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-])c1cccc(F)c1[N-]C(=O)c1cnns1 ZINC000082269717 177938983 /nfs/dbraw/zinc/93/89/83/177938983.db2.gz JMQWCDVUEZRYSJ-UHFFFAOYSA-N -2 3 267.241 1.628 10 0 CDAEHL COC(=O)c1oc(C(=O)[N-]c2n[n-]c(SC)n2)cc1C ZINC000599227816 343986898 /nfs/dbraw/zinc/98/68/98/343986898.db2.gz LWQSSQSZLDTUPV-UHFFFAOYSA-N -2 3 296.308 1.467 10 0 CDAEHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000133283085 342069986 /nfs/dbraw/zinc/06/99/86/342069986.db2.gz BAQBCEJGUCMFDV-RQJHMYQMSA-N -2 3 293.291 1.352 10 0 CDAEHL Cc1n[n-]c(=NC(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000606476125 345015215 /nfs/dbraw/zinc/01/52/15/345015215.db2.gz NSAOWZVKMUHADC-UHFFFAOYSA-N -2 3 282.300 1.435 10 0 CDAEHL CCOC(=O)c1cc2c([O-])cc([O-])cc2oc1=O ZINC000098178325 358815729 /nfs/dbraw/zinc/81/57/29/358815729.db2.gz KPAFYDHPFBSMCF-UHFFFAOYSA-N -2 3 250.206 1.381 10 0 CDAEHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000011755506 358872130 /nfs/dbraw/zinc/87/21/30/358872130.db2.gz WBYBQFUOFIZLAO-IMTBSYHQSA-N -2 3 290.341 1.069 10 0 CDAEHL O=C([O-])CSc1n[n-]c([C@H]2COc3ccccc3O2)n1 ZINC000020159518 171040131 /nfs/dbraw/zinc/04/01/31/171040131.db2.gz ZZWIWFGEPHGTAZ-SECBINFHSA-N -2 3 293.304 1.494 10 0 CDAEHL CC[C@@H](C)[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483683 174286886 /nfs/dbraw/zinc/28/68/86/174286886.db2.gz VDEQUFPTURDOFQ-RDDDGLTNSA-N -2 3 294.307 1.395 10 0 CDAEHL Cc1ccccc1Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000043560411 175066578 /nfs/dbraw/zinc/06/65/78/175066578.db2.gz DPAARDAHFDNXBT-UHFFFAOYSA-N -2 3 286.331 1.995 10 0 CDAEHL C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nnn[n-]1 ZINC000044345705 175165420 /nfs/dbraw/zinc/16/54/20/175165420.db2.gz LRJOBHVQBZMMRU-RXMQYKEDSA-N -2 3 267.676 1.050 10 0 CDAEHL C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nn[n-]n1 ZINC000044345705 175165421 /nfs/dbraw/zinc/16/54/21/175165421.db2.gz LRJOBHVQBZMMRU-RXMQYKEDSA-N -2 3 267.676 1.050 10 0 CDAEHL O=C(N=c1cc2ccccn2[n-]1)c1s[n-]c(=O)c1Cl ZINC000553325101 290112114 /nfs/dbraw/zinc/11/21/14/290112114.db2.gz ZXWWBJONBPDVLC-UHFFFAOYSA-N -2 3 294.723 1.824 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1cc(C)ccc1C(=O)[O-] ZINC000577004348 317248641 /nfs/dbraw/zinc/24/86/41/317248641.db2.gz GCHCJSJLMQZDOZ-UHFFFAOYSA-N -2 3 287.337 1.471 10 0 CDAEHL O=C([O-])c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000055270723 526403193 /nfs/dbraw/zinc/40/31/93/526403193.db2.gz OLUZFMASNFTIOM-UHFFFAOYSA-N -2 3 274.320 1.936 10 0 CDAEHL Cc1nc(Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cs1 ZINC000055296398 526928731 /nfs/dbraw/zinc/92/87/31/526928731.db2.gz AEIDJAVNVDQKOS-UHFFFAOYSA-N -2 3 293.348 1.451 10 0 CDAEHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000871995969 677835763 /nfs/dbraw/zinc/83/57/63/677835763.db2.gz BREAUUZPFINFOD-LLVKDONJSA-N -2 3 273.310 1.201 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)ccnc1Cl ZINC001647868415 1169069357 /nfs/dbraw/zinc/06/93/57/1169069357.db2.gz POTMOBISTKELTP-UHFFFAOYSA-N -2 3 298.661 1.005 10 0 CDAEHL O=C([N-]Oc1ccccc1F)c1cnc(C2CC2)[n-]c1=O ZINC001471718615 970470882 /nfs/dbraw/zinc/47/08/82/970470882.db2.gz NFEOUWQRNMUDMZ-UHFFFAOYSA-N -2 3 289.266 1.923 10 0 CDAEHL CO[C@H](C(=O)N=c1ccc([O-])n[n-]1)C1CCCCC1 ZINC000622846186 342261270 /nfs/dbraw/zinc/26/12/70/342261270.db2.gz BIJKLLVJDYXLJY-LBPRGKRZSA-N -2 3 265.313 1.138 10 0 CDAEHL O=C([O-])/C(=C\c1cccc2c1NCC2)CP(=O)([O-])[O-] ZINC000089209966 358395706 /nfs/dbraw/zinc/39/57/06/358395706.db2.gz HHUQVUAPLRCDPG-POHAHGRESA-N -3 3 283.220 1.300 10 0 CDAEHL CCN=c1[n-]c(C(=O)NCc2ncccc2[O-])cs1 ZINC000352986509 364696676 /nfs/dbraw/zinc/69/66/76/364696676.db2.gz HSIUXJZAMUADOL-UHFFFAOYSA-N -2 3 278.337 1.027 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](C(=O)[O-])CC2)o1 ZINC000630434158 368948617 /nfs/dbraw/zinc/94/86/17/368948617.db2.gz IXEAIXHJCUTOEA-MGCOHNPYSA-N -2 3 287.337 1.510 10 0 CDAEHL O=C([O-])c1cc([O-])c2c(c1)Cc1cccc(O)c1C2=O ZINC000001636654 373658391 /nfs/dbraw/zinc/65/83/91/373658391.db2.gz OZFQHULMMDWMIV-UHFFFAOYSA-N -2 3 270.240 1.931 10 0 endogenous,in-man CDAEHL O=C([O-])c1cc(O)c2c(c1)Cc1cccc([O-])c1C2=O ZINC000001636654 373658397 /nfs/dbraw/zinc/65/83/97/373658397.db2.gz OZFQHULMMDWMIV-UHFFFAOYSA-N -2 3 270.240 1.931 10 0 endogenous,in-man CDAEHL O=C([O-])[C@H](O)c1c([O-])cc(F)cc1C(F)(F)F ZINC000575704109 373961086 /nfs/dbraw/zinc/96/10/86/373961086.db2.gz UUIVUVYIXDAAQO-SSDOTTSWSA-N -2 3 254.135 1.668 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000071234554 292375868 /nfs/dbraw/zinc/37/58/68/292375868.db2.gz RVOQJMVUWKFIGH-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])cn1)C(=O)[O-] ZINC000005498849 170104889 /nfs/dbraw/zinc/10/48/89/170104889.db2.gz JIENRYNUZMLGNO-SNVBAGLBSA-N -2 3 282.296 1.308 10 0 CDAEHL CC[C@@H](C)[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022176925 171370885 /nfs/dbraw/zinc/37/08/85/171370885.db2.gz AVMJALQEFFBKRC-HQJQHLMTSA-N -2 3 267.281 1.327 10 0 CDAEHL CCC[C@](C)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000036337370 172621521 /nfs/dbraw/zinc/62/15/21/172621521.db2.gz HCECFCYGKUXULV-ZDUSSCGKSA-N -2 3 267.281 1.471 10 0 CDAEHL O=C([O-])Cc1csc(SCc2cc(=O)c([O-])co2)n1 ZINC000071300398 176113714 /nfs/dbraw/zinc/11/37/14/176113714.db2.gz RVIBHFSYJSSTOT-UHFFFAOYSA-N -2 3 299.329 1.721 10 0 CDAEHL CC[C@H](COC)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000079770449 177553605 /nfs/dbraw/zinc/55/36/05/177553605.db2.gz GZEITUVQULCRES-SECBINFHSA-N -2 3 282.296 1.637 10 0 CDAEHL Cc1noc([N-]C(=O)c2c([O-])cc(F)cc2F)n1 ZINC000049448517 424403697 /nfs/dbraw/zinc/40/36/97/424403697.db2.gz NGAKPCRDIPWZRS-UHFFFAOYSA-N -2 3 255.180 1.614 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c[nH]cn1 ZINC000131387365 279673619 /nfs/dbraw/zinc/67/36/19/279673619.db2.gz VQXDQCFIKIHGLK-UHFFFAOYSA-N -2 3 257.246 1.055 10 0 CDAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1[O-] ZINC000527499633 281145749 /nfs/dbraw/zinc/14/57/49/281145749.db2.gz NZKQJMOTJZBDAD-LBPRGKRZSA-N -2 3 273.292 1.641 10 0 CDAEHL CCC[C@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263542111 1182239189 /nfs/dbraw/zinc/23/91/89/1182239189.db2.gz DLEWPRCXNFXLBR-VIFPVBQESA-N -2 3 269.301 1.629 10 0 CDAEHL CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)CC(=O)[O-] ZINC000061178413 520089179 /nfs/dbraw/zinc/08/91/79/520089179.db2.gz UCAHZXUNESKAJW-VIFPVBQESA-N -2 3 281.308 1.726 10 0 CDAEHL CSCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000069457811 525507363 /nfs/dbraw/zinc/50/73/63/525507363.db2.gz WNYQHBRRGSGFKS-UHFFFAOYSA-N -2 3 270.310 1.575 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062767300 527022163 /nfs/dbraw/zinc/02/21/63/527022163.db2.gz JFBKVTRWICZGFG-HTQZYQBOSA-N -2 3 271.342 1.234 10 0 CDAEHL CC(C)=CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994524 679843365 /nfs/dbraw/zinc/84/33/65/679843365.db2.gz WUFMJTXOXZISHF-UHFFFAOYSA-N -2 3 259.283 1.222 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@H](C)C(=O)[O-] ZINC000133196520 682840347 /nfs/dbraw/zinc/84/03/47/682840347.db2.gz VIMGFRRFQZHEIX-NKWVEPMBSA-N -2 3 292.744 1.123 10 0 CDAEHL CC1(C(=O)[O-])CCN(C(=O)c2ccc(N)cc2[O-])CC1 ZINC000849366334 683312098 /nfs/dbraw/zinc/31/20/98/683312098.db2.gz RJXSONOEICYLRL-UHFFFAOYSA-N -2 3 278.308 1.301 10 0 CDAEHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001468409531 970161260 /nfs/dbraw/zinc/16/12/60/970161260.db2.gz MIYIJUWWPPVPMX-UHFFFAOYSA-N -2 3 287.275 1.733 10 0 CDAEHL CSc1nc(NC(=O)c2s[n-]c(=O)c2Cl)n[n-]1 ZINC001361980589 970738486 /nfs/dbraw/zinc/73/84/86/970738486.db2.gz LTEJXUKYQFDCHI-UHFFFAOYSA-N -2 3 291.745 1.594 10 0 CDAEHL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000643853916 361940760 /nfs/dbraw/zinc/94/07/60/361940760.db2.gz NSZFZIMSUQZZQY-HNNXBMFYSA-N -2 3 293.319 1.406 10 0 CDAEHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000275068728 192901352 /nfs/dbraw/zinc/90/13/52/192901352.db2.gz WDQZLXQRMVFBPQ-MRVPVSSYSA-N -2 3 289.328 1.523 10 0 CDAEHL O=C([O-])c1coc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000368300006 369425849 /nfs/dbraw/zinc/42/58/49/369425849.db2.gz LKOFMWNFGJVEKS-UHFFFAOYSA-N -2 3 299.246 1.410 10 0 CDAEHL O=C([O-])c1coc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000368300006 369425855 /nfs/dbraw/zinc/42/58/55/369425855.db2.gz LKOFMWNFGJVEKS-UHFFFAOYSA-N -2 3 299.246 1.410 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000331249664 203656556 /nfs/dbraw/zinc/65/65/56/203656556.db2.gz YKKSSBWGVWCIAI-UHFFFAOYSA-N -2 3 273.354 1.867 10 0 CDAEHL Nc1ccc(CC(=O)[O-])c([O-])c1I ZINC000575719447 374019373 /nfs/dbraw/zinc/01/93/73/374019373.db2.gz SEYUNGIJQFFSPI-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL O=C([O-])c1ccc(Cl)c(NC(=O)c2cnn[n-]2)c1 ZINC000071215055 176086427 /nfs/dbraw/zinc/08/64/27/176086427.db2.gz XDZIIGDVWDBEJX-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(Cl)c(NC(=O)c2c[n-]nn2)c1 ZINC000071215055 176086429 /nfs/dbraw/zinc/08/64/29/176086429.db2.gz XDZIIGDVWDBEJX-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(Cl)c(NC(=O)c2cn[n-]n2)c1 ZINC000071215055 176086430 /nfs/dbraw/zinc/08/64/30/176086430.db2.gz XDZIIGDVWDBEJX-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000071234514 176093026 /nfs/dbraw/zinc/09/30/26/176093026.db2.gz ZUCMNRJZZALTAW-UHFFFAOYSA-N -2 3 279.339 1.225 10 0 CDAEHL CCN(C(=O)c1ccccc1[O-])[C@@H](C)CC(=O)[O-] ZINC000061177922 520104284 /nfs/dbraw/zinc/10/42/84/520104284.db2.gz JYIHOXQCOCRWNL-VIFPVBQESA-N -2 3 251.282 1.718 10 0 CDAEHL COc1cc(F)ccc1[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000049566553 522616183 /nfs/dbraw/zinc/61/61/83/522616183.db2.gz UTXXYWMCHMFRID-LURJTMIESA-N -2 3 277.273 1.049 10 0 CDAEHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ncccc1[O-] ZINC000160776036 527171876 /nfs/dbraw/zinc/17/18/76/527171876.db2.gz BENPIHNXNXLPGN-UHFFFAOYSA-N -2 3 296.290 1.143 10 0 CDAEHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ncccc1[O-] ZINC000160776036 527171880 /nfs/dbraw/zinc/17/18/80/527171880.db2.gz BENPIHNXNXLPGN-UHFFFAOYSA-N -2 3 296.290 1.143 10 0 CDAEHL CC(C)C[C@@](C)(C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000926577883 686884107 /nfs/dbraw/zinc/88/41/07/686884107.db2.gz SVBBTHXKYYYYSJ-LBPRGKRZSA-N -2 3 289.353 1.695 10 0 CDAEHL O=C(CCc1nnn[n-]1)Nc1ccc([O-])c(Cl)c1 ZINC001466225557 969934772 /nfs/dbraw/zinc/93/47/72/969934772.db2.gz JXWZFCUXGYILFJ-UHFFFAOYSA-N -2 3 267.676 1.130 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)oc1C(=O)[O-] ZINC000634653770 356641765 /nfs/dbraw/zinc/64/17/65/356641765.db2.gz JFBNJBLXYHMMJL-SECBINFHSA-N -2 3 299.348 1.897 10 0 CDAEHL CCSCc1cc(C(=O)[N-]c2n[n-]c(OC)n2)no1 ZINC000186301019 357635569 /nfs/dbraw/zinc/63/55/69/357635569.db2.gz AIVBWFLNDBCUAN-UHFFFAOYSA-N -2 3 283.313 1.307 10 0 CDAEHL CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000263117325 359232047 /nfs/dbraw/zinc/23/20/47/359232047.db2.gz SABLOXAYVVAMQW-MNOVXSKESA-N -2 3 293.319 1.405 10 0 CDAEHL CC(C)C[C@@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263479718 359287461 /nfs/dbraw/zinc/28/74/61/359287461.db2.gz FZHAHKWHMHCQLY-SNVBAGLBSA-N -2 3 283.328 1.875 10 0 CDAEHL Cc1cnc(C(=O)Nc2nc(C)ccc2[O-])c([O-])c1 ZINC000431816291 361053086 /nfs/dbraw/zinc/05/30/86/361053086.db2.gz VFINJEGSKMYLNT-UHFFFAOYSA-N -2 3 259.265 1.757 10 0 CDAEHL S=c1[n-]nc(-c2nscc2Br)[n-]1 ZINC000404835854 372872105 /nfs/dbraw/zinc/87/21/05/372872105.db2.gz KMROORLZJOKFNV-UHFFFAOYSA-N -2 3 263.145 1.979 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000331246238 376798289 /nfs/dbraw/zinc/79/82/89/376798289.db2.gz SULUQDOFBZZUTC-UHFFFAOYSA-N -2 3 277.317 1.698 10 0 CDAEHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000678826184 483184573 /nfs/dbraw/zinc/18/45/73/483184573.db2.gz QAHSYYOZPODKEA-UHFFFAOYSA-N -2 3 270.266 1.190 10 0 CDAEHL CCC[C@@](C)(N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483709 174286794 /nfs/dbraw/zinc/28/67/94/174286794.db2.gz FUZUFCHTJGXCFZ-CQSZACIVSA-N -2 3 294.307 1.539 10 0 CDAEHL C[C@H]1COCCN1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040577901 174342931 /nfs/dbraw/zinc/34/29/31/174342931.db2.gz ABGUNKVYZZONHW-QMMMGPOBSA-N -2 3 280.280 1.343 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(C)ccc1[O-] ZINC000044611994 175217388 /nfs/dbraw/zinc/21/73/88/175217388.db2.gz CKSGCSIKXJZLPB-JTQLQIEISA-N -2 3 251.282 1.636 10 0 CDAEHL CC(C)(C)CC(C)(C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592095 518631737 /nfs/dbraw/zinc/63/17/37/518631737.db2.gz NGTSTVGOUKABMK-UHFFFAOYSA-N -2 3 287.385 1.919 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccnc(C(=O)[O-])c1 ZINC000061593848 521615605 /nfs/dbraw/zinc/61/56/05/521615605.db2.gz FJADAQIBPQMNSF-UHFFFAOYSA-N -2 3 280.309 1.226 10 0 CDAEHL C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000052297335 525326181 /nfs/dbraw/zinc/32/61/81/525326181.db2.gz MTIGFRNUMAJPEL-MUWHJKNJSA-N -2 3 250.254 1.620 10 0 CDAEHL CSC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000069440888 525683436 /nfs/dbraw/zinc/68/34/36/525683436.db2.gz YCTWRUWFROYCND-SSDOTTSWSA-N -2 3 293.366 1.255 10 0 CDAEHL O=C(c1c([O-])cccc1F)N1CCC[C@H]1c1nn[n-]n1 ZINC000720626573 692867497 /nfs/dbraw/zinc/86/74/97/692867497.db2.gz FWMZPTUSUIQTGE-QMMMGPOBSA-N -2 3 277.259 1.022 10 0 CDAEHL COc1ccc(C(=O)N[C@](C)(CC(=O)[O-])C2CC2)c([O-])c1 ZINC000864200992 1164516517 /nfs/dbraw/zinc/51/65/17/1164516517.db2.gz KJRPQSRRKHOCQF-OAHLLOKOSA-N -2 3 293.319 1.774 10 0 CDAEHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc(Cl)c([O-])c1 ZINC001454184128 968440605 /nfs/dbraw/zinc/44/06/05/968440605.db2.gz DJTGBFTXTJOZNQ-VIFPVBQESA-N -2 3 295.726 1.287 10 0 CDAEHL Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc(Cl)n1 ZINC001454188243 968442855 /nfs/dbraw/zinc/44/28/55/968442855.db2.gz GJTRHRUHJCLNSL-UHFFFAOYSA-N -2 3 294.698 1.175 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085328003 179018766 /nfs/dbraw/zinc/01/87/66/179018766.db2.gz RWMRWXHWXNKTCZ-IUCAKERBSA-N -2 3 289.378 1.670 10 0 CDAEHL CC[C@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000274884472 365842751 /nfs/dbraw/zinc/84/27/51/365842751.db2.gz DPEZQSURQBRBEI-QMMMGPOBSA-N -2 3 287.337 1.878 10 0 CDAEHL CCn1nccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000471951322 365031178 /nfs/dbraw/zinc/03/11/78/365031178.db2.gz JHYQGOLRYMIUHV-UHFFFAOYSA-N -2 3 285.300 1.549 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)F)sc1C(=O)[O-] ZINC000414337626 241161420 /nfs/dbraw/zinc/16/14/20/241161420.db2.gz JHMDBGHJQFKLFD-SSDOTTSWSA-N -2 3 295.357 1.781 10 0 CDAEHL O=C([O-])c1ccc(C(=O)[N-]c2nncs2)s1 ZINC000035185745 172039997 /nfs/dbraw/zinc/03/99/97/172039997.db2.gz IDQNSDBYBFQHLV-UHFFFAOYSA-N -2 3 255.280 1.550 10 0 CDAEHL CCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000037310117 173112761 /nfs/dbraw/zinc/11/27/61/173112761.db2.gz SMWQJLHEWFGWRT-UHFFFAOYSA-N -2 3 295.719 1.866 10 0 CDAEHL C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCO1 ZINC000040576398 174341830 /nfs/dbraw/zinc/34/18/30/174341830.db2.gz JVBQSADLCRMNFQ-PELKAZGASA-N -2 3 294.307 1.779 10 0 CDAEHL O=C([O-])CSc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000041018156 174451538 /nfs/dbraw/zinc/45/15/38/174451538.db2.gz AVCXZYHTCHYOQX-UHFFFAOYSA-N -2 3 285.306 1.560 10 0 CDAEHL O=C([O-])[C@]1(NC(=O)c2ccccc2[O-])CCSC1 ZINC000043503231 175059037 /nfs/dbraw/zinc/05/90/37/175059037.db2.gz VBBVQJZHIJHIAZ-LBPRGKRZSA-N -2 3 267.306 1.082 10 0 CDAEHL O=C([O-])[C@]1(C(=O)NCc2ncccc2[O-])CC=CCC1 ZINC000653285119 424358820 /nfs/dbraw/zinc/35/88/20/424358820.db2.gz DGFWQXJSAQDTLE-CQSZACIVSA-N -2 3 276.292 1.215 10 0 CDAEHL COc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000234973568 280126040 /nfs/dbraw/zinc/12/60/40/280126040.db2.gz DUBVYWOMSFZWEX-JOYOIKCWSA-N -2 3 293.319 1.726 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])o1 ZINC000576164256 317088680 /nfs/dbraw/zinc/08/86/80/317088680.db2.gz QPTLKVUSTVQTGU-VHSXEESVSA-N -2 3 287.337 1.510 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000582726166 325031537 /nfs/dbraw/zinc/03/15/37/325031537.db2.gz PRBVNJZBHVYNKT-JQWIXIFHSA-N -2 3 277.320 1.883 10 0 CDAEHL CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000054468308 521997498 /nfs/dbraw/zinc/99/74/98/521997498.db2.gz DSFVMAZBIYCQLS-SSDOTTSWSA-N -2 3 261.299 1.302 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)[C@H]2CCCOC2)c([O-])c1 ZINC000054768554 526377737 /nfs/dbraw/zinc/37/77/37/526377737.db2.gz NFCFYFPKSKXXGV-VIFPVBQESA-N -2 3 265.265 1.456 10 0 CDAEHL Cc1ccc(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000711530118 695835218 /nfs/dbraw/zinc/83/52/18/695835218.db2.gz PSDOQCDLUSJKRM-CQSZACIVSA-N -2 3 279.292 1.016 10 0 CDAEHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993711 724702400 /nfs/dbraw/zinc/70/24/00/724702400.db2.gz OHYVTBVWVIKEPH-ZETCQYMHSA-N -2 3 273.310 1.302 10 0 CDAEHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871992832 724722372 /nfs/dbraw/zinc/72/23/72/724722372.db2.gz FGOCNKJXDUGZEN-RKDXNWHRSA-N -2 3 287.337 1.835 10 0 CDAEHL COC1(C(=O)N=c2ccc([O-])n[n-]2)CCC(F)(F)CC1 ZINC000622846547 342261070 /nfs/dbraw/zinc/26/10/70/342261070.db2.gz OQMZORRNURUDKH-UHFFFAOYSA-N -2 3 287.266 1.137 10 0 CDAEHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCCF)c1 ZINC000274890852 365843674 /nfs/dbraw/zinc/84/36/74/365843674.db2.gz FXZVHLCEZRGSLE-UHFFFAOYSA-N -2 3 279.264 1.625 10 0 CDAEHL CC[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000271010259 190905713 /nfs/dbraw/zinc/90/57/13/190905713.db2.gz DKFGDNOTMVFIDT-QMMMGPOBSA-N -2 3 287.337 1.878 10 0 CDAEHL Cc1c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cnn1C ZINC000347418999 359358445 /nfs/dbraw/zinc/35/84/45/359358445.db2.gz OEIDBASPEIWAIS-PLNGDYQASA-N -2 3 288.307 1.330 10 0 CDAEHL CCc1cc(=O)[n-]c(CN(C)[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000566359281 370694711 /nfs/dbraw/zinc/69/47/11/370694711.db2.gz GEJFFRBTMJMEJQ-NSHDSACASA-N -2 3 281.356 1.676 10 0 CDAEHL O=c1cc(/C=C/c2cc(F)c([O-])c(F)c2)nc2nc[n-]n21 ZINC000436933414 361612749 /nfs/dbraw/zinc/61/27/49/361612749.db2.gz QDZSXFFXDKSIKN-OWOJBTEDSA-N -2 3 290.229 1.572 10 0 CDAEHL Cc1nc(CCCc2ccccc2)[n-]c(=O)c1C(=O)[O-] ZINC000034940609 364201648 /nfs/dbraw/zinc/20/16/48/364201648.db2.gz VBSFHMLAKLXUJM-UHFFFAOYSA-N -2 3 272.304 1.952 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(F)c(F)c(F)c2F)n[n-]1 ZINC000158875674 392457373 /nfs/dbraw/zinc/45/73/73/392457373.db2.gz ACKKCVNFCNLRGF-UHFFFAOYSA-N -2 3 290.176 1.622 10 0 CDAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccco1)C1CCC1 ZINC000663257282 414091373 /nfs/dbraw/zinc/09/13/73/414091373.db2.gz SYBZETAGTWYTAL-VIFPVBQESA-N -2 3 273.310 1.059 10 0 CDAEHL COc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1[O-] ZINC000043508487 175059708 /nfs/dbraw/zinc/05/97/08/175059708.db2.gz UBKDSDOXGMRILJ-ZDUSSCGKSA-N -2 3 297.332 1.091 10 0 CDAEHL Cc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])on1 ZINC000045012780 175289897 /nfs/dbraw/zinc/28/98/97/175289897.db2.gz AVSYMDPFCORJDQ-UHFFFAOYSA-N -2 3 291.263 1.709 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c1F ZINC000313222433 424373633 /nfs/dbraw/zinc/37/36/33/424373633.db2.gz WWWWYHZYFXRUFY-RKDXNWHRSA-N -2 3 289.328 1.522 10 0 CDAEHL CCc1cc(=O)[n-]c(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000579378145 