376.456 0.411 20 10 GCCDHM CCS(=O)(=O)[N-]c1ccc(NS(=O)(=O)N2CCOCC2)cc1OC ZINC000268757683 530232188 /nfs/dbraw/zinc/23/21/88/530232188.db2.gz FTKLGJAAFRVGGI-UHFFFAOYSA-N -1 3 379.460 0.446 20 10 GCCDHM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000273244177 530286635 /nfs/dbraw/zinc/28/66/35/530286635.db2.gz ZHGIXPJYTDXGAA-QMMMGPOBSA-N -1 3 398.213 0.870 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(S(C)(=O)=O)CCC2)c1 ZINC000280810037 530354855 /nfs/dbraw/zinc/35/48/55/530354855.db2.gz QGLQEOJBIRCOFE-UHFFFAOYSA-N -1 3 376.456 0.461 20 10 GCCDHM Cc1cc(Br)cc(CN2CCN(C(=O)Cn3cnnn3)CC2)c1[O-] ZINC000289875076 530428578 /nfs/dbraw/zinc/42/85/78/530428578.db2.gz ROKKYKZSCPYUJS-UHFFFAOYSA-N -1 3 395.261 0.794 20 10 GCCDHM COc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737105903 598921658 /nfs/dbraw/zinc/92/16/58/598921658.db2.gz MEBLCFRPALQMEZ-UHFFFAOYSA-N -1 3 382.380 0.627 20 10 GCCDHM COc1ccc(O)c(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737105903 598921659 /nfs/dbraw/zinc/92/16/59/598921659.db2.gz MEBLCFRPALQMEZ-UHFFFAOYSA-N -1 3 382.380 0.627 20 10 GCCDHM COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1-c1nnn[n-]1 ZINC000821787701 599312217 /nfs/dbraw/zinc/31/22/17/599312217.db2.gz YHZDLUFDXXZQEO-BJMVGYQFSA-N -1 3 376.423 0.562 20 10 GCCDHM COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1-c1nn[n-]n1 ZINC000821787701 599312220 /nfs/dbraw/zinc/31/22/20/599312220.db2.gz YHZDLUFDXXZQEO-BJMVGYQFSA-N -1 3 376.423 0.562 20 10 GCCDHM COc1cccc(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1O ZINC000821868851 599673378 /nfs/dbraw/zinc/67/33/78/599673378.db2.gz WLIKQWGERZSVGR-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM COc1cccc(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1O ZINC000821868851 599673379 /nfs/dbraw/zinc/67/33/79/599673379.db2.gz WLIKQWGERZSVGR-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)C1 ZINC000822860280 606260813 /nfs/dbraw/zinc/26/08/13/606260813.db2.gz QMNFSYXLFOLLBV-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)C1 ZINC000822860280 606260815 /nfs/dbraw/zinc/26/08/15/606260815.db2.gz QMNFSYXLFOLLBV-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM O=C(Cn1ccc(-c2nnn[n-]2)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826424401 607891966 /nfs/dbraw/zinc/89/19/66/607891966.db2.gz KZNOEBVXBJWQLU-UHFFFAOYSA-N -1 3 385.403 0.960 20 10 GCCDHM O=C(Cn1ccc(-c2nn[n-]n2)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826424401 607891967 /nfs/dbraw/zinc/89/19/67/607891967.db2.gz KZNOEBVXBJWQLU-UHFFFAOYSA-N -1 3 385.403 0.960 20 10 GCCDHM Cc1cc(C(=O)NCCc2nnnn2C)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260086 608279265 /nfs/dbraw/zinc/27/92/65/608279265.db2.gz VKIMKPOFWHLTSG-UHFFFAOYSA-N -1 3 392.427 0.770 20 10 GCCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000826185511 608360174 /nfs/dbraw/zinc/36/01/74/608360174.db2.gz LVWFNKCAQIXGAO-UHFFFAOYSA-N -1 3 398.379 0.584 20 10 GCCDHM Cc1c(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cccc1-c1nnn[n-]1 ZINC000826240955 608360380 /nfs/dbraw/zinc/36/03/80/608360380.db2.gz MTFXPNBQRXYHCP-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM Cc1c(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cccc1-c1nn[n-]n1 ZINC000826240955 608360382 /nfs/dbraw/zinc/36/03/82/608360382.db2.gz MTFXPNBQRXYHCP-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)C1 ZINC000826390078 609199671 /nfs/dbraw/zinc/19/96/71/609199671.db2.gz PHODHVPWNNABDQ-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)C1 ZINC000826390078 609199673 /nfs/dbraw/zinc/19/96/73/609199673.db2.gz PHODHVPWNNABDQ-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000764427245 640646101 /nfs/dbraw/zinc/64/61/01/640646101.db2.gz YNKCIKLLYTYZIR-LLVKDONJSA-N -1 3 376.456 0.413 20 10 GCCDHM C[C@H]([C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000769855969 640787751 /nfs/dbraw/zinc/78/77/51/640787751.db2.gz SNCZQCZQKQGOAK-VHSXEESVSA-N -1 3 378.472 0.657 20 10 GCCDHM O=C(Cn1cnnn1)N1CCN(Cc2c([O-])cccc2Br)CC1 ZINC000862367112 641194973 /nfs/dbraw/zinc/19/49/73/641194973.db2.gz WNTKJKQSEWGZIK-UHFFFAOYSA-N -1 3 381.234 0.486 20 10 GCCDHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000866832622 641340335 /nfs/dbraw/zinc/34/03/35/641340335.db2.gz DSPPIIYFGLFKTI-UHFFFAOYSA-N -1 3 379.479 0.849 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)c1 ZINC000854810890 642848950 /nfs/dbraw/zinc/84/89/50/642848950.db2.gz FNCCJJQHSJNDGX-CYBMUJFWSA-N -1 3 388.467 0.413 20 10 GCCDHM O=C(NCCCN1CCN(c2ncccn2)CC1)c1c(F)ccc(O)c1[O-] ZINC000276748003 1186015232 /nfs/dbraw/zinc/01/52/32/1186015232.db2.gz VONHBIRUWXCAEX-UHFFFAOYSA-N -1 3 375.404 0.969 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2COC3(CCOCC3)O2)c1 ZINC000271973749 1194427261 /nfs/dbraw/zinc/42/72/61/1194427261.db2.gz KILTYJWZGLXACE-GFCCVEGCSA-N -1 3 386.426 0.416 20 10 GCCDHM CNC(=O)Cc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2[O-])n1 ZINC000749841418 1196048790 /nfs/dbraw/zinc/04/87/90/1196048790.db2.gz YLZDLYPDVKEKCU-UHFFFAOYSA-N -1 3 382.804 0.892 20 10 GCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)CN(CC(F)(F)F)C(=O)CO2 ZINC001271882127 1196691361 /nfs/dbraw/zinc/69/13/61/1196691361.db2.gz HIABYPPHZAYSOL-UHFFFAOYSA-N -1 3 376.287 0.419 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)c1 ZINC000744356195 1201840884 /nfs/dbraw/zinc/84/08/84/1201840884.db2.gz KDVAXDLHAKEZAJ-GFCCVEGCSA-N -1 3 382.442 0.394 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)c1 ZINC000769944765 1202078371 /nfs/dbraw/zinc/07/83/71/1202078371.db2.gz ZLQRLKCGEQGAGC-ZDUSSCGKSA-N -1 3 385.442 0.164 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 ZINC000770131891 1202087254 /nfs/dbraw/zinc/08/72/54/1202087254.db2.gz MZWWODIMFLVVGF-CQSZACIVSA-N -1 3 394.453 0.760 20 10 GCCDHM NS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000790543102 1205467273 /nfs/dbraw/zinc/46/72/73/1205467273.db2.gz QJXGSQKEICGXHC-UHFFFAOYSA-N -1 3 377.422 0.708 20 10 GCCDHM CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790649994 1205469002 /nfs/dbraw/zinc/46/90/02/1205469002.db2.gz DHISMZQKYXBBAZ-UHFFFAOYSA-N -1 3 379.394 0.374 20 10 GCCDHM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000790661209 1205469011 /nfs/dbraw/zinc/46/90/11/1205469011.db2.gz DFWMZCDXMBTMRA-JTQLQIEISA-N -1 3 393.421 0.763 20 10 GCCDHM Cn1nncc1NC(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000810396311 1205636598 /nfs/dbraw/zinc/63/65/98/1205636598.db2.gz KCZDEZKQCSAWTL-CYBMUJFWSA-N -1 3 392.847 0.893 20 10 GCCDHM O=S(=O)(NC[C@@H](O)c1ccc(O)c(O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185557019 1205923975 /nfs/dbraw/zinc/92/39/75/1205923975.db2.gz RAYNJXVORRBMGL-CQSZACIVSA-N -1 3 377.382 0.290 20 10 GCCDHM O=S(=O)(NC[C@@H](O)c1ccc(O)c(O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185557019 1205923977 /nfs/dbraw/zinc/92/39/77/1205923977.db2.gz RAYNJXVORRBMGL-CQSZACIVSA-N -1 3 377.382 0.290 20 10 GCCDHM Cc1cc(C(=O)NN2CC(=O)N(C)C2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826259993 947748976 /nfs/dbraw/zinc/74/89/76/947748976.db2.gz QHEKPGLVTMBFKI-UHFFFAOYSA-N -1 3 394.395 0.813 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)N(C)C)cc1 ZINC001593709025 954171611 /nfs/dbraw/zinc/17/16/11/954171611.db2.gz PLQJAJRMHSZBMT-IRXDYDNUSA-N -1 3 390.484 0.795 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)N(C)C)cc1 ZINC001598313267 991287573 /nfs/dbraw/zinc/28/75/73/991287573.db2.gz HEDJVFIOFWWJNM-IAGOWNOFSA-N -1 3 390.484 0.795 20 10 GCCDHM COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@](F)(C(=O)[O-])C3)CC2)cc1 ZINC001599585087 993602713 /nfs/dbraw/zinc/60/27/13/993602713.db2.gz JBIMWHKATHFYPN-APWZRJJASA-N -1 3 381.448 0.677 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CCNC(=O)C1 ZINC000297782853 530153507 /nfs/dbraw/zinc/15/35/07/530153507.db2.gz JDCDGLJIYWXWIM-UHFFFAOYSA-N -1 3 384.230 0.462 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 ZINC000271348375 530271639 /nfs/dbraw/zinc/27/16/39/530271639.db2.gz HDDUNFRIBHFQNI-GFCCVEGCSA-N -1 3 394.496 0.323 20 10 GCCDHM COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271384195 530271847 /nfs/dbraw/zinc/27/18/47/530271847.db2.gz KUHSXUHZOQCSCC-LLVKDONJSA-N -1 3 388.467 0.884 20 10 GCCDHM COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274193886 530294095 /nfs/dbraw/zinc/29/40/95/530294095.db2.gz GKJGJRGDBPIDMU-VIFPVBQESA-N -1 3 384.332 0.988 20 10 GCCDHM COC(=O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCSCC1 ZINC000271481670 530272523 /nfs/dbraw/zinc/27/25/23/530272523.db2.gz WEZVMUBTHOBNEY-UHFFFAOYSA-N -1 3 388.467 0.932 20 10 GCCDHM O=S1(=O)C[C@H](NCc2cc(Cl)c(F)cc2[O-])[C@@H](N2CCOCC2)C1 ZINC000293536744 530566717 /nfs/dbraw/zinc/56/67/17/530566717.db2.gz FKMQVWXQKHSLNT-KBPBESRZSA-N -1 3 378.853 0.772 20 10 GCCDHM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000820803940 606769152 /nfs/dbraw/zinc/76/91/52/606769152.db2.gz JYJMFWJVQZZQSF-NSHDSACASA-N -1 3 396.411 0.802 20 10 GCCDHM Cc1cc(C(=O)NCCC(=O)NC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176109 606913351 /nfs/dbraw/zinc/91/33/51/606913351.db2.gz GAOMRIONFQEOGI-UHFFFAOYSA-N -1 3 396.411 0.589 20 10 GCCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1(O)CCS(=O)(=O)CC1 ZINC000767426362 640723679 /nfs/dbraw/zinc/72/36/79/640723679.db2.gz PPZGYBRREJXTCB-UHFFFAOYSA-N -1 3 391.873 0.960 20 10 GCCDHM CS(=O)(=O)CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000770098392 640794988 /nfs/dbraw/zinc/79/49/88/640794988.db2.gz SVDKWDLOFPBJRX-UHFFFAOYSA-N -1 3 376.456 0.413 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000843913013 642385875 /nfs/dbraw/zinc/38/58/75/642385875.db2.gz ACDSNEGOHRTGKL-NSHDSACASA-N -1 3 375.397 0.929 20 10 GCCDHM Cn1nccc1N1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000278620359 1186996934 /nfs/dbraw/zinc/99/69/34/1186996934.db2.gz WWSFQVVVRZLWIK-ZDUSSCGKSA-N -1 3 393.469 0.896 20 10 GCCDHM CN(C)S(=O)(=O)N1CCC2(C1)CCN(C(=O)c1cccc(O)c1[O-])CC2 ZINC001271242015 1196285422 /nfs/dbraw/zinc/28/54/22/1196285422.db2.gz NTGHAEYQDHNDAY-UHFFFAOYSA-N -1 3 383.470 0.832 20 10 GCCDHM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000743729617 1201823475 /nfs/dbraw/zinc/82/34/75/1201823475.db2.gz SUKAZPOMJVTWBW-UHFFFAOYSA-N -1 3 394.438 0.835 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)c1 ZINC001169412676 1201947794 /nfs/dbraw/zinc/94/77/94/1201947794.db2.gz AUHZQJMUDPNVHZ-GDBMZVCRSA-N -1 3 386.470 0.796 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000769615930 1202065983 /nfs/dbraw/zinc/06/59/83/1202065983.db2.gz RXLNMEQAFKPHKL-AWEZNQCLSA-N -1 3 383.470 0.701 20 10 GCCDHM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)cn1C ZINC000790892705 1205471792 /nfs/dbraw/zinc/47/17/92/1205471792.db2.gz ZKPPDUQYTWEPQD-UHFFFAOYSA-N -1 3 380.426 0.286 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2Cc3cccnc3NC2=O)c1 ZINC001176670055 1205751678 /nfs/dbraw/zinc/75/16/78/1205751678.db2.gz NJYKMWDLFYEKDF-GFCCVEGCSA-N -1 3 376.394 0.452 20 10 GCCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCOC1 ZINC001181316194 1205842063 /nfs/dbraw/zinc/84/20/63/1205842063.db2.gz WWYDMOLPNLJPAW-MFKMUULPSA-N -1 3 386.426 0.319 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001598313153 991288011 /nfs/dbraw/zinc/28/80/11/991288011.db2.gz DXLLIEUMQMOTSA-IIAWOOMASA-N -1 3 376.457 0.451 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CNC(=O)CNC(C)=O ZINC000266515035 530201585 /nfs/dbraw/zinc/20/15/85/530201585.db2.gz INRYQDJEDSYSPD-UHFFFAOYSA-N -1 3 386.246 0.756 20 10 GCCDHM CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271237354 530269730 /nfs/dbraw/zinc/26/97/30/530269730.db2.gz GVSJOQZKSXZGHK-GFCCVEGCSA-N -1 3 387.483 0.757 20 10 GCCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000291111824 530438936 /nfs/dbraw/zinc/43/89/36/530438936.db2.gz BVXWTIRIDRPOLX-UWVGGRQHSA-N -1 3 376.456 0.411 20 10 GCCDHM O=S1(=O)C[C@@H](NCc2cc(Cl)c(F)cc2[O-])[C@H](N2CCOCC2)C1 ZINC000293536748 530566711 /nfs/dbraw/zinc/56/67/11/530566711.db2.gz FKMQVWXQKHSLNT-ZIAGYGMSSA-N -1 3 378.853 0.772 20 10 GCCDHM CNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736878936 598623253 /nfs/dbraw/zinc/62/32/53/598623253.db2.gz LGTGXUJOQBYRBL-UHFFFAOYSA-N -1 3 397.395 0.887 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)C1 ZINC000826389789 607703185 /nfs/dbraw/zinc/70/31/85/607703185.db2.gz ILPIWMAUVDILKD-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)C1 ZINC000826389789 607703187 /nfs/dbraw/zinc/70/31/87/607703187.db2.gz ILPIWMAUVDILKD-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000740936553 640218762 /nfs/dbraw/zinc/21/87/62/640218762.db2.gz NHTJPEQWKAZHFC-PWSUYJOCSA-N -1 3 390.483 0.849 20 10 GCCDHM CS(=O)(=O)NC[C@@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000877675808 641583978 /nfs/dbraw/zinc/58/39/78/641583978.db2.gz UXOWKXMTNXOQRZ-GFCCVEGCSA-N -1 3 379.276 0.905 20 10 GCCDHM CN1CCN(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3[O-])CC2)CC1 ZINC000091811737 642062726 /nfs/dbraw/zinc/06/27/26/642062726.db2.gz VDTKZMXHQJXCQL-UHFFFAOYSA-N -1 3 388.921 0.655 20 10 GCCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1CC(C)(C)O ZINC000275593949 1184779438 /nfs/dbraw/zinc/77/94/38/1184779438.db2.gz LLEABCXZUNHTQP-LBPRGKRZSA-N -1 3 385.486 0.681 20 10 GCCDHM COC(=O)C1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCOCC1 ZINC000273146744 1194543396 /nfs/dbraw/zinc/54/33/96/1194543396.db2.gz VYXFPOSDFPGSGE-UHFFFAOYSA-N -1 3 386.426 0.463 20 10 GCCDHM O=C(NCC1COC1)[C@H]1CCSC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159467 1196099880 /nfs/dbraw/zinc/09/98/80/1196099880.db2.gz WRULBFRYXSHMDE-CYBMUJFWSA-N -1 3 378.450 0.808 20 10 GCCDHM CN(C)S(=O)(=O)N1CC2(C1)CCCN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001272048175 1197262270 /nfs/dbraw/zinc/26/22/70/1197262270.db2.gz HXLUMFKZSLHISW-UHFFFAOYSA-N -1 3 385.442 0.148 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000768548551 1202023906 /nfs/dbraw/zinc/02/39/06/1202023906.db2.gz ZBWSOKOSJFFHJP-CQSZACIVSA-N -1 3 381.385 0.859 20 10 GCCDHM COCCNS(=O)(=O)c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000790544212 1205467236 /nfs/dbraw/zinc/46/72/36/1205467236.db2.gz SNRRYNSYBXDSSO-UHFFFAOYSA-N -1 3 380.422 0.953 20 10 GCCDHM COC(=O)N1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000804690051 1205520835 /nfs/dbraw/zinc/52/08/35/1205520835.db2.gz XIHURWKABSFQKX-UHFFFAOYSA-N -1 3 385.442 0.972 20 10 GCCDHM O=C(CN1CCS(=O)(=O)CC1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001180597534 1205828081 /nfs/dbraw/zinc/82/80/81/1205828081.db2.gz AKYSYUVKQWADIU-UHFFFAOYSA-N -1 3 383.857 0.940 20 10 GCCDHM N=c1cc(C[NH3+])ccn1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552282 1205923520 /nfs/dbraw/zinc/92/35/20/1205923520.db2.gz DOEJOPAUZXMYQA-QMMMGPOBSA-N -1 3 397.343 0.660 20 10 GCCDHM N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552279 1205923706 /nfs/dbraw/zinc/92/37/06/1205923706.db2.gz DOEJOPAUZXMYQA-MRVPVSSYSA-N -1 3 397.343 0.660 20 10 GCCDHM O=C(CNC(=O)[C@@H]1CCC(=O)N1)NCc1cc(Cl)c2cccnc2c1[O-] ZINC001187523844 1205964679 /nfs/dbraw/zinc/96/46/79/1205964679.db2.gz BCXAAMUBIWOULO-LBPRGKRZSA-N -1 3 376.800 0.605 20 10 GCCDHM Cc1cc(C(=O)N2CCO[C@H](C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235852 598611835 /nfs/dbraw/zinc/61/18/35/598611835.db2.gz ZSCMHMJBIPWPIA-INIZCTEOSA-N -1 3 395.423 0.601 20 10 GCCDHM Cc1ccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)c(O)c1O ZINC000822226417 606343234 /nfs/dbraw/zinc/34/32/34/606343234.db2.gz RGKQIWKDAVOVQG-UHFFFAOYSA-N -1 3 381.396 0.944 20 10 GCCDHM Cc1ccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)c(O)c1O ZINC000822226417 606343236 /nfs/dbraw/zinc/34/32/36/606343236.db2.gz RGKQIWKDAVOVQG-UHFFFAOYSA-N -1 3 381.396 0.944 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1O ZINC000821868300 606401235 /nfs/dbraw/zinc/40/12/35/606401235.db2.gz OWIRTRNXAPOZKK-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1O ZINC000821868300 606401236 /nfs/dbraw/zinc/40/12/36/606401236.db2.gz OWIRTRNXAPOZKK-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM Cc1cc(C(=O)N2CCOC[C@H]2C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258697 608826126 /nfs/dbraw/zinc/82/61/26/608826126.db2.gz STBOTRRWGGDJIG-INIZCTEOSA-N -1 3 395.423 0.601 20 10 GCCDHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769848439 640787728 /nfs/dbraw/zinc/78/77/28/640787728.db2.gz HTBXXRFHTUSESJ-SNVBAGLBSA-N -1 3 378.472 0.659 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)c1 ZINC000770035369 640793656 /nfs/dbraw/zinc/79/36/56/640793656.db2.gz YDNJEXWQIBGVLV-NSHDSACASA-N -1 3 391.471 0.047 20 10 GCCDHM O=S1(=O)C[C@H](NCc2cc(Cl)cc(F)c2[O-])[C@H](N2CCOCC2)C1 ZINC000776174707 641091760 /nfs/dbraw/zinc/09/17/60/641091760.db2.gz AEPMJDOIQJTLSZ-UONOGXRCSA-N -1 3 378.853 0.772 20 10 GCCDHM O=S1(=O)C[C@@H](NCc2c([O-])ccc(Cl)c2F)[C@H](N2CCOCC2)C1 ZINC000790966330 641424242 /nfs/dbraw/zinc/42/42/42/641424242.db2.gz LSFQWHOEIHCNCK-CHWSQXEVSA-N -1 3 378.853 0.772 20 10 GCCDHM CSCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)N(C)C ZINC000813836712 641795096 /nfs/dbraw/zinc/79/50/96/641795096.db2.gz SJKMCFKGTZTEGG-LBPRGKRZSA-N -1 3 389.499 0.703 20 10 GCCDHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000867383566 642433581 /nfs/dbraw/zinc/43/35/81/642433581.db2.gz XZUNLVGMLCGXSA-UHFFFAOYSA-N -1 3 383.442 0.863 20 10 GCCDHM O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1cccc(O)c1[O-] ZINC000279317653 1192522674 /nfs/dbraw/zinc/52/26/74/1192522674.db2.gz OYMFEQPZICKVBV-UHFFFAOYSA-N -1 3 384.454 0.801 20 10 GCCDHM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000274926033 1184430340 /nfs/dbraw/zinc/43/03/40/1184430340.db2.gz YZGBGCLAPCZMEY-UHFFFAOYSA-N -1 3 381.410 0.849 20 10 GCCDHM CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000765965308 1199258942 /nfs/dbraw/zinc/25/89/42/1199258942.db2.gz LAHKCQPQBFOOEQ-INIZCTEOSA-N -1 3 388.442 0.586 20 10 GCCDHM O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1[O-] ZINC000790576623 1205467593 /nfs/dbraw/zinc/46/75/93/1205467593.db2.gz MLJBQPNGMFTNHL-UHFFFAOYSA-N -1 3 381.366 0.714 20 10 GCCDHM CCOC(=O)[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825494274 947205931 /nfs/dbraw/zinc/20/59/31/947205931.db2.gz VCSJFJWYXPGPLN-MRXNPFEDSA-N -1 3 398.423 0.928 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)N(C)C)cc1 ZINC001593709022 954171555 /nfs/dbraw/zinc/17/15/55/954171555.db2.gz PLQJAJRMHSZBMT-DLBZAZTESA-N -1 3 390.484 0.795 20 10 GCCDHM COc1ccc(O)c(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737106130 598923795 /nfs/dbraw/zinc/92/37/95/598923795.db2.gz NUWJJOIEPXTMAH-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM COc1ccc(O)c(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737106130 598923796 /nfs/dbraw/zinc/92/37/96/598923796.db2.gz NUWJJOIEPXTMAH-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM Cc1cc(C(=O)N2CCO[C@@H](C(N)=O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737235859 598612011 /nfs/dbraw/zinc/61/20/11/598612011.db2.gz ZSCMHMJBIPWPIA-MRXNPFEDSA-N -1 3 395.423 0.601 20 10 GCCDHM CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503690 599313646 /nfs/dbraw/zinc/31/36/46/599313646.db2.gz ZTDUMGCTCUTTSS-UHFFFAOYSA-N -1 3 399.436 0.717 20 10 GCCDHM CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503690 599313648 /nfs/dbraw/zinc/31/36/48/599313648.db2.gz ZTDUMGCTCUTTSS-UHFFFAOYSA-N -1 3 399.436 0.717 20 10 GCCDHM COC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O ZINC000826151104 608009359 /nfs/dbraw/zinc/00/93/59/608009359.db2.gz TZTOZJQEKHRZHO-HNNXBMFYSA-N -1 3 383.412 0.504 20 10 GCCDHM COc1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nnn[n-]2)c1O ZINC000826216118 608377668 /nfs/dbraw/zinc/37/76/68/608377668.db2.gz LJXKCVGZPVCHSE-UHFFFAOYSA-N -1 3 376.398 0.840 20 10 GCCDHM COc1cccc(CNc2ccc(S(N)(=O)=O)cc2-c2nn[n-]n2)c1O ZINC000826216118 608377670 /nfs/dbraw/zinc/37/76/70/608377670.db2.gz LJXKCVGZPVCHSE-UHFFFAOYSA-N -1 3 376.398 0.840 20 10 GCCDHM CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1(=O)=O ZINC000773674897 640869894 /nfs/dbraw/zinc/86/98/94/640869894.db2.gz SDDWIEOQWBZOBE-UHFFFAOYSA-N -1 3 390.483 0.803 20 10 GCCDHM CS(=O)(=O)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCC1 ZINC000839905761 641623913 /nfs/dbraw/zinc/62/39/13/641623913.db2.gz ARBCFJNDQUJVPN-UHFFFAOYSA-N -1 3 390.483 0.708 20 10 GCCDHM O=C(Cn1cnnn1)N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000809733975 641711650 /nfs/dbraw/zinc/71/16/50/641711650.db2.gz OTGDOGUVPLVMSN-UHFFFAOYSA-N -1 3 381.234 0.486 20 10 GCCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])CC1CN(S(C)(=O)=O)C1 ZINC000929975335 641966570 /nfs/dbraw/zinc/96/65/70/641966570.db2.gz FQEDDHYFHRPTBQ-UHFFFAOYSA-N -1 3 376.862 0.912 20 10 GCCDHM CC(=O)c1cc(F)cc(CN2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1[O-] ZINC000279392843 1192534284 /nfs/dbraw/zinc/53/42/84/1192534284.db2.gz YXFJQOPRBPQRJM-UHFFFAOYSA-N -1 3 382.417 0.964 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](CO)Cc2cccnc2)c1 ZINC000278623500 1186997818 /nfs/dbraw/zinc/99/78/18/1186997818.db2.gz MQWABSDCWCKZPJ-ZDUSSCGKSA-N -1 3 379.438 0.740 20 10 GCCDHM CN(C)C(=O)CNC(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363881412 1189546538 /nfs/dbraw/zinc/54/65/38/1189546538.db2.gz IUKOTAWYYXDDFD-AWEZNQCLSA-N -1 3 396.875 0.331 20 10 GCCDHM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)c2cccc(O)c2[O-])C3)c1 ZINC001271241807 1196285622 /nfs/dbraw/zinc/28/56/22/1196285622.db2.gz KVVWJHCZGIJVHY-UHFFFAOYSA-N -1 3 378.410 0.121 20 10 GCCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1c1cnccn1 ZINC001648971744 1196487957 /nfs/dbraw/zinc/48/79/57/1196487957.db2.gz DNWYLWWGMJFSFN-GFCCVEGCSA-N -1 3 391.453 0.905 20 10 GCCDHM COC(=O)[C@H](O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000770078040 1202083667 /nfs/dbraw/zinc/08/36/67/1202083667.db2.gz ZKUWTRRGDHSRQS-CQSZACIVSA-N -1 3 386.426 0.150 20 10 GCCDHM O=C(NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1[O-] ZINC000790577880 1205467613 /nfs/dbraw/zinc/46/76/13/1205467613.db2.gz VBRMNXLIWRNPPB-UHFFFAOYSA-N -1 3 381.366 0.714 20 10 GCCDHM Cn1cnc(NC(=O)C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000815599134 1205706924 /nfs/dbraw/zinc/70/69/24/1205706924.db2.gz LUOHEAQHNLUUNV-ZDUSSCGKSA-N -1 3 392.847 0.893 20 10 GCCDHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001185711184 