324176234 /nfs/dbraw/zinc/17/62/34/324176234.db2.gz OCTWKQXLIVRUJI-HOSYDEDBSA-N -2 3 293.367 1.818 10 0 CDAEHL CCn1c(=O)[n-]nc1SC[C@@H](C(=O)[O-])c1ccccc1 ZINC000062767211 523093152 /nfs/dbraw/zinc/09/31/52/523093152.db2.gz HZPPUZHKAUZBRV-SNVBAGLBSA-N -2 3 293.348 1.552 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H](CC(=O)[O-])c1ccccc1 ZINC000062767207 523095259 /nfs/dbraw/zinc/09/52/59/523095259.db2.gz IYDYHNJWCLNXIM-SNVBAGLBSA-N -2 3 293.348 1.899 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000903042085 625792165 /nfs/dbraw/zinc/79/21/65/625792165.db2.gz QDWXZMOPFMLEBQ-QXEWZRGKSA-N -2 3 299.348 1.692 10 0 CDAEHL O=c1ccc2c(NC([O-])=C3CCCc4[nH]ncc43)[nH][n-]c-2c1 ZINC000615138257 348354569 /nfs/dbraw/zinc/35/45/69/348354569.db2.gz WPEBFPCFWLQLMD-SECBINFHSA-N -2 3 297.318 1.472 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c1 ZINC000634654030 356641862 /nfs/dbraw/zinc/64/18/62/356641862.db2.gz SUTSNTYCPRTJCV-SECBINFHSA-N -2 3 285.321 1.589 10 0 CDAEHL O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000070555812 358970381 /nfs/dbraw/zinc/97/03/81/358970381.db2.gz NFKFFZBOVPJTLM-IUCAKERBSA-N -2 3 289.378 1.670 10 0 CDAEHL O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1c[n-]nn1 ZINC000448493486 360955077 /nfs/dbraw/zinc/95/50/77/360955077.db2.gz WRVBQACQWPICMG-UHFFFAOYSA-N -2 3 273.227 1.273 10 0 CDAEHL O=C(N=c1cc(-c2ccccc2F)o[n-]1)c1cn[n-]n1 ZINC000448493486 360955079 /nfs/dbraw/zinc/95/50/79/360955079.db2.gz WRVBQACQWPICMG-UHFFFAOYSA-N -2 3 273.227 1.273 10 0 CDAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccc(F)cc1[O-] ZINC000436999084 361635602 /nfs/dbraw/zinc/63/56/02/361635602.db2.gz IRNVGUDGSAVDNQ-LBPRGKRZSA-N -2 3 291.282 1.780 10 0 CDAEHL CC(C)Cc1nc(=NCCCc2c[n-][nH]c2=O)s[n-]1 ZINC000631361183 376150523 /nfs/dbraw/zinc/15/05/23/376150523.db2.gz KWJRRRAHZCLCOV-VIFPVBQESA-N -2 3 281.385 1.082 10 0 CDAEHL Cc1cc([N-]S(=O)(=O)CC(=O)[O-])c2ccccc2n1 ZINC000020245421 171098802 /nfs/dbraw/zinc/09/88/02/171098802.db2.gz OMEMHOJACRJFRY-UHFFFAOYSA-N -2 3 280.305 1.370 10 0 CDAEHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000037731838 173652922 /nfs/dbraw/zinc/65/29/22/173652922.db2.gz HDYBZTJOHZODPE-UHFFFAOYSA-N -2 3 287.341 1.109 10 0 CDAEHL CC(C)CCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000903029871 625805886 /nfs/dbraw/zinc/80/58/86/625805886.db2.gz NQEDLRBFYSMFSK-SNVBAGLBSA-N -2 3 289.353 1.837 10 0 CDAEHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC1CCC1 ZINC001468167800 970131153 /nfs/dbraw/zinc/13/11/53/970131153.db2.gz YCXYQXWNSORUQR-UHFFFAOYSA-N -2 3 265.313 1.828 10 0 CDAEHL Cc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)c([O-])c1 ZINC000036884218 539141537 /nfs/dbraw/zinc/14/15/37/539141537.db2.gz WUGAAHRFMBTVNJ-UHFFFAOYSA-N -2 3 263.293 1.637 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000085323120 179016643 /nfs/dbraw/zinc/01/66/43/179016643.db2.gz PXHUSDCKTWHUKB-RYUDHWBXSA-N -2 3 263.293 1.765 10 0 CDAEHL CC(C)(C)c1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000359904486 368009281 /nfs/dbraw/zinc/00/92/81/368009281.db2.gz SUFDSEVYHDKGEX-UHFFFAOYSA-N -2 3 264.354 1.970 10 0 CDAEHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000573091129 371418614 /nfs/dbraw/zinc/41/86/14/371418614.db2.gz VVMIZYHWKIIXLU-VIFPVBQESA-N -2 3 275.326 1.447 10 0 CDAEHL O=C([O-])[C@H](O)c1cc(C(F)(F)F)c(F)cc1[O-] ZINC000575702292 373967237 /nfs/dbraw/zinc/96/72/37/373967237.db2.gz CMQUYLSDCRMUPD-SSDOTTSWSA-N -2 3 254.135 1.668 10 0 CDAEHL Cc1nc(C=Cc2cccnc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000193403739 393179705 /nfs/dbraw/zinc/17/97/05/393179705.db2.gz GRODNKPVJBZRIE-GQCTYLIASA-N -2 3 285.303 1.661 10 0 CDAEHL Cc1nc(-c2ccc(N(C)C)cc2)[n-]c(=O)c1C(=O)[O-] ZINC000037328301 173128573 /nfs/dbraw/zinc/12/85/73/173128573.db2.gz ZXWLXCLCVLRMJD-UHFFFAOYSA-N -2 3 273.292 1.510 10 0 CDAEHL CC(C)C[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483674 174286763 /nfs/dbraw/zinc/28/67/63/174286763.db2.gz XCWPPNJGZBCCST-NSHDSACASA-N -2 3 294.307 1.395 10 0 CDAEHL C[C@](N)(C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1)C1CC1 ZINC000040483700 174286990 /nfs/dbraw/zinc/28/69/90/174286990.db2.gz CBRYGPUZZCZUJY-CQSZACIVSA-N -2 3 292.291 1.149 10 0 CDAEHL CCCC[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483707 174287121 /nfs/dbraw/zinc/28/71/21/174287121.db2.gz TWZDDAFVJUVZKA-LLVKDONJSA-N -2 3 294.307 1.539 10 0 CDAEHL CCCNCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000044651076 175224936 /nfs/dbraw/zinc/22/49/36/175224936.db2.gz JCQIEUSBGFTHAD-UHFFFAOYSA-N -2 3 280.280 1.021 10 0 CDAEHL Cc1nc([C@@H]2CCC[C@H](C)C2)[n-]c(=O)c1CC(=O)[O-] ZINC000044981330 175282951 /nfs/dbraw/zinc/28/29/51/175282951.db2.gz VUDFWVBMYAXCTQ-WCBMZHEXSA-N -2 3 264.325 1.999 10 0 CDAEHL O=C([O-])c1cc2ccccc2cc1NC(=O)c1cnn[n-]1 ZINC000071215039 176086393 /nfs/dbraw/zinc/08/63/93/176086393.db2.gz ICHBQIUALXASTR-UHFFFAOYSA-N -2 3 282.259 1.908 10 0 CDAEHL O=C([O-])c1cc2ccccc2cc1NC(=O)c1c[n-]nn1 ZINC000071215039 176086394 /nfs/dbraw/zinc/08/63/94/176086394.db2.gz ICHBQIUALXASTR-UHFFFAOYSA-N -2 3 282.259 1.908 10 0 CDAEHL O=C([O-])c1cc2ccccc2cc1NC(=O)c1cn[n-]n1 ZINC000071215039 176086395 /nfs/dbraw/zinc/08/63/95/176086395.db2.gz ICHBQIUALXASTR-UHFFFAOYSA-N -2 3 282.259 1.908 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000079539520 177518033 /nfs/dbraw/zinc/51/80/33/177518033.db2.gz LFTCMAWQFNGXNM-GIFSMMMISA-N -2 3 289.331 1.930 10 0 CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000233981525 482994310 /nfs/dbraw/zinc/99/43/10/482994310.db2.gz YZUXPDXTRIBVLJ-HZGVNTEJSA-N -2 3 292.382 1.229 10 0 CDAEHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnoc2)ccc1[O-] ZINC000675752971 483362273 /nfs/dbraw/zinc/36/22/73/483362273.db2.gz ZHGDIWUXAGJTBH-UHFFFAOYSA-N -2 3 297.292 1.139 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H](C)CCC(=O)[O-] ZINC000061593753 519919459 /nfs/dbraw/zinc/91/94/59/519919459.db2.gz IGEHBBPENLYPMS-ZETCQYMHSA-N -2 3 259.331 1.498 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cn1 ZINC000061593845 521616308 /nfs/dbraw/zinc/61/63/08/521616308.db2.gz LCDIZMWATKZOGV-UHFFFAOYSA-N -2 3 280.309 1.226 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767225 523094034 /nfs/dbraw/zinc/09/40/34/523094034.db2.gz KQJRPSDDTBTUIE-VGMNWLOBSA-N -2 3 285.369 1.573 10 0 CDAEHL CC[C@@H](c1ccccc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591886 523104177 /nfs/dbraw/zinc/10/41/77/523104177.db2.gz REMIRAUHUQQGIF-JTQLQIEISA-N -2 3 293.348 1.748 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062767280 527021578 /nfs/dbraw/zinc/02/15/78/527021578.db2.gz JWYRPAWXBLIUMT-VIFPVBQESA-N -2 3 279.321 1.417 10 0 CDAEHL O=C([O-])/C=C/c1ccc(C(=O)[N-]c2nncs2)s1 ZINC000049594120 527545683 /nfs/dbraw/zinc/54/56/83/527545683.db2.gz KSGIMXPTTKATCW-DUXPYHPUSA-N -2 3 281.318 1.950 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCc1ccc(F)c(F)c1 ZINC000069055084 527615622 /nfs/dbraw/zinc/61/56/22/527615622.db2.gz CYCKUYXJIPBMGR-UHFFFAOYSA-N -2 3 259.208 1.030 10 0 CDAEHL O=C(c1ccc(F)cc1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217680 621370451 /nfs/dbraw/zinc/37/04/51/621370451.db2.gz PPQRNCCIQOLLQN-MRVPVSSYSA-N -2 3 291.282 1.590 10 0 CDAEHL C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000903024718 625801177 /nfs/dbraw/zinc/80/11/77/625801177.db2.gz NEELIHNNJCWFMK-YKDSUIRESA-N -2 3 299.348 1.548 10 0 CDAEHL Cc1ccc2c([O-])c(C(=O)[N-]n3ccccc3=O)cnc2n1 ZINC000777787319 730920352 /nfs/dbraw/zinc/92/03/52/730920352.db2.gz XAZCQWAPJZVIHO-UHFFFAOYSA-N -2 3 296.286 1.189 10 0 CDAEHL O=C(Nc1ccc(Cl)cc1[O-])c1c[n-]ncc1=O ZINC001632243305 1166337218 /nfs/dbraw/zinc/33/72/18/1166337218.db2.gz FDBAWIIJSLUKSU-UHFFFAOYSA-N -2 3 265.656 1.794 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cscc1Cl ZINC001470586907 970348344 /nfs/dbraw/zinc/34/83/44/970348344.db2.gz NRYYDGXYFDRTIJ-UHFFFAOYSA-N -2 3 285.712 1.533 10 0 CDAEHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000138543027 342441649 /nfs/dbraw/zinc/44/16/49/342441649.db2.gz AGRIOQVRNLTLSP-UHFFFAOYSA-N -2 3 287.312 1.359 10 0 CDAEHL CCCCC(CCCC)(c1nn[n-]n1)c1nn[n-]n1 ZINC000225755191 348745296 /nfs/dbraw/zinc/74/52/96/348745296.db2.gz UGOZXQHZNVEIDR-UHFFFAOYSA-N -2 3 264.337 1.379 10 0 CDAEHL CCCCC(CCCC)(c1nn[n-]n1)c1nnn[n-]1 ZINC000225755191 348745297 /nfs/dbraw/zinc/74/52/97/348745297.db2.gz UGOZXQHZNVEIDR-UHFFFAOYSA-N -2 3 264.337 1.379 10 0 CDAEHL C[C@]1(C(=O)N=c2ccc([O-])n[n-]2)CCCc2ccccc21 ZINC000415461767 391151802 /nfs/dbraw/zinc/15/18/02/391151802.db2.gz DWXQQWKGKAVBGE-INIZCTEOSA-N -2 3 283.331 1.837 10 0 CDAEHL Cc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000663152880 414007540 /nfs/dbraw/zinc/00/75/40/414007540.db2.gz MBHZXQFEKGKAPX-LBPRGKRZSA-N -2 3 277.320 1.931 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000037330140 173130912 /nfs/dbraw/zinc/13/09/12/173130912.db2.gz BXIBHQIGZPRBON-UHFFFAOYSA-N -2 3 251.282 1.637 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCc2ccccn2)c([O-])c1 ZINC000040552651 174329273 /nfs/dbraw/zinc/32/92/73/174329273.db2.gz RCDSBNCGFDNVPM-UHFFFAOYSA-N -2 3 287.275 1.807 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000044612887 175217445 /nfs/dbraw/zinc/21/74/45/175217445.db2.gz FXJGKGXXBHHATR-LBPRGKRZSA-N -2 3 288.303 1.463 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000147395642 289067556 /nfs/dbraw/zinc/06/75/56/289067556.db2.gz VCARSNOUPGWCCO-VIFPVBQESA-N -2 3 289.328 1.605 10 0 CDAEHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000576884031 317225080 /nfs/dbraw/zinc/22/50/80/317225080.db2.gz QVZCXRKVOJYJLW-BXKDBHETSA-N -2 3 299.348 1.233 