1205928190 /nfs/dbraw/zinc/92/81/90/1205928190.db2.gz KRVCIGLNFSUSEG-CYBMUJFWSA-N -1 3 388.515 0.450 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)N(C)C)cc1 ZINC001593709027 954171393 /nfs/dbraw/zinc/17/13/93/954171393.db2.gz PLQJAJRMHSZBMT-SJORKVTESA-N -1 3 390.484 0.795 20 10 GCCDHM O=S(=O)([C@@H]1CCS(=O)(=O)C1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272295976 530279845 /nfs/dbraw/zinc/27/98/45/530279845.db2.gz OULARXOBZJXANW-CQSZACIVSA-N -1 3 392.474 0.166 20 10 GCCDHM COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1-c1nnn[n-]1 ZINC000821787703 599312140 /nfs/dbraw/zinc/31/21/40/599312140.db2.gz YHZDLUFDXXZQEO-YHYXMXQVSA-N -1 3 376.423 0.562 20 10 GCCDHM COc1ccc(C=C2SC(=S)N(CC(N)=O)C2=O)cc1-c1nn[n-]n1 ZINC000821787703 599312143 /nfs/dbraw/zinc/31/21/43/599312143.db2.gz YHZDLUFDXXZQEO-YHYXMXQVSA-N -1 3 376.423 0.562 20 10 GCCDHM O=C1N=C(N2CCOCC2)SC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738317086 599461892 /nfs/dbraw/zinc/46/18/92/599461892.db2.gz YULVWGJISULWHB-KPKJPENVSA-N -1 3 382.409 0.817 20 10 GCCDHM O=C1N=C(N2CCOCC2)SC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738317086 599461895 /nfs/dbraw/zinc/46/18/95/599461895.db2.gz YULVWGJISULWHB-KPKJPENVSA-N -1 3 382.409 0.817 20 10 GCCDHM COc1cccc(CNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)c1O ZINC000821867320 599669177 /nfs/dbraw/zinc/66/91/77/599669177.db2.gz BQNOEDUPGJCZRM-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM COc1cccc(CNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)c1O ZINC000821867320 599669178 /nfs/dbraw/zinc/66/91/78/599669178.db2.gz BQNOEDUPGJCZRM-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167901 607447943 /nfs/dbraw/zinc/44/79/43/607447943.db2.gz JZNKNICBNSCBDL-HNNXBMFYSA-N -1 3 393.407 0.809 20 10 GCCDHM COC[C@](C)(CC(=O)[O-])NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000831573421 601134946 /nfs/dbraw/zinc/13/49/46/601134946.db2.gz NZXUTBFFBCAXHD-IBGZPJMESA-N -1 3 379.457 0.813 20 10 GCCDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000831573422 601135166 /nfs/dbraw/zinc/13/51/66/601135166.db2.gz NZXUTBFFBCAXHD-LJQANCHMSA-N -1 3 379.457 0.813 20 10 GCCDHM Cc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167773 606688441 /nfs/dbraw/zinc/68/84/41/606688441.db2.gz IPQQOFOHCLUDDU-IYBDPMFKSA-N -1 3 382.424 0.842 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000769763175 640784743 /nfs/dbraw/zinc/78/47/43/640784743.db2.gz UVHBCMTUPBFDIN-GFCCVEGCSA-N -1 3 388.467 0.555 20 10 GCCDHM O=S1(=O)C[C@@H](NCc2cc(Cl)cc(F)c2[O-])[C@H](N2CCOCC2)C1 ZINC000776174710 641091674 /nfs/dbraw/zinc/09/16/74/641091674.db2.gz AEPMJDOIQJTLSZ-ZIAGYGMSSA-N -1 3 378.853 0.772 20 10 GCCDHM O=S1(=O)C[C@H](NCc2c([O-])ccc(Cl)c2F)[C@H](N2CCOCC2)C1 ZINC000790966332 641424428 /nfs/dbraw/zinc/42/44/28/641424428.db2.gz LSFQWHOEIHCNCK-QWHCGFSZSA-N -1 3 378.853 0.772 20 10 GCCDHM CN1C(=S)N=NC1CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000818216462 641905285 /nfs/dbraw/zinc/90/52/85/641905285.db2.gz FEKITOAQAACYTG-UHFFFAOYSA-N -1 3 385.471 0.544 20 10 GCCDHM CN(C)S(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271241432 1196283741 /nfs/dbraw/zinc/28/37/41/1196283741.db2.gz DYARRCUAQDIVIB-QGZVFWFLSA-N -1 3 383.470 0.832 20 10 GCCDHM C[C@@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000769742390 1202070728 /nfs/dbraw/zinc/07/07/28/1202070728.db2.gz HOGDKJDMXVKPID-KRWDZBQOSA-N -1 3 377.422 0.894 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 ZINC000770131890 1202087024 /nfs/dbraw/zinc/08/70/24/1202087024.db2.gz MZWWODIMFLVVGF-AWEZNQCLSA-N -1 3 394.453 0.760 20 10 GCCDHM CON(C)C(=O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000812711824 1205667718 /nfs/dbraw/zinc/66/77/18/1205667718.db2.gz CNQAERYVQSREGH-UHFFFAOYSA-N -1 3 385.442 0.636 20 10 GCCDHM Cn1cnc(NC(=O)C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000815599133 1205706910 /nfs/dbraw/zinc/70/69/10/1205706910.db2.gz LUOHEAQHNLUUNV-CYBMUJFWSA-N -1 3 392.847 0.893 20 10 GCCDHM C[C@@H]1NC(=O)[C@H](CCC(=O)NCc2cc(Cl)c3cccnc3c2[O-])NC1=O ZINC001184092357 1205904979 /nfs/dbraw/zinc/90/49/79/1205904979.db2.gz BNSRWMZYSGIFCA-ZANVPECISA-N -1 3 390.827 0.993 20 10 GCCDHM COCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O ZINC000826154870 947488368 /nfs/dbraw/zinc/48/83/68/947488368.db2.gz ZIRKSYYQHGSTTF-MRXNPFEDSA-N -1 3 397.439 0.894 20 10 GCCDHM COc1c([O-])c(C[N@H+](CCN2CCN(C)CC2)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001599344856 997986165 /nfs/dbraw/zinc/98/61/65/997986165.db2.gz PLHAWVSGNJDECN-UHFFFAOYSA-N -1 3 382.417 0.443 20 10 GCCDHM COc1c([O-])c(C[N@@H+](CCN2CCN(C)CC2)CC(=O)[O-])ccc1[N+](=O)[O-] ZINC001599344856 997986176 /nfs/dbraw/zinc/98/61/76/997986176.db2.gz PLHAWVSGNJDECN-UHFFFAOYSA-N -1 3 382.417 0.443 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CC(=O)N[C@H](C)C1 ZINC000297936068 530154586 /nfs/dbraw/zinc/15/45/86/530154586.db2.gz SMYVWAKJWWSWDQ-SNVBAGLBSA-N -1 3 398.257 0.850 20 10 GCCDHM CC(C)(C)S(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000264943916 530172592 /nfs/dbraw/zinc/17/25/92/530172592.db2.gz AVVRGRVUTFDZCB-UHFFFAOYSA-N -1 3 378.472 0.707 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000269206079 530236395 /nfs/dbraw/zinc/23/63/95/530236395.db2.gz ZVUBCZJJHVQEKA-UHFFFAOYSA-N -1 3 398.213 0.924 20 10 GCCDHM O=S(=O)([C@H]1CCS(=O)(=O)C1)N1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272295972 530279963 /nfs/dbraw/zinc/27/99/63/530279963.db2.gz OULARXOBZJXANW-AWEZNQCLSA-N -1 3 392.474 0.166 20 10 GCCDHM COc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1O ZINC000737130179 598320860 /nfs/dbraw/zinc/32/08/60/598320860.db2.gz DNTZLOPSEIVUPS-UHFFFAOYSA-N -1 3 382.380 0.627 20 10 GCCDHM COc1cccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1O ZINC000737130179 598320862 /nfs/dbraw/zinc/32/08/62/598320862.db2.gz DNTZLOPSEIVUPS-UHFFFAOYSA-N -1 3 382.380 0.627 20 10 GCCDHM Cc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822167907 607448063 /nfs/dbraw/zinc/44/80/63/607448063.db2.gz JZNKNICBNSCBDL-OAHLLOKOSA-N -1 3 393.407 0.809 20 10 GCCDHM C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828442158 601519728 /nfs/dbraw/zinc/51/97/28/601519728.db2.gz XIWOBUSHLVTWHL-HIFRSBDPSA-N -1 3 379.432 0.931 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000821839437 606401293 /nfs/dbraw/zinc/40/12/93/606401293.db2.gz VDFQSKBUGCLTSV-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000821839437 606401294 /nfs/dbraw/zinc/40/12/94/606401294.db2.gz VDFQSKBUGCLTSV-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1ccc(O)c(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000734015051 639992197 /nfs/dbraw/zinc/99/21/97/639992197.db2.gz WSTBYXLCMJDTKX-UHFFFAOYSA-N -1 3 384.186 0.742 20 10 GCCDHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000776174704 641091659 /nfs/dbraw/zinc/09/16/59/641091659.db2.gz AEPMJDOIQJTLSZ-KGLIPLIRSA-N -1 3 378.853 0.772 20 10 GCCDHM O=S1(=O)C[C@H](NCc2cc(Cl)cc(F)c2[O-])[C@@H](N2CCOCC2)C1 ZINC000776174691 641091815 /nfs/dbraw/zinc/09/18/15/641091815.db2.gz AEPMJDOIQJTLSZ-KBPBESRZSA-N -1 3 378.853 0.772 20 10 GCCDHM CS(=O)(=O)NC[C@@H]1COCCN1Cc1c([O-])cccc1Br ZINC000877672845 641584087 /nfs/dbraw/zinc/58/40/87/641584087.db2.gz ACXDQFQSFCGFOM-SNVBAGLBSA-N -1 3 379.276 0.905 20 10 GCCDHM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(Br)cc1[O-] ZINC000824592585 642040412 /nfs/dbraw/zinc/04/04/12/642040412.db2.gz GBPRRRVXBMRFLW-LBPRGKRZSA-N -1 3 391.287 0.890 20 10 GCCDHM COCCNC(=O)Cn1cc(NCc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000278467046 1186954286 /nfs/dbraw/zinc/95/42/86/1186954286.db2.gz GJZFEFYIXRXEEL-UHFFFAOYSA-N -1 3 379.373 0.880 20 10 GCCDHM Cn1nccc1N1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000278620355 1186997103 /nfs/dbraw/zinc/99/71/03/1186997103.db2.gz WWSFQVVVRZLWIK-CYBMUJFWSA-N -1 3 393.469 0.896 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000378151957 1189429877 /nfs/dbraw/zinc/42/98/77/1189429877.db2.gz XVFOQFHLXOCGHO-BBRMVZONSA-N -1 3 378.406 0.988 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1 ZINC000378361972 1189488700 /nfs/dbraw/zinc/48/87/00/1189488700.db2.gz UXTKTLZODODRIO-INIZCTEOSA-N -1 3 389.433 0.989 20 10 GCCDHM COC(=O)CN(CC(=O)N[C@H](C)C(=O)N(C)C)Cc1cc(Cl)ccc1[O-] ZINC000732203310 1201528349 /nfs/dbraw/zinc/52/83/49/1201528349.db2.gz WRTKJILSNBDULK-LLVKDONJSA-N -1 3 385.848 0.614 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732579514 1201549145 /nfs/dbraw/zinc/54/91/45/1201549145.db2.gz IASLUFIECCNOPT-JTQLQIEISA-N -1 3 395.359 0.657 20 10 GCCDHM Cc1nc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)no1 ZINC000736673039 1201716252 /nfs/dbraw/zinc/71/62/52/1201716252.db2.gz DYZOZQXJZGIDCG-UHFFFAOYSA-N -1 3 395.441 0.413 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000769634363 1202064307 /nfs/dbraw/zinc/06/43/07/1202064307.db2.gz OSJSQFGLVMYDJX-HNNXBMFYSA-N -1 3 389.433 0.816 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(CC(N)=O)cc2)c1 ZINC000811587947 1205653718 /nfs/dbraw/zinc/65/37/18/1205653718.db2.gz PRKUUQHYGPRAOW-UHFFFAOYSA-N -1 3 377.422 0.722 20 10 GCCDHM COC(=O)[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCOC1 ZINC001181316192 1205841974 /nfs/dbraw/zinc/84/19/74/1205841974.db2.gz WWYDMOLPNLJPAW-GWCFXTLKSA-N -1 3 386.426 0.319 20 10 GCCDHM C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185558026 1205923815 /nfs/dbraw/zinc/92/38/15/1205923815.db2.gz HKYVKOITZBWKHO-DTWKUNHWSA-N -1 3 388.376 0.648 20 10 GCCDHM C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185558026 1205923816 /nfs/dbraw/zinc/92/38/16/1205923816.db2.gz HKYVKOITZBWKHO-DTWKUNHWSA-N -1 3 388.376 0.648 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)N(C)C)cc1 ZINC001598313265 991288108 /nfs/dbraw/zinc/28/81/08/991288108.db2.gz HEDJVFIOFWWJNM-DLBZAZTESA-N -1 3 390.484 0.795 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001598313155 991288119 /nfs/dbraw/zinc/28/81/19/991288119.db2.gz DXLLIEUMQMOTSA-IJEWVQPXSA-N -1 3 376.457 0.451 20 10 GCCDHM COC(=O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598828194 996407494 /nfs/dbraw/zinc/40/74/94/996407494.db2.gz OZFLOIUOSWMTGM-CABCVRRESA-N -1 3 379.432 0.883 20 10 GCCDHM COC(=O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598828197 996407579 /nfs/dbraw/zinc/40/75/79/996407579.db2.gz OZFLOIUOSWMTGM-LSDHHAIUSA-N -1 3 379.432 0.883 20 10 GCCDHM C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000271290940 530270767 /nfs/dbraw/zinc/27/07/67/530270767.db2.gz PINONATUUHNPCY-SNVBAGLBSA-N -1 3 390.483 0.801 20 10 GCCDHM C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CC1 ZINC000271290936 530270793 /nfs/dbraw/zinc/27/07/93/530270793.db2.gz PINONATUUHNPCY-JTQLQIEISA-N -1 3 390.483 0.801 20 10 GCCDHM COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[O-] ZINC000273776125 530291359 /nfs/dbraw/zinc/29/13/59/530291359.db2.gz RUHBCGVBWGRKJE-UONOGXRCSA-N -1 3 390.889 0.642 20 10 GCCDHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271237355 530269667 /nfs/dbraw/zinc/26/96/67/530269667.db2.gz GVSJOQZKSXZGHK-LBPRGKRZSA-N -1 3 387.483 0.757 20 10 GCCDHM COc1c([O-])c(CNCCS(=O)(=O)N2CCSCC2)ccc1[N+](=O)[O-] ZINC000278953732 530344648 /nfs/dbraw/zinc/34/46/48/530344648.db2.gz ZTBFLNZEFLQKRC-UHFFFAOYSA-N -1 3 391.471 0.777 20 10 GCCDHM CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000288679487 530419952 /nfs/dbraw/zinc/41/99/52/530419952.db2.gz MROVCRUWAKHOMV-ZYHUDNBSSA-N -1 3 390.483 0.801 20 10 GCCDHM CNS(=O)(=O)CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376528473 530816018 /nfs/dbraw/zinc/81/60/18/530816018.db2.gz PSMCVTWWJXCZFM-ZDUSSCGKSA-N -1 3 375.878 0.675 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC)c1 ZINC000737105505 598924606 /nfs/dbraw/zinc/92/46/06/598924606.db2.gz IFZUHLBFIVPIEO-UHFFFAOYSA-N -1 3 398.379 0.844 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000737105505 598924607 /nfs/dbraw/zinc/92/46/07/598924607.db2.gz IFZUHLBFIVPIEO-UHFFFAOYSA-N -1 3 398.379 0.844 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821837783 607339089 /nfs/dbraw/zinc/33/90/89/607339089.db2.gz HNMLGEIFNNNHDZ-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000821837783 607339091 /nfs/dbraw/zinc/33/90/91/607339091.db2.gz HNMLGEIFNNNHDZ-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000821867366 607340183 /nfs/dbraw/zinc/34/01/83/607340183.db2.gz CZFCGKVJUOALNO-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000821867366 607340186 /nfs/dbraw/zinc/34/01/86/607340186.db2.gz CZFCGKVJUOALNO-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC000828442157 601519666 /nfs/dbraw/zinc/51/96/66/601519666.db2.gz XIWOBUSHLVTWHL-DZGCQCFKSA-N -1 3 379.432 0.931 20 10 GCCDHM C[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC000828442159 601519697 /nfs/dbraw/zinc/51/96/97/601519697.db2.gz XIWOBUSHLVTWHL-UKRRQHHQSA-N -1 3 379.432 0.931 20 10 GCCDHM COc1ccc(N2CCN(CCNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2)cc1 ZINC000821832060 606274418 /nfs/dbraw/zinc/27/44/18/606274418.db2.gz YDXQVPXVAPNFAB-UHFFFAOYSA-N -1 3 396.455 0.755 20 10 GCCDHM COc1ccc(N2CCN(CCNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2)cc1 ZINC000821832060 606274419 /nfs/dbraw/zinc/27/44/19/606274419.db2.gz YDXQVPXVAPNFAB-UHFFFAOYSA-N -1 3 396.455 0.755 20 10 GCCDHM COc1ccc(N2CCN(C(=O)Cn3nc(C)c(-c4nnn[n-]4)c3N)CC2)cc1 ZINC000821831548 606654557 /nfs/dbraw/zinc/65/45/57/606654557.db2.gz DLOFXYWSHKINNE-UHFFFAOYSA-N -1 3 397.443 0.311 20 10 GCCDHM COc1ccc(N2CCN(C(=O)Cn3nc(C)c(-c4nn[n-]n4)c3N)CC2)cc1 ZINC000821831548 606654558 /nfs/dbraw/zinc/65/45/58/606654558.db2.gz DLOFXYWSHKINNE-UHFFFAOYSA-N -1 3 397.443 0.311 20 10 GCCDHM CC(C)(C)NS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000919813628 639907467 /nfs/dbraw/zinc/90/74/67/639907467.db2.gz JNXFTVNNFYAAPP-UHFFFAOYSA-N -1 3 393.487 0.211 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000740936554 640218735 /nfs/dbraw/zinc/21/87/35/640218735.db2.gz NHTJPEQWKAZHFC-ZYHUDNBSSA-N -1 3 390.483 0.849 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCCS2(=O)=O)c1 ZINC000752839494 640416372 /nfs/dbraw/zinc/41/63/72/640416372.db2.gz HWFLHFSSOLVMJP-NSHDSACASA-N -1 3 376.456 0.461 20 10 GCCDHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000790966331 641424393 /nfs/dbraw/zinc/42/43/93/641424393.db2.gz LSFQWHOEIHCNCK-OLZOCXBDSA-N -1 3 378.853 0.772 20 10 GCCDHM NS(=O)(=O)C1(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000845834544 642453941 /nfs/dbraw/zinc/45/39/41/642453941.db2.gz UMUJKQXULPPUPE-ZDUSSCGKSA-N -1 3 387.889 0.947 20 10 GCCDHM CN(CCN1CCOC(C)(C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000279062390 1192452080 /nfs/dbraw/zinc/45/20/80/1192452080.db2.gz DJRZQKMFEHZZCR-UHFFFAOYSA-N -1 3 385.486 0.947 20 10 GCCDHM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000275479545 1184683072 /nfs/dbraw/zinc/68/30/72/1184683072.db2.gz TWRHBRHMGZOHNM-GFCCVEGCSA-N -1 3 385.486 0.681 20 10 GCCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1CC(C)(C)O ZINC000275593947 1184779244 /nfs/dbraw/zinc/77/92/44/1184779244.db2.gz LLEABCXZUNHTQP-GFCCVEGCSA-N -1 3 385.486 0.681 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2CN2CCOCC2)c1 ZINC000292517545 1195205847 /nfs/dbraw/zinc/20/58/47/1195205847.db2.gz BNBWMJZAXLIPOQ-AWEZNQCLSA-N -1 3 383.470 0.701 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)c1 ZINC001169412679 1201947732 /nfs/dbraw/zinc/94/77/32/1201947732.db2.gz AUHZQJMUDPNVHZ-ZBFHGGJFSA-N -1 3 386.470 0.796 20 10 GCCDHM CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])no1 ZINC000769749158 1202071303 /nfs/dbraw/zinc/07/13/03/1202071303.db2.gz ONPWJFNIYAUTDK-UHFFFAOYSA-N -1 3 397.457 0.873 20 10 GCCDHM COC(=O)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C1CCOCC1 ZINC000769925992 1202080021 /nfs/dbraw/zinc/08/00/21/1202080021.db2.gz RVPQZRRAVPVENM-UHFFFAOYSA-N -1 3 386.426 0.558 20 10 GCCDHM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cccc(O)c2[O-])CC1 ZINC000790561075 1205467385 /nfs/dbraw/zinc/46/73/85/1205467385.db2.gz RPJRBUTZKXVRPX-UHFFFAOYSA-N -1 3 379.413 0.907 20 10 GCCDHM O=C(CN1CC[C@H](c2nnn[n-]2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001175700447 1205739898 /nfs/dbraw/zinc/73/98/98/1205739898.db2.gz YMQYMGMGJQSNBU-AWEZNQCLSA-N -1 3 389.435 0.281 20 10 GCCDHM O=C(CN1CC[C@H](c2nn[n-]n2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001175700447 1205739900 /nfs/dbraw/zinc/73/99/00/1205739900.db2.gz YMQYMGMGJQSNBU-AWEZNQCLSA-N -1 3 389.435 0.281 20 10 GCCDHM O=C(CN1CC[C@@H](c2nnn[n-]2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001175700450 1205739942 /nfs/dbraw/zinc/73/99/42/1205739942.db2.gz YMQYMGMGJQSNBU-CQSZACIVSA-N -1 3 389.435 0.281 20 10 GCCDHM O=C(CN1CC[C@@H](c2nn[n-]n2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001175700450 1205739945 /nfs/dbraw/zinc/73/99/45/1205739945.db2.gz YMQYMGMGJQSNBU-CQSZACIVSA-N -1 3 389.435 0.281 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2Cc3cccnc3NC2=O)c1 ZINC001176670056 1205751571 /nfs/dbraw/zinc/75/15/71/1205751571.db2.gz NJYKMWDLFYEKDF-LBPRGKRZSA-N -1 3 376.394 0.452 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC001179558744 1205812069 /nfs/dbraw/zinc/81/20/69/1205812069.db2.gz ZFYGZKOOSFQEDO-ZDUSSCGKSA-N -1 3 383.426 0.724 20 10 GCCDHM COC(=O)[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598828195 996407205 /nfs/dbraw/zinc/40/72/05/996407205.db2.gz OZFLOIUOSWMTGM-GJZGRUSLSA-N -1 3 379.432 0.883 20 10 GCCDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001599149478 998269720 /nfs/dbraw/zinc/26/97/20/998269720.db2.gz ZNNLNRFNIGOJHT-LJQANCHMSA-N -1 3 397.447 0.748 20 10 GCCDHM CCN(CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000299068042 530175983 /nfs/dbraw/zinc/17/59/83/530175983.db2.gz DVDALCSJYDDPIL-UHFFFAOYSA-N -1 3 393.487 0.165 20 10 GCCDHM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1[O-] ZINC000091953355 530237512 /nfs/dbraw/zinc/23/75/12/530237512.db2.gz RJDOPNLLDPKWKE-LBPRGKRZSA-N -1 3 391.287 0.890 20 10 GCCDHM CS(=O)(=O)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000267828164 530217394 /nfs/dbraw/zinc/21/73/94/530217394.db2.gz IFHUMHXFXWNLQR-UHFFFAOYSA-N -1 3 376.456 0.318 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1 ZINC000271348379 530271503 /nfs/dbraw/zinc/27/15/03/530271503.db2.gz HDDUNFRIBHFQNI-LBPRGKRZSA-N -1 3 394.496 0.323 20 10 GCCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H](C)CS(C)(=O)=O ZINC000271267447 530270552 /nfs/dbraw/zinc/27/05/52/530270552.db2.gz LRXSNWSTSPWNAO-SNVBAGLBSA-N -1 3 378.472 0.659 20 10 GCCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000291111823 530438961 /nfs/dbraw/zinc/43/89/61/530438961.db2.gz BVXWTIRIDRPOLX-NXEZZACHSA-N -1 3 376.456 0.411 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N(C)CCC(N)=O ZINC000298000387 530476553 /nfs/dbraw/zinc/47/65/53/530476553.db2.gz YDLBQLWBPRIBOX-UHFFFAOYSA-N -1 3 386.246 0.837 20 10 GCCDHM COc1cc(Br)cc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1[O-] ZINC000373175750 530777575 /nfs/dbraw/zinc/77/75/75/530777575.db2.gz IDGOTKPLUMHIMF-NSHDSACASA-N -1 3 384.230 0.306 20 10 GCCDHM Cc1cc(C(=O)NCC(=O)NCCO)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258902 607510275 /nfs/dbraw/zinc/51/02/75/607510275.db2.gz AVOYZHRXXOERDR-UHFFFAOYSA-N -1 3 383.412 0.113 20 10 GCCDHM CN1C(=O)C(=CNc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C(=O)N(C)C1=O ZINC000821619302 606175550 /nfs/dbraw/zinc/17/55/50/606175550.db2.gz QMTITLLFFKCQIA-UHFFFAOYSA-N -1 3 393.367 0.399 20 10 GCCDHM CN1C(=O)C(=CNc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C(=O)N(C)C1=O ZINC000821619302 606175551 /nfs/dbraw/zinc/17/55/51/606175551.db2.gz QMTITLLFFKCQIA-UHFFFAOYSA-N -1 3 393.367 0.399 20 10 GCCDHM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1-c1nnn[n-]1 ZINC000821569382 606971341 /nfs/dbraw/zinc/97/13/41/606971341.db2.gz IOBAQARSXBLXCK-UHFFFAOYSA-N -1 3 385.409 0.327 20 10 GCCDHM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1-c1nn[n-]n1 ZINC000821569382 606971342 /nfs/dbraw/zinc/97/13/42/606971342.db2.gz IOBAQARSXBLXCK-UHFFFAOYSA-N -1 3 385.409 0.327 20 10 GCCDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NCc1ccc(N2CCOCC2)cc1 ZINC000826413403 608220638 /nfs/dbraw/zinc/22/06/38/608220638.db2.gz DBVZAKAOWXRXPC-UHFFFAOYSA-N -1 3 394.439 0.827 20 10 GCCDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NCc1ccc(N2CCOCC2)cc1 ZINC000826413403 608220639 /nfs/dbraw/zinc/22/06/39/608220639.db2.gz DBVZAKAOWXRXPC-UHFFFAOYSA-N -1 3 394.439 0.827 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000769763176 640784667 /nfs/dbraw/zinc/78/46/67/640784667.db2.gz UVHBCMTUPBFDIN-LBPRGKRZSA-N -1 3 388.467 0.555 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)c1 ZINC000770035366 640793340 /nfs/dbraw/zinc/79/33/40/640793340.db2.gz YDNJEXWQIBGVLV-LLVKDONJSA-N -1 3 391.471 0.047 20 10 GCCDHM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c([O-])cccc1Br ZINC000862228262 641190364 /nfs/dbraw/zinc/19/03/64/641190364.db2.gz PAKCFNZJFHUDMQ-JTQLQIEISA-N -1 3 391.287 0.890 20 10 GCCDHM CS(=O)(=O)NC[C@H]1COCCN1Cc1c([O-])cccc1Br ZINC000877672843 641583904 /nfs/dbraw/zinc/58/39/04/641583904.db2.gz ACXDQFQSFCGFOM-JTQLQIEISA-N -1 3 379.276 0.905 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2COC3(CCOCC3)O2)c1 ZINC000271973750 1194427238 /nfs/dbraw/zinc/42/72/38/1194427238.db2.gz KILTYJWZGLXACE-LBPRGKRZSA-N -1 3 386.426 0.416 20 10 GCCDHM COC(=O)CN(CC(=O)N[C@@H](C)C(=O)N(C)C)Cc1cc(Cl)ccc1[O-] ZINC000732203311 1201528675 /nfs/dbraw/zinc/52/86/75/1201528675.db2.gz WRTKJILSNBDULK-NSHDSACASA-N -1 3 385.848 0.614 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)c1 ZINC001169412677 1201947570 /nfs/dbraw/zinc/94/75/70/1201947570.db2.gz AUHZQJMUDPNVHZ-GOEBONIOSA-N -1 3 386.470 0.796 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 ZINC000769741476 1202070892 /nfs/dbraw/zinc/07/08/92/1202070892.db2.gz CGHHGKGHYSUJRI-ZDUSSCGKSA-N -1 3 399.494 0.805 20 10 GCCDHM Cn1cc(C[C@H](CO)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000774268995 1205867926 /nfs/dbraw/zinc/86/79/26/1205867926.db2.gz BULJILNRBGRZNN-LBPRGKRZSA-N -1 3 382.442 0.078 20 10 GCCDHM Cn1cc(C[C@@H](CO)CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cn1 ZINC000774268994 1205868021 /nfs/dbraw/zinc/86/80/21/1205868021.db2.gz BULJILNRBGRZNN-GFCCVEGCSA-N -1 3 382.442 0.078 20 10 GCCDHM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3cn[nH]c3C(N)=O)cc12 