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1cc(C(=O)[O-])ccn1 ZINC000061593860 519919217 /nfs/dbraw/zinc/91/92/17/519919217.db2.gz GESCIJNLIYICPM-UHFFFAOYSA-N -2 3 280.309 1.397 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000061215231 521244654 /nfs/dbraw/zinc/24/46/54/521244654.db2.gz JQLCIQPFJFLMDP-JTQLQIEISA-N -2 3 265.309 1.883 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767227 523093093 /nfs/dbraw/zinc/09/30/93/523093093.db2.gz KQJRPSDDTBTUIE-CIUDSAMLSA-N -2 3 285.369 1.573 10 0 CDAEHL Cc1ccccc1Cn1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591785 525206732 /nfs/dbraw/zinc/20/67/32/525206732.db2.gz PXAVMJFGSSTJRO-UHFFFAOYSA-N -2 3 279.321 1.105 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1cc(C(=O)[O-])cc(Cl)n1 ZINC000061592258 527021374 /nfs/dbraw/zinc/02/13/74/527021374.db2.gz NPGAFCOVUQGGMC-UHFFFAOYSA-N -2 3 286.700 1.006 10 0 CDAEHL CC(C)[C@@H](CO)O[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911815176 629508302 /nfs/dbraw/zinc/50/83/02/629508302.db2.gz UZBHDAOBIUHOMD-HTAVTVPLSA-N -2 3 287.356 1.332 10 0 CDAEHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cccc(C(F)F)c1F ZINC001434043497 960923161 /nfs/dbraw/zinc/92/31/61/960923161.db2.gz RSCZFPRKEZVRMM-UHFFFAOYSA-N -2 3 288.185 1.150 10 0 CDAEHL Cc1nc(C=Cc2ncc[nH]2)[n-]c(=O)c1CC(=O)[O-] ZINC001340934134 963198377 /nfs/dbraw/zinc/19/83/77/963198377.db2.gz SXRMKFSEWRRRKX-IHWYPQMZSA-N -2 3 260.253 1.011 10 0 CDAEHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1C ZINC000086072704 179225198 /nfs/dbraw/zinc/22/51/98/179225198.db2.gz WIWVRQNHALXDRS-IWSPIJDZSA-N -2 3 287.337 1.691 10 0 CDAEHL C[C@H]1CCCN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])C1 ZINC000085203619 357198063 /nfs/dbraw/zinc/19/80/63/357198063.db2.gz CANUINPHTDBCEI-VIFPVBQESA-N -2 3 288.344 1.920 10 0 CDAEHL C[C@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000414344833 241160218 /nfs/dbraw/zinc/16/02/18/241160218.db2.gz RVZJGUWKZGNMHO-LURJTMIESA-N -2 3 281.330 1.473 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000331261401 376816833 /nfs/dbraw/zinc/81/68/33/376816833.db2.gz LGYOVVMHOVSBKK-UHFFFAOYSA-N -2 3 277.317 1.698 10 0 CDAEHL O=C([O-])[C@@H](Cc1ccncc1)[N-]c1nc(C2CCC2)no1 ZINC000656091704 413015944 /nfs/dbraw/zinc/01/59/44/413015944.db2.gz HSFTZWIHLNCGFE-LLVKDONJSA-N -2 3 288.307 1.840 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccco2)o1 ZINC000038059307 174069138 /nfs/dbraw/zinc/06/91/38/174069138.db2.gz SJYZHAKSYOZFON-UHFFFAOYSA-N -2 3 285.277 1.092 10 0 CDAEHL CC[C@@H](C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483681 174286767 /nfs/dbraw/zinc/28/67/67/174286767.db2.gz VDEQUFPTURDOFQ-HQJQHLMTSA-N -2 3 294.307 1.395 10 0 CDAEHL Cc1nc([C@H]2COc3ccccc32)[n-]c(=O)c1C(=O)[O-] ZINC000070392271 175907494 /nfs/dbraw/zinc/90/74/94/175907494.db2.gz XIVNRVIBWQKLTN-VIFPVBQESA-N -2 3 272.260 1.301 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000063153623 520058531 /nfs/dbraw/zinc/05/85/31/520058531.db2.gz KGUVTURSZWCRQY-UHFFFAOYSA-N -2 3 273.310 1.163 10 0 CDAEHL CC[C@@H]1CCCC[C@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592085 523230260 /nfs/dbraw/zinc/23/02/60/523230260.db2.gz UBOUOAWVAVRSHZ-RKDXNWHRSA-N -2 3 285.369 1.889 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC000902988649 625732494 /nfs/dbraw/zinc/73/24/94/625732494.db2.gz SNUAUSKPWRZJJM-QMMMGPOBSA-N -2 3 271.294 1.222 10 0 CDAEHL O=Cc1ccc(-c2ccc(C(=O)Nc3nnn[n-]3)c([O-])c2)o1 ZINC001634297291 1166486912 /nfs/dbraw/zinc/48/69/12/1166486912.db2.gz QFVHTKSGUCMBOM-UHFFFAOYSA-N -2 3 299.246 1.230 10 0 CDAEHL O=Cc1ccc(-c2ccc(C(=O)Nc3nn[n-]n3)c([O-])c2)o1 ZINC001634297291 1166486915 /nfs/dbraw/zinc/48/69/15/1166486915.db2.gz QFVHTKSGUCMBOM-UHFFFAOYSA-N -2 3 299.246 1.230 10 0 CDAEHL CC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686441 736365155 /nfs/dbraw/zinc/36/51/55/736365155.db2.gz LCDPFUATVJIJNZ-SECBINFHSA-N -2 3 270.260 1.194 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCCC3)o1 ZINC000693567106 896757768 /nfs/dbraw/zinc/75/77/68/896757768.db2.gz HEHMAMHLFLEFES-RNCFNFMXSA-N -2 3 299.348 1.836 10 0 CDAEHL CN(C(=O)c1cc([O-])ccc1Cl)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000703042928 922641766 /nfs/dbraw/zinc/64/17/66/922641766.db2.gz PCEKDQGNIFHVHN-OCAPTIKFSA-N -2 3 283.711 1.981 10 0 CDAEHL CCOc1nc([N-]C(=O)c2ncoc2C(F)(F)F)n[n-]1 ZINC001364508047 954708979 /nfs/dbraw/zinc/70/89/79/954708979.db2.gz SLXCLIBSZLIOME-UHFFFAOYSA-N -2 3 291.189 1.463 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000063153634 357507844 /nfs/dbraw/zinc/50/78/44/357507844.db2.gz XCKVMEGSPHLVNZ-UHFFFAOYSA-N -2 3 287.337 1.092 10 0 CDAEHL CCCc1nc(=NC(=O)NCc2ncccc2[O-])s[n-]1 ZINC000351005782 361572111 /nfs/dbraw/zinc/57/21/11/361572111.db2.gz PNVVRSQRAWHQHN-UHFFFAOYSA-N -2 3 293.352 1.335 10 0 CDAEHL COc1nc([N-]C(=O)c2coc(C(F)(F)F)n2)n[n-]1 ZINC000630047605 364480138 /nfs/dbraw/zinc/48/01/38/364480138.db2.gz DFGXPRWVBBSGMO-UHFFFAOYSA-N -2 3 277.162 1.072 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])C1CC1 ZINC000567734686 371126898 /nfs/dbraw/zinc/12/68/98/371126898.db2.gz UIVIIHDCKDLARR-GFCCVEGCSA-N -2 3 285.365 1.867 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000274883423 371196086 /nfs/dbraw/zinc/19/60/86/371196086.db2.gz DKALEAUEJRVKLE-ZETCQYMHSA-N -2 3 291.300 1.301 10 0 CDAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000164887024 292854381 /nfs/dbraw/zinc/85/43/81/292854381.db2.gz YVIIGTRAGLIVTN-GZMMTYOYSA-N -2 3 289.378 1.670 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])o1 ZINC000574274515 392558034 /nfs/dbraw/zinc/55/80/34/392558034.db2.gz IISKZWOVPJVMJI-SSDOTTSWSA-N -2 3 261.299 1.120 10 0 CDAEHL CCC(C)(C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021026846 171291103 /nfs/dbraw/zinc/29/11/03/171291103.db2.gz GOLDZTFZXSMZHD-UHFFFAOYSA-N -2 3 291.394 1.842 10 0 CDAEHL CSCC[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000021968491 171343997 /nfs/dbraw/zinc/34/39/97/171343997.db2.gz NQJNDGQNHWGUPN-JTQLQIEISA-N -2 3 269.322 1.328 10 0 CDAEHL COC(=O)c1nc(NC(=O)c2cc(Cl)ccc2[O-])n[n-]1 ZINC000044910148 175275335 /nfs/dbraw/zinc/27/53/35/175275335.db2.gz WQNXAQVGQXOHMT-UHFFFAOYSA-N -2 3 296.670 1.203 10 0 CDAEHL COC(=O)c1nnc(NC(=O)c2cc(Cl)ccc2[O-])[n-]1 ZINC000044910148 175275336 /nfs/dbraw/zinc/27/53/36/175275336.db2.gz WQNXAQVGQXOHMT-UHFFFAOYSA-N -2 3 296.670 1.203 10 0 CDAEHL COC(=O)c1n[n-]c(NC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000044910148 175275337 /nfs/dbraw/zinc/27/53/37/175275337.db2.gz WQNXAQVGQXOHMT-UHFFFAOYSA-N -2 3 296.670 1.203 10 0 CDAEHL C[C@@H](NCc1ccc([O-])c(Cl)c1)c1nn[n-]n1 ZINC000044926876 175277699 /nfs/dbraw/zinc/27/76/99/175277699.db2.gz RBRUVYGPOMCPRX-ZCFIWIBFSA-N -2 3 253.693 1.410 10 0 CDAEHL C[C@@H](NCc1ccc([O-])c(Cl)c1)c1nnn[n-]1 ZINC000044926876 175277700 /nfs/dbraw/zinc/27/77/00/175277700.db2.gz RBRUVYGPOMCPRX-ZCFIWIBFSA-N -2 3 253.693 1.410 10 0 CDAEHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000563076135 293265294 /nfs/dbraw/zinc/26/52/94/293265294.db2.gz JZBRYNAOAVNZGY-MWLCHTKSSA-N -2 3 299.348 1.612 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)o1 ZINC000578241183 317500599 /nfs/dbraw/zinc/50/05/99/317500599.db2.gz WOTKLUPJBDNLGU-ONGXEEELSA-N -2 3 289.353 1.612 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1c([O-])cc(F)cc1F ZINC000684351000 482768184 /nfs/dbraw/zinc/76/81/84/482768184.db2.gz MPZLIVVRQKJPJO-UHFFFAOYSA-N -2 3 280.230 1.701 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccccc1C(=O)[O-] ZINC000061593820 523096975 /nfs/dbraw/zinc/09/69/75/523096975.db2.gz MFDQMIGHGLDJDD-UHFFFAOYSA-N -2 3 265.294 1.441 10 0 CDAEHL CC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000054468310 523885209 /nfs/dbraw/zinc/88/52/09/523885209.db2.gz DSFVMAZBIYCQLS-ZETCQYMHSA-N -2 3 261.299 1.302 10 0 CDAEHL O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1c1nnn[n-]1 ZINC000720636758 741863269 /nfs/dbraw/zinc/86/32/69/741863269.db2.gz VAIIUVXLHKTAAE-SECBINFHSA-N -2 3 293.714 1.536 10 0 CDAEHL O=C(c1cc(Cl)ccc1[O-])N1CCC[C@@H]1c1nn[n-]n1 ZINC000720636758 741863270 /nfs/dbraw/zinc/86/32/70/741863270.db2.gz VAIIUVXLHKTAAE-SECBINFHSA-N -2 3 293.714 1.536 10 0 CDAEHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)C(F)F)cc1 ZINC000036908959 741006901 /nfs/dbraw/zinc/00/69/01/741006901.db2.gz QAOULVBDQWWNAS-UHFFFAOYSA-N -2 3 279.264 1.069 10 0 CDAEHL COc1ccc(Br)cc1-c1nc([O-])cc(=O)[n-]1 ZINC000082587166 178124573 /nfs/dbraw/zinc/12/45/73/178124573.db2.gz QFWZFWXYPVTOLH-UHFFFAOYSA-N -2 3 297.108 1.914 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000569443740 358471293 /nfs/dbraw/zinc/47/12/93/358471293.db2.gz UEFASXXTILKULL-NKWVEPMBSA-N -2 3 292.744 1.123 10 0 CDAEHL Cc1nc(N)[n-]c(=O)c1Cc1ccc(CCC(=O)[O-])cc1 ZINC000616582136 358760030 /nfs/dbraw/zinc/76/00/30/358760030.db2.gz SYBPCFIYOGHZFK-UHFFFAOYSA-N -2 3 287.319 1.511 10 0 CDAEHL CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000263117327 359232241 /nfs/dbraw/zinc/23/22/41/359232241.db2.gz SABLOXAYVVAMQW-WDEREUQCSA-N -2 3 293.319 1.405 10 0 CDAEHL Cc1ccc([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c(C(=O)[O-])c1 ZINC000514768425 360373386 /nfs/dbraw/zinc/37/33/86/360373386.db2.gz OMUHXZAFGJETIC-CABZTGNLSA-N -2 3 299.348 1.612 10 0 CDAEHL CO[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000276322289 193287063 /nfs/dbraw/zinc/28/70/63/193287063.db2.gz OYPAWHZSIFEQBO-NKWVEPMBSA-N -2 3 293.366 1.148 10 0 CDAEHL Cc1cc(C)cc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])c1 ZINC000103219890 373592031 /nfs/dbraw/zinc/59/20/31/373592031.db2.gz CYEJULOSUMIQTQ-UHFFFAOYSA-N -4 3 295.168 1.354 10 0 CDAEHL Cc1n[n-]cc1C(=O)N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000336584674 