ZINC001184357548 1205907844 /nfs/dbraw/zinc/90/78/44/1205907844.db2.gz YMGYBZNAXTYLSE-UHFFFAOYSA-N -1 3 385.380 0.700 20 10 GCCDHM COC(=O)[C@H](Cc1ccc(O)c(O)c1)[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001184996775 1205915897 /nfs/dbraw/zinc/91/58/97/1205915897.db2.gz YEEXYRCASAVJDL-JTQLQIEISA-N -1 3 387.801 0.604 20 10 GCCDHM CCOC(=O)c1cnn(CC(=O)NCc2ccc(N(C)C)cc2)c1-c1nnn[n-]1 ZINC000825565307 947224980 /nfs/dbraw/zinc/22/49/80/947224980.db2.gz QNYLNZWJWUULSG-UHFFFAOYSA-N -1 3 398.427 0.622 20 10 GCCDHM CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)N(C)C)cc1 ZINC001593709023 954171331 /nfs/dbraw/zinc/17/13/31/954171331.db2.gz PLQJAJRMHSZBMT-IAGOWNOFSA-N -1 3 390.484 0.795 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001598313157 991288093 /nfs/dbraw/zinc/28/80/93/991288093.db2.gz DXLLIEUMQMOTSA-LZWOXQAQSA-N -1 3 376.457 0.451 20 10 GCCDHM COC(=O)[C@@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C(=O)[O-] ZINC001598828196 996407347 /nfs/dbraw/zinc/40/73/47/996407347.db2.gz OZFLOIUOSWMTGM-HUUCEWRRSA-N -1 3 379.432 0.883 20 10 GCCDHM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(Br)ccc1[O-] ZINC000091953354 530237528 /nfs/dbraw/zinc/23/75/28/530237528.db2.gz RJDOPNLLDPKWKE-GFCCVEGCSA-N -1 3 391.287 0.890 20 10 GCCDHM CS(=O)(=O)CCOCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277427822 530332249 /nfs/dbraw/zinc/33/22/49/530332249.db2.gz PSQMYPJDKKJDLX-UHFFFAOYSA-N -1 3 390.845 0.871 20 10 GCCDHM CC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@@H](C)S1(=O)=O ZINC000288679475 530420222 /nfs/dbraw/zinc/42/02/22/530420222.db2.gz MROVCRUWAKHOMV-PWSUYJOCSA-N -1 3 390.483 0.801 20 10 GCCDHM CN(C)S(=O)(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000291150359 530439010 /nfs/dbraw/zinc/43/90/10/530439010.db2.gz OYJVIBUMRGWHEN-UHFFFAOYSA-N -1 3 375.834 0.701 20 10 GCCDHM CS(=O)(=O)NCCC1=S=C(C(=O)Nc2nnc(-c3ccco3)[n-]2)C=C1 ZINC000641893595 530800910 /nfs/dbraw/zinc/80/09/10/530800910.db2.gz OREHQCPTMBOGHG-UHFFFAOYSA-N -1 3 381.439 0.590 20 10 GCCDHM CS(=O)(=O)NCCC1=S=C(C(=O)Nc2nc(-c3ccco3)n[n-]2)C=C1 ZINC000641893595 530800913 /nfs/dbraw/zinc/80/09/13/530800913.db2.gz OREHQCPTMBOGHG-UHFFFAOYSA-N -1 3 381.439 0.590 20 10 GCCDHM CS(=O)(=O)NCCC1=S=C(C(=O)Nc2n[n-]c(-c3ccco3)n2)C=C1 ZINC000641893595 530800914 /nfs/dbraw/zinc/80/09/14/530800914.db2.gz OREHQCPTMBOGHG-UHFFFAOYSA-N -1 3 381.439 0.590 20 10 GCCDHM COCCNC(=O)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000737007803 598610341 /nfs/dbraw/zinc/61/03/41/598610341.db2.gz XWTSNPQQJWVRPF-UHFFFAOYSA-N -1 3 397.439 0.767 20 10 GCCDHM O=C1N=C(N2CCOCC2)SC1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738317083 599462048 /nfs/dbraw/zinc/46/20/48/599462048.db2.gz YULVWGJISULWHB-GHXNOFRVSA-N -1 3 382.409 0.817 20 10 GCCDHM O=C1N=C(N2CCOCC2)SC1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738317083 599462051 /nfs/dbraw/zinc/46/20/51/599462051.db2.gz YULVWGJISULWHB-GHXNOFRVSA-N -1 3 382.409 0.817 20 10 GCCDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000737058825 599513717 /nfs/dbraw/zinc/51/37/17/599513717.db2.gz OSSYSYYAOLDZCP-UHFFFAOYSA-N -1 3 398.379 0.844 20 10 GCCDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000737058825 599513719 /nfs/dbraw/zinc/51/37/19/599513719.db2.gz OSSYSYYAOLDZCP-UHFFFAOYSA-N -1 3 398.379 0.844 20 10 GCCDHM Cc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1-c1nnn[n-]1 ZINC000826299225 608360213 /nfs/dbraw/zinc/36/02/13/608360213.db2.gz WGUUUTOYIWPNOL-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM Cc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1-c1nn[n-]n1 ZINC000826299225 608360215 /nfs/dbraw/zinc/36/02/15/608360215.db2.gz WGUUUTOYIWPNOL-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM COc1ccc(N2CCN(CCNc3ccc(-c4nnn[n-]4)nn3)CC2)cc1 ZINC000826209416 608407544 /nfs/dbraw/zinc/40/75/44/608407544.db2.gz AQGPFNQXZDBLHL-UHFFFAOYSA-N -1 3 381.444 0.899 20 10 GCCDHM COc1ccc(N2CCN(CCNc3ccc(-c4nn[n-]n4)nn3)CC2)cc1 ZINC000826209416 608407547 /nfs/dbraw/zinc/40/75/47/608407547.db2.gz AQGPFNQXZDBLHL-UHFFFAOYSA-N -1 3 381.444 0.899 20 10 GCCDHM Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826011041 609302383 /nfs/dbraw/zinc/30/23/83/609302383.db2.gz VENZMSOUHUBZKQ-UHFFFAOYSA-N -1 3 392.379 0.701 20 10 GCCDHM Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826011041 609302384 /nfs/dbraw/zinc/30/23/84/609302384.db2.gz VENZMSOUHUBZKQ-UHFFFAOYSA-N -1 3 392.379 0.701 20 10 GCCDHM COc1cccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1O ZINC000729861696 639200065 /nfs/dbraw/zinc/20/00/65/639200065.db2.gz VRRHKXDXNNJSOZ-UHFFFAOYSA-N -1 3 384.186 0.742 20 10 GCCDHM CCC1N=NC(=S)N1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743666160 640258337 /nfs/dbraw/zinc/25/83/37/640258337.db2.gz KEMFASDTKSQSLR-UHFFFAOYSA-N -1 3 385.471 0.636 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCCS2(=O)=O)c1 ZINC000752839489 640416387 /nfs/dbraw/zinc/41/63/87/640416387.db2.gz HWFLHFSSOLVMJP-LLVKDONJSA-N -1 3 376.456 0.461 20 10 GCCDHM O=S1(=O)C[C@H](NCc2c([O-])ccc(Cl)c2F)[C@@H](N2CCOCC2)C1 ZINC000790966333 641424332 /nfs/dbraw/zinc/42/43/32/641424332.db2.gz LSFQWHOEIHCNCK-STQMWFEESA-N -1 3 378.853 0.772 20 10 GCCDHM CC(=O)c1cc(F)cc(CN2CCS(=O)(=NS(C)(=O)=O)CC2)c1[O-] ZINC000821300002 641984885 /nfs/dbraw/zinc/98/48/85/641984885.db2.gz PAGCIIHKPOQPIW-UHFFFAOYSA-N -1 3 378.447 0.977 20 10 GCCDHM Cc1cc(N(C)C)ccc1CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000115489958 642071685 /nfs/dbraw/zinc/07/16/85/642071685.db2.gz HNNKDUCWJLSYFW-UHFFFAOYSA-N -1 3 395.257 0.990 20 10 GCCDHM C[C@@H]1CN(CCN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)O1 ZINC000279280247 1192499335 /nfs/dbraw/zinc/49/93/35/1192499335.db2.gz KJQQHBDXRMIOED-BETUJISGSA-N -1 3 385.486 0.945 20 10 GCCDHM CC(=O)c1cc(F)cc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1[O-] ZINC000276363019 1185766546 /nfs/dbraw/zinc/76/65/46/1185766546.db2.gz GAJKXHBDDDGYJV-UHFFFAOYSA-N -1 3 391.403 0.196 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000378151959 1189429833 /nfs/dbraw/zinc/42/98/33/1189429833.db2.gz XVFOQFHLXOCGHO-CJNGLKHVSA-N -1 3 378.406 0.988 20 10 GCCDHM CN(C)C(=O)CNC(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000363881413 1189546265 /nfs/dbraw/zinc/54/62/65/1189546265.db2.gz IUKOTAWYYXDDFD-CQSZACIVSA-N -1 3 396.875 0.331 20 10 GCCDHM CCNc1nc2nnc(SCC(=O)Nc3nnc(OC)[n-]3)n2c(NCC)n1 ZINC000272518012 1194468829 /nfs/dbraw/zinc/46/88/29/1194468829.db2.gz POSNLJQJUZCMFZ-UHFFFAOYSA-N -1 3 393.437 0.240 20 10 GCCDHM CCNc1nc2nnc(SCC(=O)Nc3n[n-]c(OC)n3)n2c(NCC)n1 ZINC000272518012 1194468832 /nfs/dbraw/zinc/46/88/32/1194468832.db2.gz POSNLJQJUZCMFZ-UHFFFAOYSA-N -1 3 393.437 0.240 20 10 GCCDHM CCNc1nc2nnc(SCC(=O)Nc3nc(OC)n[n-]3)n2c(NCC)n1 ZINC000272518012 1194468835 /nfs/dbraw/zinc/46/88/35/1194468835.db2.gz POSNLJQJUZCMFZ-UHFFFAOYSA-N -1 3 393.437 0.240 20 10 GCCDHM O=C(NCC(F)(F)F)N1CC2(C1)CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001272048217 1197262425 /nfs/dbraw/zinc/26/24/25/1197262425.db2.gz IJXYKQHCZFTWQK-UHFFFAOYSA-N -1 3 375.303 0.833 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000732300845 1201531688 /nfs/dbraw/zinc/53/16/88/1201531688.db2.gz URBURZRNVZXWPO-ZDUSSCGKSA-N -1 3 381.454 0.991 20 10 GCCDHM COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770025568 1202082287 /nfs/dbraw/zinc/08/22/87/1202082287.db2.gz RTKABNJYFLCWAI-CYBMUJFWSA-N -1 3 388.442 0.802 20 10 GCCDHM COC(=O)[C@@H](O)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000770078037 1202083671 /nfs/dbraw/zinc/08/36/71/1202083671.db2.gz ZKUWTRRGDHSRQS-AWEZNQCLSA-N -1 3 386.426 0.150 20 10 GCCDHM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@H](C)O1 ZINC000790528688 1205467074 /nfs/dbraw/zinc/46/70/74/1205467074.db2.gz UIQJQSFDKNIQND-BETUJISGSA-N -1 3 399.469 0.210 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC001179558743 1205812110 /nfs/dbraw/zinc/81/21/10/1205812110.db2.gz ZFYGZKOOSFQEDO-CYBMUJFWSA-N -1 3 383.426 0.724 20 10 GCCDHM N=c1cc(C[NH3+])ncn1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553341 1205924097 /nfs/dbraw/zinc/92/40/97/1205924097.db2.gz PIGQCDBCWRIHOZ-ZETCQYMHSA-N -1 3 398.331 0.055 20 10 GCCDHM COCC[C@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O ZINC000826154869 947488056 /nfs/dbraw/zinc/48/80/56/947488056.db2.gz ZIRKSYYQHGSTTF-INIZCTEOSA-N -1 3 397.439 0.894 20 10 GCCDHM COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[O-] ZINC000273776122 530291300 /nfs/dbraw/zinc/29/13/00/530291300.db2.gz RUHBCGVBWGRKJE-KGLIPLIRSA-N -1 3 390.889 0.642 20 10 GCCDHM COc1cc(Br)cc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1[O-] ZINC000373175743 530777811 /nfs/dbraw/zinc/77/78/11/530777811.db2.gz IDGOTKPLUMHIMF-LLVKDONJSA-N -1 3 384.230 0.306 20 10 GCCDHM Cc1cc(C(=O)NCCOCC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822176894 607324741 /nfs/dbraw/zinc/32/47/41/607324741.db2.gz PXGUSMLDXJWTKU-UHFFFAOYSA-N -1 3 383.412 0.506 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1O ZINC000737131968 599513858 /nfs/dbraw/zinc/51/38/58/599513858.db2.gz SOOYAPAAMRMRLY-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1O ZINC000737131968 599513860 /nfs/dbraw/zinc/51/38/60/599513860.db2.gz SOOYAPAAMRMRLY-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cc(-c3nnn[n-]3)c[nH]1)cc2=O ZINC000821343280 606232676 /nfs/dbraw/zinc/23/26/76/606232676.db2.gz NBSYBMPRRMRLEK-UHFFFAOYSA-N -1 3 398.339 0.477 20 10 GCCDHM CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1cc(-c3nn[n-]n3)c[nH]1)cc2=O ZINC000821343280 606232678 /nfs/dbraw/zinc/23/26/78/606232678.db2.gz NBSYBMPRRMRLEK-UHFFFAOYSA-N -1 3 398.339 0.477 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)C1 ZINC000822860279 606260723 /nfs/dbraw/zinc/26/07/23/606260723.db2.gz QMNFSYXLFOLLBV-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)C1 ZINC000822860279 606260725 /nfs/dbraw/zinc/26/07/25/606260725.db2.gz QMNFSYXLFOLLBV-CYBMUJFWSA-N -1 3 394.439 0.827 20 10 GCCDHM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826397312 607945738 /nfs/dbraw/zinc/94/57/38/607945738.db2.gz AOXGDVOZLRQRFH-UHFFFAOYSA-N -1 3 397.420 0.253 20 10 GCCDHM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826397312 607945739 /nfs/dbraw/zinc/94/57/39/607945739.db2.gz AOXGDVOZLRQRFH-UHFFFAOYSA-N -1 3 397.420 0.253 20 10 GCCDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NCCc1ccc(O)c(O)c1 ZINC000826411748 608078813 /nfs/dbraw/zinc/07/88/13/608078813.db2.gz LGLKIQCHFOIJQK-UHFFFAOYSA-N -1 3 382.380 0.367 20 10 GCCDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NCCc1ccc(O)c(O)c1 ZINC000826411748 608078814 /nfs/dbraw/zinc/07/88/14/608078814.db2.gz LGLKIQCHFOIJQK-UHFFFAOYSA-N -1 3 382.380 0.367 20 10 GCCDHM Cc1cc(C(=O)N2CCOC[C@@H]2C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826258698 608826282 /nfs/dbraw/zinc/82/62/82/608826282.db2.gz STBOTRRWGGDJIG-MRXNPFEDSA-N -1 3 395.423 0.601 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)C1 ZINC000826390079 609199546 /nfs/dbraw/zinc/19/95/46/609199546.db2.gz PHODHVPWNNABDQ-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)C1 ZINC000826390079 609199548 /nfs/dbraw/zinc/19/95/48/609199548.db2.gz PHODHVPWNNABDQ-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC(=O)N(CC(F)(F)F)C2)c1 