151651930 /nfs/dbraw/zinc/65/19/30/151651930.db2.gz ZYBWIGXWGAOUIX-UHFFFAOYSA-N -2 3 259.191 1.134 10 0 CDAEHL CCCOc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1 ZINC000005114708 170067146 /nfs/dbraw/zinc/06/71/46/170067146.db2.gz NHBDYNVEEOSTIH-UHFFFAOYSA-N -2 3 298.306 1.406 10 0 CDAEHL CCCOc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1 ZINC000005114708 170067147 /nfs/dbraw/zinc/06/71/47/170067147.db2.gz NHBDYNVEEOSTIH-UHFFFAOYSA-N -2 3 298.306 1.406 10 0 CDAEHL CSCC[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000005662251 170125147 /nfs/dbraw/zinc/12/51/47/170125147.db2.gz IXHPTNYDCBKMMN-SECBINFHSA-N -2 3 269.322 1.328 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000656723570 413607854 /nfs/dbraw/zinc/60/78/54/413607854.db2.gz LTYVCHNNLRJCQB-UTLUCORTSA-N -2 3 299.348 1.692 10 0 CDAEHL O=C([O-])c1c[n-]n2c1nc([O-])c(C1CCCC1)c2=O ZINC000071474404 176186051 /nfs/dbraw/zinc/18/60/51/176186051.db2.gz RUZYPKMGJDVROQ-UHFFFAOYSA-N -3 3 263.253 1.496 10 0 CDAEHL O=C([O-])c1c[n-]n2c1nc(O)c(C1CCCC1)c2=O ZINC000071474404 176186052 /nfs/dbraw/zinc/18/60/52/176186052.db2.gz RUZYPKMGJDVROQ-UHFFFAOYSA-N -2 3 263.253 1.496 10 0 CDAEHL CC(C)CN(CC(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000062742017 519711319 /nfs/dbraw/zinc/71/13/19/519711319.db2.gz AGFZAKQDFGOHAJ-UHFFFAOYSA-N -2 3 251.282 1.575 10 0 CDAEHL COc1cccc(C(=O)N(CC(=O)[O-])CC(C)C)c1[O-] ZINC000062742054 525790220 /nfs/dbraw/zinc/79/02/20/525790220.db2.gz RFOPNEMNAXTKRO-UHFFFAOYSA-N -2 3 281.308 1.584 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCOc1cccc(Cl)c1 ZINC000069055012 527614865 /nfs/dbraw/zinc/61/48/65/527614865.db2.gz IEJQYEJUTZVCSJ-UHFFFAOYSA-N -2 3 273.672 1.241 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)o1 ZINC000903043384 625794181 /nfs/dbraw/zinc/79/41/81/625794181.db2.gz XROFUTNHGRCQLB-UHFFFAOYSA-N -2 3 273.310 1.120 10 0 CDAEHL O=C([O-])C1(CC(=O)Nc2cccc([O-])c2F)CCOCC1 ZINC000911431224 629280924 /nfs/dbraw/zinc/28/09/24/629280924.db2.gz NBFGZBYBHADPFY-UHFFFAOYSA-N -2 3 297.282 1.741 10 0 CDAEHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000087672932 743530028 /nfs/dbraw/zinc/53/00/28/743530028.db2.gz RPEJSRWHGFVJHL-RNFRBKRXSA-N -2 3 273.301 1.408 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CCCS1 ZINC000871994511 746397259 /nfs/dbraw/zinc/39/72/59/746397259.db2.gz WLYXQGHALQXOIO-SSDOTTSWSA-N -2 3 291.350 1.152 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000871995157 748330457 /nfs/dbraw/zinc/33/04/57/748330457.db2.gz LONBXSXILLQFPF-KXUCPTDWSA-N -2 3 299.348 1.692 10 0 CDAEHL O=C([O-])C1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000693453303 937245627 /nfs/dbraw/zinc/24/56/27/937245627.db2.gz PVKPLTQGJHBAEZ-UHFFFAOYSA-N -2 3 295.769 1.543 10 0 CDAEHL O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1c([O-])cccc1F ZINC001144527468 931884128 /nfs/dbraw/zinc/88/41/28/931884128.db2.gz IYQQCHINWNIKHS-UHFFFAOYSA-N -2 3 295.295 1.246 10 0 CDAEHL O=C(NCCc1c(F)cc([O-])cc1F)c1cncc([O-])c1 ZINC001362974055 971776618 /nfs/dbraw/zinc/77/66/18/971776618.db2.gz SCBYTAMZFDMGEI-UHFFFAOYSA-N -2 3 294.257 1.744 10 0 CDAEHL O=C(NCCc1c(F)cc([O-])cc1F)c1cnncc1[O-] ZINC001456191563 968891670 /nfs/dbraw/zinc/89/16/70/968891670.db2.gz DILPLUOVCQUOSE-UHFFFAOYSA-N -2 3 295.245 1.139 10 0 CDAEHL CCCS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000114833538 342429296 /nfs/dbraw/zinc/42/92/96/342429296.db2.gz YSYRVXMOXLWILN-UHFFFAOYSA-N -2 3 279.264 1.815 10 0 CDAEHL C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000564925911 293458173 /nfs/dbraw/zinc/45/81/73/293458173.db2.gz DLTHHHCUONZVGN-TYRPZCRBSA-N -2 3 273.310 1.286 10 0 CDAEHL CC(C)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000634654046 356641361 /nfs/dbraw/zinc/64/13/61/356641361.db2.gz UCRHUAXDZHPFQQ-UHFFFAOYSA-N -2 3 281.330 1.473 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c1C(=O)[O-] ZINC000565056440 370341787 /nfs/dbraw/zinc/34/17/87/370341787.db2.gz WTBNHIZXXXBQDH-ONGXEEELSA-N -2 3 299.348 1.612 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])o1 ZINC000573854460 392450136 /nfs/dbraw/zinc/45/01/36/392450136.db2.gz SJANVYVVMXEHDU-MRVPVSSYSA-N -2 3 275.326 1.510 10 0 CDAEHL Cc1cnc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c([O-])c1 ZINC000494890529 393124225 /nfs/dbraw/zinc/12/42/25/393124225.db2.gz FZAKJBKIQACNHJ-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL Cc1cnc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c([O-])c1 ZINC000494890529 393124231 /nfs/dbraw/zinc/12/42/31/393124231.db2.gz FZAKJBKIQACNHJ-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL Cc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000048961654 424337889 /nfs/dbraw/zinc/33/78/89/424337889.db2.gz ODBYNPIFDJDVLJ-UHFFFAOYSA-N -2 3 267.310 1.235 10 0 CDAEHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@@H]1CC=CCC1 ZINC000530151602 271117164 /nfs/dbraw/zinc/11/71/64/271117164.db2.gz NGFUSTBBECVXAR-SECBINFHSA-N -2 3 299.352 1.133 10 0 CDAEHL COc1cc(=NC(=O)c2ccc([O-])c(Cl)c2)[n-]n1C ZINC000381710717 323630681 /nfs/dbraw/zinc/63/06/81/323630681.db2.gz FUCYHFJIOJLUMQ-UHFFFAOYSA-N -2 3 281.699 1.462 10 0 CDAEHL CC1CCN(S(=O)(=O)[N-]c2c([O-])cccc2F)CC1 ZINC000673473785 482748950 /nfs/dbraw/zinc/74/89/50/482748950.db2.gz KABGRUKWKGLRLT-UHFFFAOYSA-N -2 3 288.344 1.920 10 0 CDAEHL COC[C@@H](C)CNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000045649123 522195413 /nfs/dbraw/zinc/19/54/13/522195413.db2.gz OPKLPMXQLDKFDQ-QMMMGPOBSA-N -2 3 282.296 1.494 10 0 CDAEHL Cc1ccc(Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1C ZINC000061681815 524696087 /nfs/dbraw/zinc/69/60/87/524696087.db2.gz OHQZRAJGBCMRTP-UHFFFAOYSA-N -2 3 258.277 1.676 10 0 CDAEHL O=C([O-])c1ccc(Nc2cccc3c(=O)[n-][nH]c(=O)c23)o1 ZINC000050908064 526380913 /nfs/dbraw/zinc/38/09/13/526380913.db2.gz MTVKSFCJGXYAMX-UHFFFAOYSA-N -2 3 287.231 1.251 10 0 CDAEHL O=C([O-])c1ccc(Nc2cccc3c(=O)[nH][n-]c(=O)c23)o1 ZINC000050908064 526380916 /nfs/dbraw/zinc/38/09/16/526380916.db2.gz MTVKSFCJGXYAMX-UHFFFAOYSA-N -2 3 287.231 1.251 10 0 CDAEHL COc1nc([N-]C(=O)c2nc(Cl)cs2)n[n-]1 ZINC000790009674 750112515 /nfs/dbraw/zinc/11/25/15/750112515.db2.gz LIUCQYQKVWHDMX-UHFFFAOYSA-N -2 3 259.678 1.176 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1c([O-])cccc1Cl ZINC001362057293 970828156 /nfs/dbraw/zinc/82/81/56/970828156.db2.gz RHWRBYVWOUGHKC-QMMMGPOBSA-N -2 3 295.726 1.287 10 0 CDAEHL O=C(NCc1nc(=O)o[n-]1)c1cc([O-])c2ccccc2c1 ZINC001324185449 961221450 /nfs/dbraw/zinc/22/14/50/961221450.db2.gz FCHIHQFPECDDFI-UHFFFAOYSA-N -2 3 285.259 1.152 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])o1 ZINC000565056258 293510201 /nfs/dbraw/zinc/51/02/01/293510201.db2.gz WFVBZBPUGARJDI-JOYOIKCWSA-N -2 3 287.337 1.510 10 0 CDAEHL Nc1cc([O-])c(I)cc1CC(=O)[O-] ZINC000575718862 374017345 /nfs/dbraw/zinc/01/73/45/374017345.db2.gz INDFBHSBSZFJGF-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL CC(C)(C)OC1CC(CC(=O)N=c2ccc([O-])n[n-]2)C1 ZINC000489792868 253011924 /nfs/dbraw/zinc/01/19/24/253011924.db2.gz SKBVGLMNSGAQJD-UHFFFAOYSA-N -2 3 279.340 1.526 10 0 CDAEHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000656161763 413064196 /nfs/dbraw/zinc/06/41/96/413064196.db2.gz HYJCKFSTDSPHMG-QMMMGPOBSA-N -2 3 297.254 1.056 10 0 CDAEHL O=C([O-])c1cc(NC(=O)[C@H]2CCCCN2)cc(C(=O)[O-])c1 ZINC000040483667 174287076 /nfs/dbraw/zinc/28/70/76/174287076.db2.gz UXWOYJCAPCEKSQ-LLVKDONJSA-N -2 3 292.291 1.164 10 0 CDAEHL CCN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC000040557680 174332130 /nfs/dbraw/zinc/33/21/30/174332130.db2.gz UFSIDUFNHMFGRE-UHFFFAOYSA-N -2 3 293.323 1.260 10 0 CDAEHL Cc1cccc(Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000043561219 175066322 /nfs/dbraw/zinc/06/63/22/175066322.db2.gz SEDAQPFOTJOYQC-UHFFFAOYSA-N -2 3 286.331 1.995 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C)cc1[O-] ZINC000044612359 175217289 /nfs/dbraw/zinc/21/72/89/175217289.db2.gz BRBAGXCCAQGDDC-SNVBAGLBSA-N -2 3 251.282 1.636 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000274912807 293065008 /nfs/dbraw/zinc/06/50/08/293065008.db2.gz LCQUUVDDYNSFRM-VIFPVBQESA-N -2 3 287.337 1.470 10 0 CDAEHL CC(C)C[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591742 519329034 /nfs/dbraw/zinc/32/90/34/519329034.db2.gz HAUZSSNQFWETES-ZETCQYMHSA-N -2 3 259.331 1.355 10 0 CDAEHL C[C@H](CCC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909453698 619327345 /nfs/dbraw/zinc/32/73/45/619327345.db2.gz PGIBGYQWMWXNSB-MRVPVSSYSA-N -2 3 269.272 1.443 10 0 CDAEHL O=C(c1ccc([O-])c(F)c1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221274 621373872 /nfs/dbraw/zinc/37/38/72/621373872.db2.gz LXWUIIIMIBPRKM-VIFPVBQESA-N -2 3 291.282 1.590 10 0 CDAEHL CC(=O)c1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1[O-] ZINC000909990516 628801035 /nfs/dbraw/zinc/80/10/35/628801035.db2.gz FAICJUKJTUEHSZ-PHIMTYICSA-N -2 3 291.303 1.530 10 0 CDAEHL O=C(CC1CCC(C(=O)[O-])CC1)[N-]OC[C@H]1CCOC1 ZINC000911802839 629532329 /nfs/dbraw/zinc/53/23/29/629532329.db2.gz LHSWKEZXRLQFIO-CXQJBGSLSA-N -2 3 285.340 1.352 10 0 CDAEHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000310656080 758794395 /nfs/dbraw/zinc/79/43/95/758794395.db2.gz BTPWLTONZNYXAS-UPHRSURJSA-N -2 3 293.703 1.398 10 0 CDAEHL CC(C)CCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124650253 187147001 /nfs/dbraw/zinc/14/70/01/187147001.db2.gz TZPPWNZTMCMZDF-UHFFFAOYSA-N -2 3 287.337 1.878 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@H]2CC2(F)F)o1 ZINC000622039531 342226290 /nfs/dbraw/zinc/22/62/90/342226290.db2.gz ILYIIQDTACZKHI-LURJTMIESA-N -2 3 295.263 1.301 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000274878382 356124886 /nfs/dbraw/zinc/12/48/86/356124886.db2.gz CCRVAEAIELYULX-ZETCQYMHSA-N -2 3 291.300 1.301 10 0 CDAEHL O=c1[nH]cc(S(=O)(=O)[N-]c2cc(F)ccc2[O-])s1 ZINC000436478065 361516086 /nfs/dbraw/zinc/51/60/86/361516086.db2.gz OFMKPPUVEBFIII-UHFFFAOYSA-N -2 3 290.297 1.494 10 0 CDAEHL Cc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)c([O-])c1 ZINC000630340785 368743476 /nfs/dbraw/zinc/74/34/76/368743476.db2.gz OKVOIWBYIYFTJL-HNNXBMFYSA-N -2 3 293.319 1.312 10 0 CDAEHL CCS(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-] ZINC000548205548 369785252 /nfs/dbraw/zinc/78/52/52/369785252.db2.gz CVYOHVMYLCTMFU-UHFFFAOYSA-N -2 3 289.309 1.164 10 0 CDAEHL O=C([O-])c1cccc([N-]S(=O)(=O)CC2CCC2)c1O ZINC000274868485 371196039 /nfs/dbraw/zinc/19/60/39/371196039.db2.gz AFAAEBFWQUSQGG-UHFFFAOYSA-N -2 3 285.321 1.632 10 0 CDAEHL C[C@@]1(C(=O)N=c2ccc([O-])n[n-]2)CCCc2ccccc21 ZINC000415461769 391151717 /nfs/dbraw/zinc/15/17/17/391151717.db2.gz DWXQQWKGKAVBGE-MRXNPFEDSA-N -2 3 283.331 1.837 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000656162064 413064565 /nfs/dbraw/zinc/06/45/65/413064565.db2.gz AODVUNFLGAKLGF-SECBINFHSA-N -2 3 293.291 1.225 10 0 CDAEHL CC[C@@H](Nc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)[O-] ZINC000075218703 176674018 /nfs/dbraw/zinc/67/40/18/176674018.db2.gz RWYARXMMXIIZBU-SCSAIBSYSA-N -2 3 265.191 1.064 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3ccncc3)on2)n[n-]1 ZINC000182984987 278085617 /nfs/dbraw/zinc/08/56/17/278085617.db2.gz ZSFXLRFGCQBMML-UHFFFAOYSA-N -2 3 286.251 1.116 10 0 CDAEHL CCOC([O-])=NC(=O)CSc1ccc(C(=O)[O-])o1 ZINC000069334276 520973048 /nfs/dbraw/zinc/97/30/48/520973048.db2.gz DSCHOLYAEIZGQQ-UHFFFAOYSA-N -2 3 273.266 1.343 10 0 CDAEHL CCOC(=O)[N-]C(=O)CSc1ccc(C(=O)[O-])o1 ZINC000069334276 520973053 /nfs/dbraw/zinc/97/30/53/520973053.db2.gz DSCHOLYAEIZGQQ-UHFFFAOYSA-N -2 3 273.266 1.343 10 0 CDAEHL CCN(C(=O)c1cc(OC)ccc1[O-])[C@H](C)CC(=O)[O-] ZINC000061179779 520069840 /nfs/dbraw/zinc/06/98/40/520069840.db2.gz CHJIZAFHLYHOHT-SECBINFHSA-N -2 3 281.308 1.726 10 0 CDAEHL CSc1nnc(NC(=O)c2c([O-])cc(F)cc2F)[n-]1 ZINC000589691574 342511954 /nfs/dbraw/zinc/51/19/54/342511954.db2.gz QFEAZEIRFBPYGI-UHFFFAOYSA-N -2 3 286.263 1.763 10 0 CDAEHL CSc1n[n-]c(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000589691574 342511955 /nfs/dbraw/zinc/51/19/55/342511955.db2.gz QFEAZEIRFBPYGI-UHFFFAOYSA-N -2 3 286.263 1.763 10 0 CDAEHL CSc1nc(NC(=O)c2c([O-])cc(F)cc2F)n[n-]1 ZINC000589691574 342511956 /nfs/dbraw/zinc/51/19/56/342511956.db2.gz QFEAZEIRFBPYGI-UHFFFAOYSA-N -2 3 286.263 1.763 10 0 CDAEHL CCc1cc(=O)[n-]c(CN2C3CCC2(C(=O)[O-])CC3)n1 ZINC000634696755 357271795 /nfs/dbraw/zinc/27/17/95/357271795.db2.gz LPWKPLQHBWRNTC-UHFFFAOYSA-N -2 3 277.324 1.326 10 0 CDAEHL Cc1cnn(C)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000350891691 361386170 /nfs/dbraw/zinc/38/61/70/361386170.db2.gz BDSKVOPKPDLPOM-UHFFFAOYSA-N -2 3 285.300 1.374 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000514603191 364753150 /nfs/dbraw/zinc/75/31/50/364753150.db2.gz KPUVGVLMLURDSL-JOYOIKCWSA-N -2 3 293.319 1.584 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c1C(=O)[O-] ZINC000565056437 370341330 /nfs/dbraw/zinc/34/13/30/370341330.db2.gz WTBNHIZXXXBQDH-KOLCDFICSA-N -2 3 299.348 1.612 10 0 CDAEHL O=S(=O)([N-][C@@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000632338302 377310240 /nfs/dbraw/zinc/31/02/40/377310240.db2.gz CWMBWMOJNKQOBV-SNVBAGLBSA-N -2 3 295.282 1.997 10 0 CDAEHL COc1nc([N-]C(=O)c2occc2Br)n[n-]1 ZINC000179360880 148110520 /nfs/dbraw/zinc/11/05/20/148110520.db2.gz HPKHMVMXMOMKRW-UHFFFAOYSA-N -2 3 287.073 1.421 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CSC[C@@H]2C(=O)[O-])c1 ZINC000037454792 173220087 /nfs/dbraw/zinc/22/00/87/173220087.db2.gz AKKJYXGCSUMCOC-SECBINFHSA-N -2 3 283.305 1.001 10 0 CDAEHL COC(=O)[N-]C(=O)CSc1nc(C)c(C(=O)[O-])s1 ZINC000071302286 176114420 /nfs/dbraw/zinc/11/44/20/176114420.db2.gz GOWDBJFQMWQNBQ-UHFFFAOYSA-N -2 3 290.322 1.124 10 0 CDAEHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134715645 279788234 /nfs/dbraw/zinc/78/82/34/279788234.db2.gz VFWVDOUTYWXTAH-SSDOTTSWSA-N -2 3 292.382 1.412 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000147395849 289067538 /nfs/dbraw/zinc/06/75/38/289067538.db2.gz VCARSNOUPGWCCO-SECBINFHSA-N -2 3 289.328 1.605 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1ncccc1C(=O)[O-] ZINC000061593861 519919131 /nfs/dbraw/zinc/91/91/31/519919131.db2.gz LEDZGHLAMUYBAW-UHFFFAOYSA-N -2 3 280.309 1.397 10 0 CDAEHL CC1(n2c(=O)[n-]nc2SCC(=O)[O-])CCCCC1 ZINC000061591993 520787449 /nfs/dbraw/zinc/78/74/49/520787449.db2.gz SNGVOYQDOKTUGF-UHFFFAOYSA-N -2 3 271.342 1.427 10 0 CDAEHL CC1CCC(n2c(=O)[n-]nc2SCC(=O)[O-])CC1 ZINC000061592134 520962504 /nfs/dbraw/zinc/96/25/04/520962504.db2.gz RRKLVPGWMRTTHM-UHFFFAOYSA-N -2 3 271.342 1.499 10 0 CDAEHL O=C([O-])CON=C([O-])Nc1ccccc1C(F)(F)F ZINC000069073345 527614944 /nfs/dbraw/zinc/61/49/44/527614944.db2.gz JINMSUPVLFTMNS-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Nc1ccccc1C(F)(F)F ZINC000069073345 527614946 /nfs/dbraw/zinc/61/49/46/527614946.db2.gz JINMSUPVLFTMNS-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL CCO[N-]C(=O)C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000844779862 774057437 /nfs/dbraw/zinc/05/74/37/774057437.db2.gz MKQOAYZGWSVXML-UHFFFAOYSA-N -2 3 290.241 1.101 10 0 CDAEHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)C(F)F)CC1 ZINC000253123135 774828542 /nfs/dbraw/zinc/82/85/42/774828542.db2.gz JSRICXSHBRFMLH-LJGSYFOKSA-N -2 3 271.285 1.019 10 0 CDAEHL CC(C)(CC[N-]S(=O)(=O)C(F)F)CCC(=O)[O-] ZINC000087672803 775418218 /nfs/dbraw/zinc/41/82/18/775418218.db2.gz IWYSVEISZLEYQJ-UHFFFAOYSA-N -2 3 273.301 1.410 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000871995045 776408764 /nfs/dbraw/zinc/40/87/64/776408764.db2.gz HTQQOQMBCJVOMV-IWSPIJDZSA-N -2 3 285.321 1.445 10 0 CDAEHL CCOc1nc([N-]C(=O)c2c(C)noc2C(F)F)n[n-]1 ZINC001362798381 971628384 /nfs/dbraw/zinc/62/83/84/971628384.db2.gz YVPSPLHLSUZSSI-UHFFFAOYSA-N -2 3 287.226 1.690 10 0 CDAEHL O=C(NCCc1c(F)cc([O-])cc1F)c1ccc([O-])cn1 ZINC001420038463 962405415 /nfs/dbraw/zinc/40/54/15/962405415.db2.gz CKMLAURXCCTRKS-UHFFFAOYSA-N -2 3 294.257 1.744 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccnc(Cl)c1F ZINC001470583439 970348594 /nfs/dbraw/zinc/34/85/94/970348594.db2.gz ZBMRVUXHBXIAIE-UHFFFAOYSA-N -2 3 298.661 1.005 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2CC2)c(F)c1 ZINC000086496994 179303307 /nfs/dbraw/zinc/30/33/07/179303307.db2.gz ZOTBVFMMAILAKC-UHFFFAOYSA-N -2 3 273.285 1.676 10 0 CDAEHL COc1nnc(NC(=O)c2ccc(C(C)C)cc2[O-])[n-]1 ZINC000436952174 361618745 /nfs/dbraw/zinc/61/87/45/361618745.db2.gz VIYMBJVWFWVPPG-UHFFFAOYSA-N -2 3 276.296 1.895 10 0 CDAEHL COc1nc(NC(=O)c2ccc(C(C)C)cc2[O-])n[n-]1 ZINC000436952174 361618751 /nfs/dbraw/zinc/61/87/51/361618751.db2.gz VIYMBJVWFWVPPG-UHFFFAOYSA-N -2 3 276.296 1.895 10 0 CDAEHL CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000630252383 368596542 /nfs/dbraw/zinc/59/65/42/368596542.db2.gz ONKMMQZMWIHLRT-CQSZACIVSA-N -2 3 279.292 1.016 10 0 CDAEHL Cc1noc(=NC([O-])=CSc2nc(C(C)(C)C)c[nH]2)[n-]1 ZINC000631031059 374590784 /nfs/dbraw/zinc/59/07/84/374590784.db2.gz WFRBDGZVUPOXMG-UHFFFAOYSA-N -2 3 295.368 1.551 10 0 CDAEHL CCCc1nc(=NC(=O)Cc2ccc([O-])c(F)c2)s[n-]1 ZINC000448870711 392552105 /nfs/dbraw/zinc/55/21/05/392552105.db2.gz DSDKGIQTIOJVCT-UHFFFAOYSA-N -2 3 295.339 1.938 10 0 CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000021963081 171342980 /nfs/dbraw/zinc/34/29/80/171342980.db2.gz BTEYGZQXOOESPM-VXNVDRBHSA-N -2 3 277.367 1.526 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CSC[C@H]2C(=O)[O-])c1 ZINC000037454793 173220044 /nfs/dbraw/zinc/22/00/44/173220044.db2.gz AKKJYXGCSUMCOC-VIFPVBQESA-N -2 3 283.305 1.001 10 0 CDAEHL Cc1cc(CS(=O)(=O)[N-]c2ccccc2C(=O)[O-])on1 ZINC000548235754 289859478 /nfs/dbraw/zinc/85/94/78/289859478.db2.gz QFBZDGJPBBYMER-UHFFFAOYSA-N -2 3 296.304 1.623 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])o1 ZINC000568276273 294007808 /nfs/dbraw/zinc/00/78/08/294007808.db2.gz AXQDAASGDOXFOZ-VIFPVBQESA-N -2 3 289.353 1.900 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)CC(=O)[O-] ZINC000580996330 324618618 /nfs/dbraw/zinc/61/86/18/324618618.db2.gz CXRAUVKGUMLDNH-SECBINFHSA-N -2 3 291.394 1.836 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1ccc(C(=O)[O-])o1 ZINC000061593713 519918025 /nfs/dbraw/zinc/91/80/25/519918025.db2.gz BRBYKKCMIARUSE-UHFFFAOYSA-N -2 3 283.309 1.736 10 0 CDAEHL C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000052276317 524964061 /nfs/dbraw/zinc/96/40/61/524964061.db2.gz YWLZCWWXOARTII-POYBYMJQSA-N -2 3 275.351 1.062 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCC=CCC2)c1 ZINC000718089142 934764124 /nfs/dbraw/zinc/76/41/24/934764124.db2.gz WHKKVFMBJHMMRH-UHFFFAOYSA-N -2 3 285.321 1.755 10 0 CDAEHL O=C(c1cccc([O-])c1F)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362348777 971178973 /nfs/dbraw/zinc/17/89/73/971178973.db2.gz CKHMYNPVSPLNOC-QMMMGPOBSA-N -2 3 291.286 1.064 10 0 CDAEHL COc1[n-]c([O-])c(C(=O)c2ccccc2)c(=O)c1OC ZINC000038601410 342549833 /nfs/dbraw/zinc/54/98/33/342549833.db2.gz GJHCFRXAXCXOFO-UHFFFAOYSA-N -2 3 275.260 1.741 10 0 CDAEHL O=C([O-])[C@]1(CC(=O)Nc2cc(F)ccc2[O-])CCOC1 ZINC000656480366 413331806 /nfs/dbraw/zinc/33/18/06/413331806.db2.gz NEGLWVKQIKIROK-ZDUSSCGKSA-N -2 3 283.255 1.351 10 0 CDAEHL Cc1nc(C(=O)[N-]c2sccc2C(=O)[O-])no1 ZINC000071382297 176146052 /nfs/dbraw/zinc/14/60/52/176146052.db2.gz JJDNUUHOTKJXQW-UHFFFAOYSA-N -2 3 253.239 1.390 10 0 CDAEHL