ZINC000754472436 640455296 /nfs/dbraw/zinc/45/52/96/640455296.db2.gz PNSRFEXBFTXZAB-UHFFFAOYSA-N -1 3 381.332 0.568 20 10 GCCDHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000866833350 641341191 /nfs/dbraw/zinc/34/11/91/641341191.db2.gz ABTLNKBMSGUWRD-UHFFFAOYSA-N -1 3 375.516 0.957 20 10 GCCDHM CN(C)S(=O)(=O)N1CC(NCc2cc(Br)cc(F)c2[O-])C1 ZINC000883191045 641750026 /nfs/dbraw/zinc/75/00/26/641750026.db2.gz RDEKXTWQIBNGRT-UHFFFAOYSA-N -1 3 382.255 0.874 20 10 GCCDHM CNC(=O)[C@H](CCSC)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000813832904 641794160 /nfs/dbraw/zinc/79/41/60/641794160.db2.gz FDCXOSRCFMEOHC-NSHDSACASA-N -1 3 375.472 0.361 20 10 GCCDHM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(Br)cc1[O-] ZINC000824592584 642040521 /nfs/dbraw/zinc/04/05/21/642040521.db2.gz GBPRRRVXBMRFLW-GFCCVEGCSA-N -1 3 391.287 0.890 20 10 GCCDHM CC(C)(CCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])S(C)(=O)=O ZINC000857540376 642943242 /nfs/dbraw/zinc/94/32/42/642943242.db2.gz FUEDMDPNIXTVLO-UHFFFAOYSA-N -1 3 378.472 0.707 20 10 GCCDHM CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271241431 1196283828 /nfs/dbraw/zinc/28/38/28/1196283828.db2.gz DYARRCUAQDIVIB-KRWDZBQOSA-N -1 3 383.470 0.832 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2nnnn2-c2ccccc2)c1 ZINC000730591498 1201456405 /nfs/dbraw/zinc/45/64/05/1201456405.db2.gz JOQSNBKXDLCGOS-UHFFFAOYSA-N -1 3 388.409 0.669 20 10 GCCDHM COCCC(=O)N1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000768352444 1202012608 /nfs/dbraw/zinc/01/26/08/1202012608.db2.gz QDSSLCGDQUUPSO-UHFFFAOYSA-N -1 3 399.469 0.521 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC000768548549 1202024058 /nfs/dbraw/zinc/02/40/58/1202024058.db2.gz ZBWSOKOSJFFHJP-AWEZNQCLSA-N -1 3 381.385 0.859 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000769615933 1202066057 /nfs/dbraw/zinc/06/60/57/1202066057.db2.gz RXLNMEQAFKPHKL-CQSZACIVSA-N -1 3 383.470 0.701 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)c1 ZINC000769731557 1202068583 /nfs/dbraw/zinc/06/85/83/1202068583.db2.gz BEGRVRIURZMKEX-AWEZNQCLSA-N -1 3 377.422 0.590 20 10 GCCDHM O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21)N1CCN2CC[C@@H]2C1 ZINC001185550823 1205923556 /nfs/dbraw/zinc/92/35/56/1205923556.db2.gz YWFKMTSBBGRSEU-RKDXNWHRSA-N -1 3 386.360 0.496 20 10 GCCDHM O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21)N1CCN2CC[C@H]2C1 ZINC001185550822 1205923711 /nfs/dbraw/zinc/92/37/11/1205923711.db2.gz YWFKMTSBBGRSEU-IUCAKERBSA-N -1 3 386.360 0.496 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2=O)N(C)C)cc1 ZINC001598313270 991288050 /nfs/dbraw/zinc/28/80/50/991288050.db2.gz HEDJVFIOFWWJNM-SJORKVTESA-N -1 3 390.484 0.795 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC[NH+]2CCC(C(=O)[O-])CC2)c1 ZINC001599760448 992114027 /nfs/dbraw/zinc/11/40/27/992114027.db2.gz FGPYVKSKDIPEMF-UHFFFAOYSA-N -1 3 399.469 0.680 20 10 GCCDHM COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274193883 530294016 /nfs/dbraw/zinc/29/40/16/530294016.db2.gz GKJGJRGDBPIDMU-SECBINFHSA-N -1 3 384.332 0.988 20 10 GCCDHM CC(C)(CCS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271393685 530271900 /nfs/dbraw/zinc/27/19/00/530271900.db2.gz MJLLRTLKADCOCJ-UHFFFAOYSA-N -1 3 378.472 0.707 20 10 GCCDHM CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271515785 530272923 /nfs/dbraw/zinc/27/29/23/530272923.db2.gz WFGCCFIFJRRUDU-UHFFFAOYSA-N -1 3 378.472 0.659 20 10 GCCDHM COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1[O-] ZINC000273776119 530291056 /nfs/dbraw/zinc/29/10/56/530291056.db2.gz RUHBCGVBWGRKJE-KBPBESRZSA-N -1 3 390.889 0.642 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2(S(C)(=O)=O)CCCC2)c1 ZINC000286521466 530401786 /nfs/dbraw/zinc/40/17/86/530401786.db2.gz ROLKXCSWIKEDTJ-UHFFFAOYSA-N -1 3 390.483 0.851 20 10 GCCDHM O=S1(=O)C[C@H](N2CCOCC2)[C@H](NCc2cc(Cl)c(F)cc2[O-])C1 ZINC000293536745 530566595 /nfs/dbraw/zinc/56/65/95/530566595.db2.gz FKMQVWXQKHSLNT-KGLIPLIRSA-N -1 3 378.853 0.772 20 10 GCCDHM COc1ccc(O)c(CNC(=O)NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC000737107014 598923354 /nfs/dbraw/zinc/92/33/54/598923354.db2.gz YHECPCVNKPNNNF-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM COc1ccc(O)c(CNC(=O)NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC000737107014 598923355 /nfs/dbraw/zinc/92/33/55/598923355.db2.gz YHECPCVNKPNNNF-UHFFFAOYSA-N -1 3 384.400 0.887 20 10 GCCDHM Cc1cc(C(=O)NCCn2ncnn2)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000822177292 607357631 /nfs/dbraw/zinc/35/76/31/607357631.db2.gz XDAHJQVJJRZWKD-UHFFFAOYSA-N -1 3 378.400 0.691 20 10 GCCDHM Cc1cc(C(=O)OCC(=O)NC(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737242969 598621651 /nfs/dbraw/zinc/62/16/51/598621651.db2.gz QQLALJMPNHWPAM-UHFFFAOYSA-N -1 3 383.368 0.626 20 10 GCCDHM C[C@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828442160 601519742 /nfs/dbraw/zinc/51/97/42/601519742.db2.gz XIWOBUSHLVTWHL-ZFWWWQNUSA-N -1 3 379.432 0.931 20 10 GCCDHM O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826439325 608360117 /nfs/dbraw/zinc/36/01/17/608360117.db2.gz PGAOTHLTAHFJNP-UHFFFAOYSA-N -1 3 386.343 0.714 20 10 GCCDHM O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826439325 608360119 /nfs/dbraw/zinc/36/01/19/608360119.db2.gz PGAOTHLTAHFJNP-UHFFFAOYSA-N -1 3 386.343 0.714 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000740936551 640218696 /nfs/dbraw/zinc/21/86/96/640218696.db2.gz NHTJPEQWKAZHFC-CMPLNLGQSA-N -1 3 390.483 0.849 20 10 GCCDHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769848436 640787219 /nfs/dbraw/zinc/78/72/19/640787219.db2.gz HTBXXRFHTUSESJ-JTQLQIEISA-N -1 3 378.472 0.659 20 10 GCCDHM C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769855967 640787966 /nfs/dbraw/zinc/78/79/66/640787966.db2.gz SNCZQCZQKQGOAK-NXEZZACHSA-N -1 3 378.472 0.657 20 10 GCCDHM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c([O-])cccc1Br ZINC000862228263 641190519 /nfs/dbraw/zinc/19/05/19/641190519.db2.gz PAKCFNZJFHUDMQ-SNVBAGLBSA-N -1 3 391.287 0.890 20 10 GCCDHM COC(CN(CCCO)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OC ZINC000787279836 641347348 /nfs/dbraw/zinc/34/73/48/641347348.db2.gz PNYPVSOSYBXASC-UHFFFAOYSA-N -1 3 376.431 0.207 20 10 GCCDHM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000275479547 1184683547 /nfs/dbraw/zinc/68/35/47/1184683547.db2.gz TWRHBRHMGZOHNM-LBPRGKRZSA-N -1 3 385.486 0.681 20 10 GCCDHM COCCOCCOCCN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000276239539 1185705785 /nfs/dbraw/zinc/70/57/85/1185705785.db2.gz PFFXNIMQCIQGIG-UHFFFAOYSA-N -1 3 390.458 0.515 20 10 GCCDHM Cn1ccnc1N1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000377562727 1188074536 /nfs/dbraw/zinc/07/45/36/1188074536.db2.gz GGGATLHEUIGRJB-UHFFFAOYSA-N -1 3 393.469 0.896 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCN(c3ncc(F)cn3)CC2)c1 ZINC000760126344 1196751644 /nfs/dbraw/zinc/75/16/44/1196751644.db2.gz LZZJATWJNXBXPO-UHFFFAOYSA-N -1 3 395.416 0.655 20 10 GCCDHM Cc1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)nn1 ZINC001212455764 1199235667 /nfs/dbraw/zinc/23/56/67/1199235667.db2.gz CAFRLOQKSRVEJM-UHFFFAOYSA-N -1 3 396.494 0.498 20 10 GCCDHM CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000765965311 1199259438 /nfs/dbraw/zinc/25/94/38/1199259438.db2.gz LAHKCQPQBFOOEQ-MRXNPFEDSA-N -1 3 388.442 0.586 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000732579516 1201549703 /nfs/dbraw/zinc/54/97/03/1201549703.db2.gz IASLUFIECCNOPT-SNVBAGLBSA-N -1 3 395.359 0.657 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2)C1 ZINC000746146283 1201901434 /nfs/dbraw/zinc/90/14/34/1201901434.db2.gz CENNWZZJAKFCMY-NSHDSACASA-N -1 3 386.412 0.102 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)c1 ZINC001169412678 1201947805 /nfs/dbraw/zinc/94/78/05/1201947805.db2.gz AUHZQJMUDPNVHZ-HOCLYGCPSA-N -1 3 386.470 0.796 20 10 GCCDHM COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770025569 1202082509 /nfs/dbraw/zinc/08/25/09/1202082509.db2.gz RTKABNJYFLCWAI-ZDUSSCGKSA-N -1 3 388.442 0.802 20 10 GCCDHM CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000774271457 1205868142 /nfs/dbraw/zinc/86/81/42/1205868142.db2.gz DGEQWMHXZROSCA-UHFFFAOYSA-N -1 3 382.398 0.872 20 10 GCCDHM O=C([C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21)N1CCN2CC[C@@H]2C1 ZINC001185550820 1205923476 /nfs/dbraw/zinc/92/34/76/1205923476.db2.gz YWFKMTSBBGRSEU-BDAKNGLRSA-N -1 3 386.360 0.496 20 10 GCCDHM N=c1cc(C[NH3+])ncn1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553340 1205923922 /nfs/dbraw/zinc/92/39/22/1205923922.db2.gz PIGQCDBCWRIHOZ-SSDOTTSWSA-N -1 3 398.331 0.055 20 10 GCCDHM C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185558027 1205924028 /nfs/dbraw/zinc/92/40/28/1205924028.db2.gz HKYVKOITZBWKHO-IUCAKERBSA-N -1 3 388.376 0.648 20 10 GCCDHM C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185558027 1205924030 /nfs/dbraw/zinc/92/40/30/1205924030.db2.gz HKYVKOITZBWKHO-IUCAKERBSA-N -1 3 388.376 0.648 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)N(C)C)cc1 ZINC001598313151 991288001 /nfs/dbraw/zinc/28/80/01/991288001.db2.gz DXLLIEUMQMOTSA-DZKIICNBSA-N -1 3 376.457 0.451 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)N1CC(=O)N[C@@H](C)C1 ZINC000297936064 530155013 /nfs/dbraw/zinc/15/50/13/530155013.db2.gz SMYVWAKJWWSWDQ-JTQLQIEISA-N -1 3 398.257 0.850 20 10 GCCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CN(C)S(C)(=O)=O ZINC000272298413 530279834 /nfs/dbraw/zinc/27/98/34/530279834.db2.gz WGTDNIDUVHUFTB-UHFFFAOYSA-N -1 3 378.834 0.439 20 10 GCCDHM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H](C)CS(C)(=O)=O ZINC000271267446 530270515 /nfs/dbraw/zinc/27/05/15/530270515.db2.gz LRXSNWSTSPWNAO-JTQLQIEISA-N -1 3 378.472 0.659 20 10 GCCDHM CS(=O)(=O)CCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274935448 530302381 /nfs/dbraw/zinc/30/23/81/530302381.db2.gz PMHOFDYNMWWLIX-UHFFFAOYSA-N -1 3 378.472 0.708 20 10 GCCDHM CNS(=O)(=O)CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000376528470 530816357 /nfs/dbraw/zinc/81/63/57/530816357.db2.gz PSMCVTWWJXCZFM-CYBMUJFWSA-N -1 3 375.878 0.675 20 10 GCCDHM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(-c2nnn[n-]2)cc1 ZINC000736731856 599310420 /nfs/dbraw/zinc/31/04/20/599310420.db2.gz KJFSBDWRBAKAOV-UHFFFAOYSA-N -1 3 385.409 0.327 20 10 GCCDHM CN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(-c2nn[n-]n2)cc1 ZINC000736731856 599310423 /nfs/dbraw/zinc/31/04/23/599310423.db2.gz KJFSBDWRBAKAOV-UHFFFAOYSA-N -1 3 385.409 0.327 20 10 GCCDHM O=S1(=O)CCN(c2ccc(CNCc3ccc(-c4nnn[n-]4)o3)cc2)CC1 ZINC000823614371 599438224 /nfs/dbraw/zinc/43/82/24/599438224.db2.gz PGROIQLVBAOYFW-UHFFFAOYSA-N -1 3 388.453 0.984 20 10 GCCDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000822903346 607191918 /nfs/dbraw/zinc/19/19/18/607191918.db2.gz JCGJNUGDUHYRGH-UHFFFAOYSA-N -1 3 392.379 0.976 20 10 GCCDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000822903346 607191919 /nfs/dbraw/zinc/19/19/19/607191919.db2.gz JCGJNUGDUHYRGH-UHFFFAOYSA-N -1 3 392.379 0.976 20 10 GCCDHM Cn1ncc2c1nc(NNC(=S)Nc1ccccc1-c1nnn[n-]1)[nH]c2=O