O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccccc1[O-] ZINC000071649381 176240698 /nfs/dbraw/zinc/24/06/98/176240698.db2.gz RYLRBSDZPFCTNK-UHFFFAOYSA-N -2 3 293.300 1.922 10 0 CDAEHL COc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000234948669 280125824 /nfs/dbraw/zinc/12/58/24/280125824.db2.gz IISSANIKLGUDKD-RNCFNFMXSA-N -2 3 293.319 1.726 10 0 CDAEHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccc(F)c1 ZINC000551910061 290024633 /nfs/dbraw/zinc/02/46/33/290024633.db2.gz HJQWIXGOYXSOGW-LLVKDONJSA-N -2 3 299.279 1.523 10 0 CDAEHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000563076134 293265347 /nfs/dbraw/zinc/26/53/47/293265347.db2.gz JZBRYNAOAVNZGY-KOLCDFICSA-N -2 3 299.348 1.612 10 0 CDAEHL CC1(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)CC1 ZINC000583816011 325246557 /nfs/dbraw/zinc/24/65/57/325246557.db2.gz IKOZAIHWGRSRMN-UHFFFAOYSA-N -2 3 271.294 1.385 10 0 CDAEHL Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000663153315 482465604 /nfs/dbraw/zinc/46/56/04/482465604.db2.gz NULQIJIICYOAMW-GFCCVEGCSA-N -2 3 277.320 1.931 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767146 521615745 /nfs/dbraw/zinc/61/57/45/521615745.db2.gz HHRCYGPYBPLJJE-DTWKUNHWSA-N -2 3 285.369 1.717 10 0 CDAEHL CCCn1c(=O)[n-]nc1SCc1ccnc(C(=O)[O-])c1 ZINC000068765253 521614997 /nfs/dbraw/zinc/61/49/97/521614997.db2.gz ILLGBHMCZBNXSN-UHFFFAOYSA-N -2 3 294.336 1.367 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1nc(C)ccc1C(=O)[O-] ZINC000061608419 521615558 /nfs/dbraw/zinc/61/55/58/521615558.db2.gz BFYQRXCCCDBZOS-UHFFFAOYSA-N -2 3 294.336 1.534 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H](C(=O)[O-])C(C)C ZINC000061593687 521615639 /nfs/dbraw/zinc/61/56/39/521615639.db2.gz RYDKCPGUGVOEBG-ZETCQYMHSA-N -2 3 259.331 1.183 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1Cl ZINC000062796545 527021389 /nfs/dbraw/zinc/02/13/89/527021389.db2.gz QAZGKMPNKDWKFH-UHFFFAOYSA-N -2 3 285.712 1.611 10 0 CDAEHL CSC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000910879131 618565022 /nfs/dbraw/zinc/56/50/22/618565022.db2.gz WQBNKLWPUHOPTG-SECBINFHSA-N -2 3 287.312 1.006 10 0 CDAEHL CCC(CC)([N-]C(=O)C(F)(F)C(F)F)c1nnn[n-]1 ZINC001640154857 1167000186 /nfs/dbraw/zinc/00/01/86/1167000186.db2.gz IOLHDARZYFNQJB-UHFFFAOYSA-N -2 3 283.229 1.232 10 0 CDAEHL CCc1c(C)sc2[n-]c(COCC(=O)[O-])nc(=O)c12 ZINC000041074094 357021028 /nfs/dbraw/zinc/02/10/28/357021028.db2.gz OUMWJNPIBYBDKD-UHFFFAOYSA-N -2 3 282.321 1.457 10 0 CDAEHL O=c1cc(/C=C\c2ccc([O-])c(F)c2)nc2nc[n-]n21 ZINC000436931301 361611392 /nfs/dbraw/zinc/61/13/92/361611392.db2.gz JHSOXRCSKMPYGB-IWQZZHSRSA-N -2 3 272.239 1.433 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000274931475 371197687 /nfs/dbraw/zinc/19/76/87/371197687.db2.gz PDLILSKEWLYGPT-MRVPVSSYSA-N -2 3 273.310 1.161 10 0 CDAEHL Cc1nc(S(=O)(=O)[N-]Cc2ncccc2[O-])sc1C ZINC000530533863 390224462 /nfs/dbraw/zinc/22/44/62/390224462.db2.gz CWGRGLUFQMELCQ-UHFFFAOYSA-N -2 3 299.377 1.339 10 0 CDAEHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000645958377 393433925 /nfs/dbraw/zinc/43/39/25/393433925.db2.gz SELADIDYOYEAHY-VIFPVBQESA-N -2 3 275.326 1.691 10 0 CDAEHL CCN(CC)S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])s1 ZINC000020255246 171109013 /nfs/dbraw/zinc/10/90/13/171109013.db2.gz JYBASNOADSPFFY-UHFFFAOYSA-N -2 3 292.382 1.753 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cnsn2)c([O-])c1 ZINC000037588076 173535065 /nfs/dbraw/zinc/53/50/65/173535065.db2.gz HAYBWNLEAKOAET-UHFFFAOYSA-N -2 3 265.250 1.194 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCc2cccnc2)c([O-])c1 ZINC000040558693 174333267 /nfs/dbraw/zinc/33/32/67/174333267.db2.gz YRZRWZUUFNAPLU-UHFFFAOYSA-N -2 3 287.275 1.807 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000044612344 175217546 /nfs/dbraw/zinc/21/75/46/175217546.db2.gz AZAJBZQNGLWEIY-JTQLQIEISA-N -2 3 267.281 1.336 10 0 CDAEHL COc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000234948330 280126117 /nfs/dbraw/zinc/12/61/17/280126117.db2.gz IISSANIKLGUDKD-NOZJJQNGSA-N -2 3 293.319 1.726 10 0 CDAEHL CCc1ncc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])s1 ZINC000547933431 289820636 /nfs/dbraw/zinc/82/06/36/289820636.db2.gz SGQLMZAZFSRQRO-ZETCQYMHSA-N -2 3 292.382 1.237 10 0 CDAEHL O=C(N=c1ccc(C2CC2)n[n-]1)NCc1ncccc1[O-] ZINC000548382480 289876616 /nfs/dbraw/zinc/87/66/16/289876616.db2.gz HJJAUMOVPPEUPN-UHFFFAOYSA-N -2 3 285.307 1.198 10 0 CDAEHL COCC1(S(=O)(=O)[N-]c2cc(C)ccc2C(=O)[O-])CC1 ZINC000568246731 293997946 /nfs/dbraw/zinc/99/79/46/293997946.db2.gz WMIIYVGBPDGLFM-UHFFFAOYSA-N -2 3 299.348 1.614 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])o1 ZINC000583029093 325093351 /nfs/dbraw/zinc/09/33/51/325093351.db2.gz ZTEGFYZCFWROHC-QMMMGPOBSA-N -2 3 275.326 1.367 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H]1CCC[C@H]1C(=O)[O-] ZINC000062767180 519918861 /nfs/dbraw/zinc/91/88/61/519918861.db2.gz NZFTYKPSHZMVSW-SFYZADRCSA-N -2 3 271.342 1.498 10 0 CDAEHL CC[C@H](C)[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591951 521940974 /nfs/dbraw/zinc/94/09/74/521940974.db2.gz NCKZMNDQHKRIFU-BQBZGAKWSA-N -2 3 259.331 1.355 10 0 CDAEHL C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591857 525647537 /nfs/dbraw/zinc/64/75/37/525647537.db2.gz RTMFDQBHYNHVEA-YIZRAAEISA-N -2 3 285.369 1.745 10 0 CDAEHL C[C@@H](c1ccc(F)cc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591959 526057134 /nfs/dbraw/zinc/05/71/34/526057134.db2.gz BHKGKEHZLRLSNL-ZETCQYMHSA-N -2 3 297.311 1.497 10 0 CDAEHL CCNC(=O)[N-][N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000049152373 785972699 /nfs/dbraw/zinc/97/26/99/785972699.db2.gz NTACJXCDKBZFGF-UHFFFAOYSA-N -2 3 291.760 1.161 10 0 CDAEHL Cc1cnc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)c([O-])c1 ZINC001412299234 932367451 /nfs/dbraw/zinc/36/74/51/932367451.db2.gz NICXWBAZIOMNTP-VIFPVBQESA-N -2 3 288.307 1.154 10 0 CDAEHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nn(C)cc1[O-] ZINC001412760878 934326183 /nfs/dbraw/zinc/32/61/83/934326183.db2.gz FMKOUONKUUDYLA-SSDOTTSWSA-N -2 3 295.726 1.976 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC(c2nnn[n-]2)CC1 ZINC001455020820 968593145 /nfs/dbraw/zinc/59/31/45/968593145.db2.gz KPGCTWBFFWXFDY-UHFFFAOYSA-N -2 3 291.286 1.064 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC(c2nn[n-]n2)CC1 ZINC001455020820 968593150 /nfs/dbraw/zinc/59/31/50/968593150.db2.gz KPGCTWBFFWXFDY-UHFFFAOYSA-N -2 3 291.286 1.064 10 0 CDAEHL Cc1nnc(-n2[n-]c3c(c2=O)CCc2ccccc2-3)[n-]c1=O ZINC000634586091 356465557 /nfs/dbraw/zinc/46/55/57/356465557.db2.gz BMHDOKUKSVBJNN-NSHDSACASA-N -2 3 295.302 1.199 10 0 CDAEHL O=C(N=c1nc(-c2ccsc2)[n-]s1)c1nnc[n-]1 ZINC000358527377 367750347 /nfs/dbraw/zinc/75/03/47/367750347.db2.gz JFQIQVAPDMWIQE-UHFFFAOYSA-N -2 3 278.322 1.059 10 0 CDAEHL O=C(N=c1nc(-c2ccsc2)[n-]s1)c1ncn[n-]1 ZINC000358527377 367750349 /nfs/dbraw/zinc/75/03/49/367750349.db2.gz JFQIQVAPDMWIQE-UHFFFAOYSA-N -2 3 278.322 1.059 10 0 CDAEHL O=C(N=c1nc(-c2ccsc2)[n-]s1)c1nc[n-]n1 ZINC000358527377 367750352 /nfs/dbraw/zinc/75/03/52/367750352.db2.gz JFQIQVAPDMWIQE-UHFFFAOYSA-N -2 3 278.322 1.059 10 0 CDAEHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)cc1[O-] ZINC000653461935 412833861 /nfs/dbraw/zinc/83/38/61/412833861.db2.gz MLAKKGBCYLQSHJ-UHFFFAOYSA-N -2 3 291.303 1.532 10 0 CDAEHL C[C@@H]1[C@H](C(=O)N=c2ccc([O-])n[n-]2)[C@H]1c1ccccc1 ZINC000430795335 392068791 /nfs/dbraw/zinc/06/87/91/392068791.db2.gz FVWKFQZGWPZEAP-FZZIBODNSA-N -2 3 269.304 1.592 10 0 CDAEHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1 ZINC000568095572 392363567 /nfs/dbraw/zinc/36/35/67/392363567.db2.gz GPJDDGDTKKTUQG-VIFPVBQESA-N -2 3 275.326 1.510 10 0 CDAEHL COc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000663150997 414003687 /nfs/dbraw/zinc/00/36/87/414003687.db2.gz BBXHYEQUZQSZHF-LLVKDONJSA-N -2 3 293.319 1.632 10 0 CDAEHL CCC[C@](C)(N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483708 174286771 /nfs/dbraw/zinc/28/67/71/174286771.db2.gz FUZUFCHTJGXCFZ-AWEZNQCLSA-N -2 3 294.307 1.539 10 0 CDAEHL CC[C@H](C)NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483704 174287129 /nfs/dbraw/zinc/28/71/29/174287129.db2.gz GTIJSTNTOOHQBU-QMMMGPOBSA-N -2 3 294.307 1.410 10 0 CDAEHL CCN(C(=O)c1ccccc1[O-])C(C)(C)C(=O)[O-] ZINC000061148974 520103981 /nfs/dbraw/zinc/10/39/81/520103981.db2.gz AQNHJZQKAAHOGZ-UHFFFAOYSA-N -2 3 251.282 1.718 10 0 CDAEHL C[C@H]1CCCC[C@H]1Cn1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591924 526260468 /nfs/dbraw/zinc/26/04/68/526260468.db2.gz WLBZKVROMCSNJG-IUCAKERBSA-N -2 3 285.369 1.574 10 0 CDAEHL Cc1nc(CSCCC(=O)[N-]OCC(=O)[O-])cs1 ZINC000069072961 526912147 /nfs/dbraw/zinc/91/21/47/526912147.db2.gz PUNHZPBQMATHLQ-UHFFFAOYSA-N -2 3 290.366 1.207 10 0 CDAEHL Cc1cc(Cl)nc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001470585680 970349019 /nfs/dbraw/zinc/34/90/19/970349019.db2.gz FJNSUAHWLMLSHH-UHFFFAOYSA-N -2 3 294.698 1.175 10 0 CDAEHL CCC(F)(F)C[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000632595589 362120163 /nfs/dbraw/zinc/12/01/63/362120163.db2.gz NBIXHTZVSZDKHS-UHFFFAOYSA-N -2 3 283.271 1.855 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000274883421 192824598 /nfs/dbraw/zinc/82/45/98/192824598.db2.gz DKALEAUEJRVKLE-SSDOTTSWSA-N -2 3 291.300 1.301 10 0 CDAEHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cscn1 ZINC000566736974 370803535 /nfs/dbraw/zinc/80/35/35/370803535.db2.gz CJVIPTBOQSZEBZ-UHFFFAOYSA-N -2 3 278.355 1.066 10 0 CDAEHL Cc1c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cnn1C ZINC000427252791 247118338 /nfs/dbraw/zinc/11/83/38/247118338.db2.gz JDKGQLRVZCKHDZ-UHFFFAOYSA-N -2 3 285.300 