ZINC000822709964 607252262 /nfs/dbraw/zinc/25/22/62/607252262.db2.gz SOHVAKIMZNACIW-UHFFFAOYSA-N -1 3 383.401 0.563 20 10 GCCDHM Cn1ncc2c1nc(NNC(=S)Nc1ccccc1-c1nn[n-]n1)[nH]c2=O ZINC000822709964 607252263 /nfs/dbraw/zinc/25/22/63/607252263.db2.gz SOHVAKIMZNACIW-UHFFFAOYSA-N -1 3 383.401 0.563 20 10 GCCDHM COc1ccc(N2CCN(CCNC(=O)c3c[nH]c(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826209625 609204674 /nfs/dbraw/zinc/20/46/74/609204674.db2.gz JSHXXXXOHOIOBE-UHFFFAOYSA-N -1 3 396.455 0.755 20 10 GCCDHM CN1CCN(S(=O)(=O)N2CCN(Cc3c([O-])cccc3Cl)CC2)CC1 ZINC000131285639 640002260 /nfs/dbraw/zinc/00/22/60/640002260.db2.gz GAXOMQOYIMEDQI-UHFFFAOYSA-N -1 3 388.921 0.655 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000764427249 640646247 /nfs/dbraw/zinc/64/62/47/640646247.db2.gz YNKCIKLLYTYZIR-NSHDSACASA-N -1 3 376.456 0.413 20 10 GCCDHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769855970 640787775 /nfs/dbraw/zinc/78/77/75/640787775.db2.gz SNCZQCZQKQGOAK-ZJUUUORDSA-N -1 3 378.472 0.657 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1 ZINC000854810891 642848834 /nfs/dbraw/zinc/84/88/34/642848834.db2.gz FNCCJJQHSJNDGX-ZDUSSCGKSA-N -1 3 388.467 0.413 20 10 GCCDHM COCCOCCOCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000274597665 1184113977 /nfs/dbraw/zinc/11/39/77/1184113977.db2.gz WIMQNVKCZFLHOU-UHFFFAOYSA-N -1 3 390.458 0.563 20 10 GCCDHM CCOC(COCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])OCC ZINC000278775033 1187086824 /nfs/dbraw/zinc/08/68/24/1187086824.db2.gz YKQGFHJIWAGCLT-UHFFFAOYSA-N -1 3 390.458 0.909 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2COc3ccccc3[C@H]2O)c1 ZINC000378151961 1189429847 /nfs/dbraw/zinc/42/98/47/1189429847.db2.gz XVFOQFHLXOCGHO-XJKSGUPXSA-N -1 3 378.406 0.988 20 10 GCCDHM O=C(NCC1COC1)[C@@H]1CCSC12CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271159469 1196099857 /nfs/dbraw/zinc/09/98/57/1196099857.db2.gz WRULBFRYXSHMDE-ZDUSSCGKSA-N -1 3 378.450 0.808 20 10 GCCDHM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)c2cccc(O)c2[O-])c1 ZINC001271242573 1196285351 /nfs/dbraw/zinc/28/53/51/1196285351.db2.gz XHOSJMGDHUCZQZ-PHIMTYICSA-N -1 3 378.410 0.119 20 10 GCCDHM C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1c1cnccn1 ZINC001648971745 1196488363 /nfs/dbraw/zinc/48/83/63/1196488363.db2.gz DNWYLWWGMJFSFN-LBPRGKRZSA-N -1 3 391.453 0.905 20 10 GCCDHM O=C(NCC(F)(F)F)N1CCC12CN(C(=O)c1cc(O)c([O-])c(O)c1)C2 ZINC001272048480 1197262909 /nfs/dbraw/zinc/26/29/09/1197262909.db2.gz JRZAPXPEMCTTEW-UHFFFAOYSA-N -1 3 375.303 0.976 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@H](CN3CCOCC3)C2)c1 ZINC000743704804 1201822439 /nfs/dbraw/zinc/82/24/39/1201822439.db2.gz NSGLAGVEXZRMCJ-CYBMUJFWSA-N -1 3 383.470 0.558 20 10 GCCDHM NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3[nH]c(=O)[n-]c(=O)c3N)cc2)C1 ZINC000746146282 1201901702 /nfs/dbraw/zinc/90/17/02/1201901702.db2.gz CENNWZZJAKFCMY-LLVKDONJSA-N -1 3 386.412 0.102 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC(N)=O)Cc2ccccc2)c1 ZINC000769825469 1202074482 /nfs/dbraw/zinc/07/44/82/1202074482.db2.gz LPMZTPURVLQAER-UHFFFAOYSA-N -1 3 377.422 0.891 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC(N)=O)C2CCOCC2)c1 ZINC000769944764 1202078261 /nfs/dbraw/zinc/07/82/61/1202078261.db2.gz ZLQRLKCGEQGAGC-CYBMUJFWSA-N -1 3 385.442 0.164 20 10 GCCDHM COC(=O)c1ccc(CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1 ZINC000774240793 1205866092 /nfs/dbraw/zinc/86/60/92/1205866092.db2.gz CLFHTJFXELUJPX-UHFFFAOYSA-N -1 3 379.394 0.875 20 10 GCCDHM CS(C)(=O)=NS(=O)(=O)[N-]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001185711186 1205928281 /nfs/dbraw/zinc/92/82/81/1205928281.db2.gz KRVCIGLNFSUSEG-ZDUSSCGKSA-N -1 3 388.515 0.450 20 10 GCCDHM CN(C)c1ccc([C@H](CNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)N(C)C)cc1 ZINC001598313269 991287496 /nfs/dbraw/zinc/28/74/96/991287496.db2.gz HEDJVFIOFWWJNM-IRXDYDNUSA-N -1 3 390.484 0.795 20 10 GCCDHM CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C(=O)[O-])C1 ZINC001598609019 993729851 /nfs/dbraw/zinc/72/98/51/993729851.db2.gz IZBXBOINNDPERT-INIZCTEOSA-N -1 3 390.484 0.806 20 10 GCCDHM CN1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C[C@H](C(=O)[O-])C1 ZINC001598609020 993730802 /nfs/dbraw/zinc/73/08/02/993730802.db2.gz IZBXBOINNDPERT-MRXNPFEDSA-N -1 3 390.484 0.806 20 10 GCCDHM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265550041 530185151 /nfs/dbraw/zinc/18/51/51/530185151.db2.gz PSIUEDAQXQCAEM-NXEZZACHSA-N -1 3 376.456 0.411 20 10 GCCDHM C[C@@H]1[C@H](C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCS1(=O)=O ZINC000265550047 530185395 /nfs/dbraw/zinc/18/53/95/530185395.db2.gz PSIUEDAQXQCAEM-VHSXEESVSA-N -1 3 376.456 0.411 20 10 GCCDHM COC(=O)C[C@H]1CSCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271385419 530271946 /nfs/dbraw/zinc/27/19/46/530271946.db2.gz KUHSXUHZOQCSCC-NSHDSACASA-N -1 3 388.467 0.884 20 10 GCCDHM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000273244176 530286674 /nfs/dbraw/zinc/28/66/74/530286674.db2.gz ZHGIXPJYTDXGAA-MRVPVSSYSA-N -1 3 398.213 0.870 20 10 GCCDHM CCN(Cc1cc(Br)ccc1[O-])C(=O)C(=O)NCC(=O)N(C)C ZINC000275904566 530317786 /nfs/dbraw/zinc/31/77/86/530317786.db2.gz JTIPGAXLACIFRL-UHFFFAOYSA-N -1 3 386.246 0.708 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1 ZINC000277593998 530333534 /nfs/dbraw/zinc/33/35/34/530333534.db2.gz DNAQAZQFVSELLW-GFCCVEGCSA-N -1 3 390.483 0.803 20 10 GCCDHM CC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000288677210 530420057 /nfs/dbraw/zinc/42/00/57/530420057.db2.gz MROVCRUWAKHOMV-CMPLNLGQSA-N -1 3 390.483 0.801 20 10 GCCDHM O=S1(=O)C[C@H](NCc2cc(Cl)c(F)cc2[O-])[C@H](N2CCOCC2)C1 ZINC000293536746 530566560 /nfs/dbraw/zinc/56/65/60/530566560.db2.gz FKMQVWXQKHSLNT-UONOGXRCSA-N -1 3 378.853 0.772 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)C1 ZINC000826389790 607702944 /nfs/dbraw/zinc/70/29/44/607702944.db2.gz ILPIWMAUVDILKD-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)C1 ZINC000826389790 607702945 /nfs/dbraw/zinc/70/29/45/607702945.db2.gz ILPIWMAUVDILKD-ZDUSSCGKSA-N -1 3 394.439 0.827 20 10 GCCDHM COC[C@@H](NC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(N)=O ZINC000826151105 608009450 /nfs/dbraw/zinc/00/94/50/608009450.db2.gz TZTOZJQEKHRZHO-OAHLLOKOSA-N -1 3 383.412 0.504 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)c1 ZINC000740936552 640218598 /nfs/dbraw/zinc/21/85/98/640218598.db2.gz NHTJPEQWKAZHFC-JQWIXIFHSA-N -1 3 390.483 0.849 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCC2CCS(=O)(=O)CC2)c1 ZINC000756810951 640496308 /nfs/dbraw/zinc/49/63/08/640496308.db2.gz ZCJXSSQMSPJUHR-UHFFFAOYSA-N -1 3 376.456 0.318 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCS(=O)(=O)CC2CC2)c1 ZINC000768289040 640749791 /nfs/dbraw/zinc/74/97/91/640749791.db2.gz PMFJFGKHOWJHJM-UHFFFAOYSA-N -1 3 376.456 0.318 20 10 GCCDHM CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000769651632 640780395 /nfs/dbraw/zinc/78/03/95/640780395.db2.gz HTEARNCTAOFBBL-LBPRGKRZSA-N -1 3 390.483 0.803 20 10 GCCDHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769855968 640787679 /nfs/dbraw/zinc/78/76/79/640787679.db2.gz SNCZQCZQKQGOAK-UWVGGRQHSA-N -1 3 378.472 0.657 20 10 GCCDHM CS(=O)(=O)NC[C@H]1COCCN1Cc1ccc(Br)cc1[O-] ZINC000877675809 641584069 /nfs/dbraw/zinc/58/40/69/641584069.db2.gz UXOWKXMTNXOQRZ-LBPRGKRZSA-N -1 3 379.276 0.905 20 10 GCCDHM NS(=O)(=O)C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)CC1 ZINC000845834542 642454074 /nfs/dbraw/zinc/45/40/74/642454074.db2.gz UMUJKQXULPPUPE-CYBMUJFWSA-N -1 3 387.889 0.947 20 10 GCCDHM Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3cccc(O)c3[O-])CC2)cn1 ZINC000279322548 1192523321 /nfs/dbraw/zinc/52/33/21/1192523321.db2.gz PNMDZESAPDDAPU-UHFFFAOYSA-N -1 3 380.426 0.414 20 10 GCCDHM O=C(c1cccc(O)c1[O-])N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000279397366 1192536068 /nfs/dbraw/zinc/53/60/68/1192536068.db2.gz WEHOVRLUZRCHBH-UHFFFAOYSA-N -1 3 385.424 0.687 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCN(c3cccnn3)CC2)c1 ZINC000277415339 1186371085 /nfs/dbraw/zinc/37/10/85/1186371085.db2.gz DAUNQJKWQNCXSY-UHFFFAOYSA-N -1 3 391.453 0.953 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c1 ZINC000378361973 1189489138 /nfs/dbraw/zinc/48/91/38/1189489138.db2.gz UXTKTLZODODRIO-MRXNPFEDSA-N -1 3 389.433 0.989 20 10 GCCDHM O=C(Cn1cc(Cl)cn1)N1CC2(C1)CN(C(=O)c1cccc(O)c1[O-])C2 ZINC001271241942 1196285701 /nfs/dbraw/zinc/28/57/01/1196285701.db2.gz MIDSUJKOVQXTJV-UHFFFAOYSA-N -1 3 376.800 0.932 20 10 GCCDHM Cn1cc(CN2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3[O-])CC2)cn1 ZINC000730035931 1201428519 /nfs/dbraw/zinc/42/85/19/1201428519.db2.gz VZVXDGOACIPSDB-UHFFFAOYSA-N -1 3 393.469 0.455 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000732300844 1201530846 /nfs/dbraw/zinc/53/08/46/1201530846.db2.gz URBURZRNVZXWPO-CYBMUJFWSA-N -1 3 381.454 0.991 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(OCC(N)=O)c2)c1 ZINC000743728751 1201823359 /nfs/dbraw/zinc/82/33/59/1201823359.db2.gz WBZDTNYXNIKSHS-UHFFFAOYSA-N -1 3 393.421 0.558 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 ZINC000769741475 1202070777 /nfs/dbraw/zinc/07/07/77/1202070777.db2.gz CGHHGKGHYSUJRI-CYBMUJFWSA-N -1 3 399.494 0.805 20 10 GCCDHM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cccc(O)c2[O-])c1 ZINC000790661211 1205469058 /nfs/dbraw/zinc/46/90/58/1205469058.db2.gz DFWMZCDXMBTMRA-SNVBAGLBSA-N -1 3 393.421 0.763 20 10 GCCDHM COCCNS(=O)(=O)c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000790741709 1205471020 /nfs/dbraw/zinc/47/10/20/1205471020.db2.gz PRUDNTKBUOYBBR-UHFFFAOYSA-N -1 3 380.422 0.953 20 10 GCCDHM Cn1nncc1NC(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000810396313 1205636780 /nfs/dbraw/zinc/63/67/80/1205636780.db2.gz KCZDEZKQCSAWTL-ZDUSSCGKSA-N -1 3 392.847 0.893 20 10 GCCDHM Cn1nnnc1C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC001177023348 1205760111 /nfs/dbraw/zinc/76/01/11/1205760111.db2.gz MJQGGHYXTBIDJI-UHFFFAOYSA-N -1 3 380.430 0.307 20 10 GCCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@H]1CCOC1 ZINC001181316193 1205841919 /nfs/dbraw/zinc/84/19/19/1205841919.db2.gz WWYDMOLPNLJPAW-GXFFZTMASA-N -1 3 386.426 0.319 20 10 GCCDHM O=C([C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21)N1CCN2CC[C@H]2C1 ZINC001185550821 1205923612 /nfs/dbraw/zinc/92/36/12/1205923612.db2.gz YWFKMTSBBGRSEU-DTWKUNHWSA-N -1 3 386.360 0.496 20 10 GCCDHM O=S(=O)(NC[C@H](O)c1ccc(O)c(O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185557018 1205923871 /nfs/dbraw/zinc/92/38/71/1205923871.db2.gz RAYNJXVORRBMGL-AWEZNQCLSA-N -1 3 377.382 0.290 20 10 GCCDHM O=S(=O)(NC[C@H](O)c1ccc(O)c(O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185557018 1205923872 /nfs/dbraw/zinc/92/38/72/1205923872.db2.gz RAYNJXVORRBMGL-AWEZNQCLSA-N -1 3 377.382 0.290 20 10 GCCDHM CN(C)c1ccc(CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000014527337 530137722 /nfs/dbraw/zinc/13/77/22/530137722.db2.gz SGZQINZICJICJG-UHFFFAOYSA-N -1 3 381.230 0.682 20 10 GCCDHM COc1cc(Cl)cc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1[O-] ZINC000273726174 530290920 /nfs/dbraw/zinc/29/09/20/530290920.db2.gz JJBSQIIPEOHCKK-LBPRGKRZSA-N -1 3 376.862 0.789 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737106264 598924796 /nfs/dbraw/zinc/92/47/96/598924796.db2.gz QLYOULLTJHSMGP-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737106264 598924798 /nfs/dbraw/zinc/92/47/98/598924798.db2.gz QLYOULLTJHSMGP-UHFFFAOYSA-N -1 3 386.343 0.975 20 10 GCCDHM COc1ccc(N2CCN(CCNc3nccnc3-c3nnn[n-]3)CC2)cc1 ZINC000737098040 598350446 /nfs/dbraw/zinc/35/04/46/598350446.db2.gz BEVUDAQBSGVWJS-UHFFFAOYSA-N -1 3 381.444 0.899 20 10 GCCDHM COc1ccc(N2CCN(CCNc3nccnc3-c3nn[n-]n3)CC2)cc1 ZINC000737098040 598350449 /nfs/dbraw/zinc/35/04/49/598350449.db2.gz BEVUDAQBSGVWJS-UHFFFAOYSA-N -1 3 381.444 0.899 20 10 GCCDHM Cc1cc(C(=O)NCCS(N)(=O)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737236153 598619112 /nfs/dbraw/zinc/61/91/12/598619112.db2.gz DVXYQQMCTHLRBL-UHFFFAOYSA-N -1 3 389.441 0.293 20 10 GCCDHM COc1ccc(N2CCN(CCNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2)cc1 ZINC000826209688 607708318 /nfs/dbraw/zinc/70/83/18/607708318.db2.gz MHFUPJMRQDFAML-UHFFFAOYSA-N -1 3 396.455 0.755 20 10 GCCDHM COc1ccc(N2CCN(CCNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2)cc1 ZINC000826209688 607708320 /nfs/dbraw/zinc/70/83/20/607708320.db2.gz MHFUPJMRQDFAML-UHFFFAOYSA-N -1 3 396.455 0.755 20 10 GCCDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1cc2c(cc1O)OCO2 ZINC000820803939 606769200 /nfs/dbraw/zinc/76/92/00/606769200.db2.gz JYJMFWJVQZZQSF-LLVKDONJSA-N -1 3 396.411 0.802 20 10 GCCDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000826277582 608360094 /nfs/dbraw/zinc/36/00/94/608360094.db2.gz YWSLJXXXWITGHK-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000826277582 608360096 /nfs/dbraw/zinc/36/00/96/608360096.db2.gz YWSLJXXXWITGHK-UHFFFAOYSA-N -1 3 382.380 0.884 20 10 GCCDHM O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826439039 608360461 /nfs/dbraw/zinc/36/04/61/608360461.db2.gz CEFNOFIRPQNCEX-UHFFFAOYSA-N -1 3 386.343 0.714 20 10 GCCDHM O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826439039 608360462 /nfs/dbraw/zinc/36/04/62/608360462.db2.gz CEFNOFIRPQNCEX-UHFFFAOYSA-N -1 3 386.343 0.714 20 10 GCCDHM CCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000769651631 640780454 /nfs/dbraw/zinc/78/04/54/640780454.db2.gz HTEARNCTAOFBBL-GFCCVEGCSA-N -1 3 390.483 0.803 20 10 GCCDHM CS(=O)(=O)NC[C@@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000877674998 641583782 /nfs/dbraw/zinc/58/37/82/641583782.db2.gz PBEJSRZQWORKIG-GFCCVEGCSA-N -1 3 379.276 0.905 20 10 GCCDHM CS(=O)(=O)NC[C@H]1COCCN1Cc1cc(Br)ccc1[O-] ZINC000877675001 641583911 /nfs/dbraw/zinc/58/39/11/641583911.db2.gz PBEJSRZQWORKIG-LBPRGKRZSA-N -1 3 379.276 0.905 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000807799408 641673470 /nfs/dbraw/zinc/67/34/70/641673470.db2.gz IATJRMMKHUNXQK-JTQLQIEISA-N -1 3 376.456 0.318 20 10 GCCDHM O=C(Cn1cnnn1)N1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000825903446 642053883 /nfs/dbraw/zinc/05/38/83/642053883.db2.gz HTYXHOKMMAVIEO-UHFFFAOYSA-N -1 3 381.234 0.486 20 10 GCCDHM CC(=O)N1CCN(c2ccc(C[N-]S(=O)(=O)N=S(C)(C)=O)cc2)CC1 ZINC000867161708 642243883 /nfs/dbraw/zinc/24/38/83/642243883.db2.gz MAYLVVNZPCULJH-UHFFFAOYSA-N -1 3 388.515 0.417 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H](CO)Cc2cccnc2)c1 ZINC000278623493 1186997833 /nfs/dbraw/zinc/99/78/33/1186997833.db2.gz MQWABSDCWCKZPJ-CYBMUJFWSA-N -1 3 379.438 0.740 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000378151960 1189429985 /nfs/dbraw/zinc/42/99/85/1189429985.db2.gz XVFOQFHLXOCGHO-CZUORRHYSA-N -1 3 378.406 0.988 20 10 GCCDHM CCc1nn(C)c(OC)c1CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000271761681 1194410563 /nfs/dbraw/zinc/41/05/63/1194410563.db2.gz GUPSITUZUMYMMW-UHFFFAOYSA-N -1 3 382.442 0.998 20 10 GCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1C[C@@]2(F)C(=O)N(CC(F)F)C[C@@]2(F)C1 ZINC001271882554 1196690809 /nfs/dbraw/zinc/69/08/09/1196690809.db2.gz NCFAJHXVJSWERG-HUUCEWRRSA-N -1 3 378.278 0.783 20 10 GCCDHM O=C(c1cc(O)c([O-])c(O)c1)N1CC2(C1)COCC(=O)N2CC(F)(F)F ZINC001271882431 1196691393 /nfs/dbraw/zinc/69/13/93/1196691393.db2.gz KOHOXYBACSCYLD-UHFFFAOYSA-N -1 3 376.287 0.419 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)c1 ZINC000769731571 1202068656 /nfs/dbraw/zinc/06/86/56/1202068656.db2.gz BEGRVRIURZMKEX-CQSZACIVSA-N -1 3 377.422 0.590 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ncccc2S(C)(=O)=O)c1 ZINC000787710737 1205399310 /nfs/dbraw/zinc/39/93/10/1205399310.db2.gz NCGMOSZWPWTTKF-UHFFFAOYSA-N -1 3 399.450 0.492 20 10 GCCDHM CN(Cc1ncnn1CC(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000787858712 1205405734 /nfs/dbraw/zinc/40/57/34/1205405734.db2.gz UXEHJDZNVBZDPA-UHFFFAOYSA-N -1 3 389.384 0.893 20 10 GCCDHM O=S(=O)(NCCc1cc(O)c(O)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC001185620683 1205926797 /nfs/dbraw/zinc/92/67/97/1205926797.db2.gz MWHRUAOZIVYKOD-UHFFFAOYSA-N -1 3 377.382 0.505 20 10 GCCDHM O=S(=O)(NCCc1cc(O)c(O)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC001185620683 1205926798 /nfs/dbraw/zinc/92/67/98/1205926798.db2.gz MWHRUAOZIVYKOD-UHFFFAOYSA-N -1 3 377.382 0.505 20 10 GCCDHM COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@](F)(C(=O)[O-])C3)CC2)cc1 ZINC001599585090 993602466 /nfs/dbraw/zinc/60/24/66/993602466.db2.gz JBIMWHKATHFYPN-VQIMIIECSA-N -1 3 381.448 0.677 20 10 GCCDHM COc1ccc(N2CCN(C[C@H](O)CN3CC[C@](F)(C(=O)[O-])C3)CC2)cc1 ZINC001599585089 993602672 /nfs/dbraw/zinc/60/26/72/993602672.db2.gz JBIMWHKATHFYPN-QFBILLFUSA-N -1 3 381.448 0.677 20 10 GCCDHM COc1cc(Cl)cc(CN2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1O ZINC001599420293 997582789 /nfs/dbraw/zinc/58/27/89/997582789.db2.gz CWYMPUORYTZQHY-QWRGUYRKSA-N -1 3 383.788 0.634 20 10 GCCDHM COc1cc(Cl)cc(C[N@@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1[O-] ZINC001599420293 997582801 /nfs/dbraw/zinc/58/28/01/997582801.db2.gz CWYMPUORYTZQHY-QWRGUYRKSA-N -1 3 383.788 0.634 20 10 GCCDHM COc1cc(Cl)cc(C[N@H+]2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)[O-])c1[O-] ZINC001599420293 997582808 /nfs/dbraw/zinc/58/28/08/997582808.db2.gz CWYMPUORYTZQHY-QWRGUYRKSA-N -1 3 383.788 0.634 20 10 GCCDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001599149477 998269934 /nfs/dbraw/zinc/26/99/34/998269934.db2.gz ZNNLNRFNIGOJHT-IBGZPJMESA-N -1 3 397.447 0.748 20 10 GCCDHM C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000265550044 530185194 /nfs/dbraw/zinc/18/51/94/530185194.db2.gz PSIUEDAQXQCAEM-UWVGGRQHSA-N -1 3 376.456 0.411 20 10 GCCDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])C(=O)CN1CCCS1(=O)=O ZINC000272186927 530279096 /nfs/dbraw/zinc/27/90/96/530279096.db2.gz DZBIAEWMPQTNMH-UHFFFAOYSA-N -1 3 390.845 0.583 20 10 GCCDHM COc1cc(Cl)cc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1[O-] ZINC000273726169 530290794 /nfs/dbraw/zinc/29/07/94/530290794.db2.gz JJBSQIIPEOHCKK-GFCCVEGCSA-N -1 3 376.862 0.789 20 10 GCCDHM COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1[O-] ZINC000273776128 530291288 /nfs/dbraw/zinc/29/12/88/530291288.db2.gz RUHBCGVBWGRKJE-ZIAGYGMSSA-N -1 3 390.889 0.642 20 10 GCCDHM CCS(=O)(=O)NCCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000277368666 530331302 /nfs/dbraw/zinc/33/13/02/530331302.db2.gz OGRCXDXYOKKVAX-UHFFFAOYSA-N -1 3 375.834 0.749 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000277594001 530333393 /nfs/dbraw/zinc/33/33/93/530333393.db2.gz DNAQAZQFVSELLW-LBPRGKRZSA-N -1 3 390.483 0.803 20 10 GCCDHM CC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000288677216 530420083 /nfs/dbraw/zinc/42/00/83/530420083.db2.gz MROVCRUWAKHOMV-JQWIXIFHSA-N -1 3 390.483 0.801 20 10 GCCDHM C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C[C@H](C)S1(=O)=O ZINC000291111821 530438778 /nfs/dbraw/zinc/43/87/78/530438778.db2.gz BVXWTIRIDRPOLX-AOOOYVTPSA-N -1 3 376.456 0.411 20 10 GCCDHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736772257 598398599 /nfs/dbraw/zinc/39/85/99/598398599.db2.gz DEHKVQLOCJWWMW-UHFFFAOYSA-N -1 3 379.424 0.979 20 10 GCCDHM CN(C)c1ccc(CNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736772257 598398601 /nfs/dbraw/zinc/39/86/01/598398601.db2.gz DEHKVQLOCJWWMW-UHFFFAOYSA-N -1 3 379.424 0.979 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCCS(=O)(=O)C2)c1 ZINC000807799409 641673644 /nfs/dbraw/zinc/67/36/44/641673644.db2.gz IATJRMMKHUNXQK-SNVBAGLBSA-N -1 3 376.456 0.318 20 10 GCCDHM Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000275351196 1184623651 /nfs/dbraw/zinc/62/36/51/1184623651.db2.gz MOXAJBMWFKARBU-JSGCOSHPSA-N -1 3 380.426 0.757 20 10 GCCDHM CN(C)S(=O)(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3[O-])C[C@H]2CC1 ZINC001271241419 1196283719 /nfs/dbraw/zinc/28/37/19/1196283719.db2.gz DNRCTWNHPVIRJE-BETUJISGSA-N -1 3 383.470 0.688 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000743704806 1201822732 /nfs/dbraw/zinc/82/27/32/1201822732.db2.gz NSGLAGVEXZRMCJ-ZDUSSCGKSA-N -1 3 383.470 0.558 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](N3CCNC3=O)C2)c1 ZINC000744356196 1201840836 /nfs/dbraw/zinc/84/08/36/1201840836.db2.gz KDVAXDLHAKEZAJ-LBPRGKRZSA-N -1 3 382.442 0.394 20 10 GCCDHM C[C@](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])(C(N)=O)c1ccccc1 ZINC000769742394 1202070839 /nfs/dbraw/zinc/07/08/39/1202070839.db2.gz HOGDKJDMXVKPID-QGZVFWFLSA-N -1 3 377.422 0.894 20 10 GCCDHM COC(=O)C[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCOC1 ZINC000771652264 1202152999 /nfs/dbraw/zinc/15/29/99/1202152999.db2.gz RERDXHLLOWYDRJ-INIZCTEOSA-N -1 3 386.426 0.606 20 10 GCCDHM COC(=O)C[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCCOC1 ZINC000771652267 1202153081 /nfs/dbraw/zinc/15/30/81/1202153081.db2.gz RERDXHLLOWYDRJ-MRXNPFEDSA-N -1 3 386.426 0.606 20 10 GCCDHM C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@@H](C)O1 ZINC000790528689 1205466994 /nfs/dbraw/zinc/46/69/94/1205466994.db2.gz UIQJQSFDKNIQND-CHWSQXEVSA-N -1 3 399.469 0.210 20 10 GCCDHM C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)c3cccc(O)c3[O-])CC2)C[C@H](C)O1 ZINC000790528690 1205467008 /nfs/dbraw/zinc/46/70/08/1205467008.db2.gz UIQJQSFDKNIQND-STQMWFEESA-N -1 3 399.469 0.210 20 10 GCCDHM CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cccc(O)c3[O-])cn2)CC1 ZINC000790708452 1205469606 /nfs/dbraw/zinc/46/96/06/1205469606.db2.gz XDUJCAPRODKIEY-UHFFFAOYSA-N -1 3 392.437 0.827 20 10 GCCDHM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1cccc(O)c1[O-] ZINC000790874735 1205471715 /nfs/dbraw/zinc/47/17/15/1205471715.db2.gz UPJCHBHNLGDHFH-UHFFFAOYSA-N -1 3 380.422 0.641 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000804733827 1205524401 /nfs/dbraw/zinc/52/44/01/1205524401.db2.gz NUYGAKBITIZQFX-UHFFFAOYSA-N -1 3 396.425 0.014 20 10 GCCDHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2ccccc2S(N)(=O)=O)c1 ZINC000807860264 1205591591 /nfs/dbraw/zinc/59/15/91/1205591591.db2.gz MOUJLNLOUYTPIJ-UHFFFAOYSA-N -1 3 399.450 0.341 20 10 GCCDHM COC(=O)[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[C@@H]1CCOC1 ZINC001181316195 1205842140 /nfs/dbraw/zinc/84/21/40/1205842140.db2.gz WWYDMOLPNLJPAW-ZWNOBZJWSA-N -1 3 386.426 0.319 20 10 GCCDHM