1.374 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C1CC1 ZINC000647127844 390487253 /nfs/dbraw/zinc/48/72/53/390487253.db2.gz DNJBWPNVNFNXEE-GFCCVEGCSA-N -2 3 285.365 1.867 10 0 CDAEHL O=C([O-])CN(C(=O)c1cnn[n-]1)c1cccc(Cl)c1 ZINC000071215092 176086151 /nfs/dbraw/zinc/08/61/51/176086151.db2.gz BYKWOYVTVSRPEQ-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL O=C([O-])CN(C(=O)c1c[n-]nn1)c1cccc(Cl)c1 ZINC000071215092 176086153 /nfs/dbraw/zinc/08/61/53/176086153.db2.gz BYKWOYVTVSRPEQ-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL O=C([O-])CN(C(=O)c1cn[n-]n1)c1cccc(Cl)c1 ZINC000071215092 176086154 /nfs/dbraw/zinc/08/61/54/176086154.db2.gz BYKWOYVTVSRPEQ-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)CC(=O)[O-] ZINC000147324166 289067718 /nfs/dbraw/zinc/06/77/18/289067718.db2.gz NKGCWFLGMYUKBK-VIFPVBQESA-N -2 3 290.341 1.071 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])o1 ZINC000570848818 294322809 /nfs/dbraw/zinc/32/28/09/294322809.db2.gz NPZOZMQCKXBBCK-SNVBAGLBSA-N -2 3 287.337 1.510 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)CC(=O)[O-] ZINC000576948435 317236738 /nfs/dbraw/zinc/23/67/38/317236738.db2.gz YCIRMPMBTDNTTN-SECBINFHSA-N -2 3 275.326 1.367 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1cccnc1C(=O)[O-] ZINC000062767197 519918376 /nfs/dbraw/zinc/91/83/76/519918376.db2.gz MIJCYVQJLJNQFB-UHFFFAOYSA-N -2 3 294.336 1.538 10 0 CDAEHL CO[C@H](c1nc(SCC(=O)[O-])n[n-]1)c1ccccc1 ZINC000050437878 523959516 /nfs/dbraw/zinc/95/95/16/523959516.db2.gz LVSOXBSVJXYGLF-JTQLQIEISA-N -2 3 279.321 1.717 10 0 CDAEHL CCC(=O)c1ccc([O-])c(NC(=O)CCc2nn[n-]n2)c1 ZINC001628445222 1166073970 /nfs/dbraw/zinc/07/39/70/1166073970.db2.gz LVCIESYZCXKPIN-UHFFFAOYSA-N -2 3 289.295 1.069 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000871994512 1165371173 /nfs/dbraw/zinc/37/11/73/1165371173.db2.gz WLYXQGHALQXOIO-ZETCQYMHSA-N -2 3 291.350 1.152 10 0 CDAEHL CSC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994264 1165371467 /nfs/dbraw/zinc/37/14/67/1165371467.db2.gz STIGDDOSMDDDBG-LURJTMIESA-N -2 3 279.339 1.008 10 0 CDAEHL CCOc1nnc(NC(=O)c2cc(F)c([O-])c(F)c2)[n-]1 ZINC001362796711 971626511 /nfs/dbraw/zinc/62/65/11/971626511.db2.gz RFLAADXFYDLVJY-UHFFFAOYSA-N -2 3 284.222 1.440 10 0 CDAEHL CCOc1nc(NC(=O)c2cc(F)c([O-])c(F)c2)n[n-]1 ZINC001362796711 971626513 /nfs/dbraw/zinc/62/65/13/971626513.db2.gz RFLAADXFYDLVJY-UHFFFAOYSA-N -2 3 284.222 1.440 10 0 CDAEHL CCOc1n[n-]c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC001362796711 971626517 /nfs/dbraw/zinc/62/65/17/971626517.db2.gz RFLAADXFYDLVJY-UHFFFAOYSA-N -2 3 284.222 1.440 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])c([O-])c1 ZINC001456788679 969052625 /nfs/dbraw/zinc/05/26/25/969052625.db2.gz JCPSDWNJDSARJU-VIFPVBQESA-N -2 3 275.308 1.631 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000569443738 358471572 /nfs/dbraw/zinc/47/15/72/358471572.db2.gz UEFASXXTILKULL-BQBZGAKWSA-N -2 3 292.744 1.123 10 0 CDAEHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000656162253 413064630 /nfs/dbraw/zinc/06/46/30/413064630.db2.gz QOMXEIWERGLDRR-VIFPVBQESA-N -2 3 297.254 1.056 10 0 CDAEHL CC1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCCCC1 ZINC000045045860 175296231 /nfs/dbraw/zinc/29/62/31/175296231.db2.gz SPLHPLQVVBFMRH-UHFFFAOYSA-N -2 3 287.341 1.109 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000071234703 176093193 /nfs/dbraw/zinc/09/31/93/176093193.db2.gz GZXYKWFXVZRNIY-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL COc1nc([N-]C(=O)c2cc3c(C)nn(C)c3s2)n[n-]1 ZINC000158200686 278085510 /nfs/dbraw/zinc/08/55/10/278085510.db2.gz GZMHVNIVGMIISE-UHFFFAOYSA-N -2 3 292.324 1.322 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)[C@H]2CCCCO2)c([O-])c1 ZINC000050959451 526377653 /nfs/dbraw/zinc/37/76/53/526377653.db2.gz JQMRQCKNZFEHBH-LLVKDONJSA-N -2 3 265.265 1.598 10 0 CDAEHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000903034745 625782629 /nfs/dbraw/zinc/78/26/29/625782629.db2.gz CEKLGBGMMFHRNW-VIFPVBQESA-N -2 3 295.719 1.182 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)c1 ZINC000695639483 899649999 /nfs/dbraw/zinc/64/99/99/899649999.db2.gz AFUNMRMSMDOYNX-SNVBAGLBSA-N -2 3 299.348 1.979 10 0 CDAEHL CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nnn[n-]1 ZINC001454164415 968437440 /nfs/dbraw/zinc/43/74/40/968437440.db2.gz SUVHAOITRJEVGL-UHFFFAOYSA-N -2 3 287.201 1.201 10 0 CDAEHL CN(C(=O)c1ccc(C(F)(F)F)c([O-])c1)c1nn[n-]n1 ZINC001454164415 968437450 /nfs/dbraw/zinc/43/74/50/968437450.db2.gz SUVHAOITRJEVGL-UHFFFAOYSA-N -2 3 287.201 1.201 10 0 CDAEHL CSc1nc([N-]C(=O)c2ocnc2C(F)F)n[n-]1 ZINC000624925168 342022370 /nfs/dbraw/zinc/02/23/70/342022370.db2.gz QYPUHWGBTYNLMN-UHFFFAOYSA-N -2 3 275.240 1.705 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)C1CCC(C2CC2)CC1 ZINC000622847246 342261227 /nfs/dbraw/zinc/26/12/27/342261227.db2.gz NJNAWPBFXNKKIM-UHFFFAOYSA-N -2 3 261.325 1.759 10 0 CDAEHL O=C([O-])C1CN([C@@H]2CC[C@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1 ZINC000725270956 538461569 /nfs/dbraw/zinc/46/15/69/538461569.db2.gz HCEIUHPCLSPPQW-HRDYMLBCSA-N -2 3 295.257 1.435 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CC1)c1ccc2ccccc2c1[O-] ZINC000437000469 361635312 /nfs/dbraw/zinc/63/53/12/361635312.db2.gz UHBGEZCSXQHNSA-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CC1)c1ccc2ccccc2c1[O-] ZINC000437000469 361635315 /nfs/dbraw/zinc/63/53/15/361635315.db2.gz UHBGEZCSXQHNSA-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])C1CC1 ZINC000567734687 371127312 /nfs/dbraw/zinc/12/73/12/371127312.db2.gz UIVIIHDCKDLARR-LBPRGKRZSA-N -2 3 285.365 1.867 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)o1 ZINC000578241181 372365321 /nfs/dbraw/zinc/36/53/21/372365321.db2.gz WOTKLUPJBDNLGU-KOLCDFICSA-N -2 3 289.353 1.612 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000646060287 391957963 /nfs/dbraw/zinc/95/79/63/391957963.db2.gz KINFXKOABPBHBY-NQMVMOMDSA-N -2 3 285.321 1.445 10 0 CDAEHL CCc1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])s1 ZINC000656162721 413064458 /nfs/dbraw/zinc/06/44/58/413064458.db2.gz HOUDPGRUTJPSBQ-QMMMGPOBSA-N -2 3 295.357 1.402 10 0 CDAEHL COc1nc([N-]C(=O)c2cnc(-c3ccco3)s2)n[n-]1 ZINC000182997656 148281514 /nfs/dbraw/zinc/28/15/14/148281514.db2.gz GCKTWACSYIIOEI-UHFFFAOYSA-N -2 3 291.292 1.782 10 0 CDAEHL O=C([O-])CCCS(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000020245125 171098544 /nfs/dbraw/zinc/09/85/44/171098544.db2.gz AJFUYWYHCLYFPI-UHFFFAOYSA-N -2 3 279.264 1.571 10 0 CDAEHL Cc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663153636 414005917 /nfs/dbraw/zinc/00/59/17/414005917.db2.gz QVJIHTRXBJCBEM-GFCCVEGCSA-N -2 3 277.320 1.931 10 0 CDAEHL COc1cc(NC(=O)c2cnn[n-]2)c(Cl)cc1C(=O)[O-] ZINC000071215073 176086326 /nfs/dbraw/zinc/08/63/26/176086326.db2.gz QBVOUZYLMZKLLC-UHFFFAOYSA-N -2 3 296.670 1.417 10 0 CDAEHL COc1cc(NC(=O)c2c[n-]nn2)c(Cl)cc1C(=O)[O-] ZINC000071215073 176086327 /nfs/dbraw/zinc/08/63/27/176086327.db2.gz QBVOUZYLMZKLLC-UHFFFAOYSA-N -2 3 296.670 1.417 10 0 CDAEHL COc1cc(NC(=O)c2cn[n-]n2)c(Cl)cc1C(=O)[O-] ZINC000071215073 176086329 /nfs/dbraw/zinc/08/63/29/176086329.db2.gz QBVOUZYLMZKLLC-UHFFFAOYSA-N -2 3 296.670 1.417 10 0 CDAEHL Cc1nc(C(=O)[N-]c2ccsc2C(=O)[O-])no1 ZINC000071382298 176146282 /nfs/dbraw/zinc/14/62/82/176146282.db2.gz CJGCQUWAKYVNJO-UHFFFAOYSA-N -2 3 253.239 1.390 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2nc[n-]n2)c(Cl)c1 ZINC000071392152 176149063 /nfs/dbraw/zinc/14/90/63/176149063.db2.gz JKXIOGIEEBXIFZ-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL CCOC(=O)c1c[n-]n2c1nc([O-])c(C(C)C)c2=O ZINC000071474659 176186480 /nfs/dbraw/zinc/18/64/80/176186480.db2.gz MVUIQAMAEHIGIB-UHFFFAOYSA-N -2 3 265.269 1.441 10 0 CDAEHL COc1nc([N-]C(=O)c2conc2C(C)C)n[n-]1 ZINC000528944716 281302525 /nfs/dbraw/zinc/30/25/25/281302525.db2.gz DUALNXKGZBRUKT-UHFFFAOYSA-N -2 3 251.246 1.177 10 0 CDAEHL Cc1nc(=NC(=O)c2cccc3oc(=O)[n-]c32)s[n-]1 ZINC000553158319 290098067 /nfs/dbraw/zinc/09/80/67/290098067.db2.gz SVYFOCUYOIKQJP-UHFFFAOYSA-N -2 3 276.277 1.368 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000567163893 293726671 /nfs/dbraw/zinc/72/66/71/293726671.db2.gz GGHZTWZOGHJPDK-SRSLHRDFSA-N -2 3 271.294 1.055 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000097052028 482957011 /nfs/dbraw/zinc/95/70/11/482957011.db2.gz VUTREMZWKWTJIQ-VHSXEESVSA-N -2 3 263.293 1.684 10 0 CDAEHL CC(=O)c1cccc(NC(=O)[N-]OCC(=O)[O-])c1 ZINC000069073348 518436949 /nfs/dbraw/zinc/43/69/49/518436949.db2.gz IAQCQZKFSLOMNU-UHFFFAOYSA-N -2 3 252.226 1.027 10 0 CDAEHL CC(=O)c1cccc(NC([O-])=NOCC(=O)[O-])c1 ZINC000069073348 518436942 /nfs/dbraw/zinc/43/69/42/518436942.db2.gz IAQCQZKFSLOMNU-UHFFFAOYSA-N -2 3 252.226 1.027 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H](CC)CC(=O)[O-] ZINC000062767132 521615718 /nfs/dbraw/zinc/61/57/18/521615718.db2.gz FBBGSQQTTJJXHG-ZETCQYMHSA-N -2 3 259.331 1.327 10 0 CDAEHL C[C@@H]1CCC[C@@H](n2c(=O)[n-]nc2SCC(=O)[O-])C1 ZINC000061591736 524320286 /nfs/dbraw/zinc/32/02/86/524320286.db2.gz PKBKIVZZEVGUTK-HTQZYQBOSA-N -2 3 271.342 1.499 10 0 CDAEHL C[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])[C@H]1C(=O)[O-] ZINC000849365994 822406843 /nfs/dbraw/zinc/40/68/43/822406843.db2.gz JFZOWSYBPQWWPN-PRHODGIISA-N -2 3 278.308 1.300 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124643172 187147318 /nfs/dbraw/zinc/14/73/18/187147318.db2.gz KBFPQJFYLUZITR-UHFFFAOYSA-N -2 3 273.310 1.488 10 0 CDAEHL CC(C)C[C@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263390017 359270619 /nfs/dbraw/zinc/27/06/19/359270619.db2.gz FZHAHKWHMHCQLY-JTQLQIEISA-N -2 3 283.328 1.875 10 0 CDAEHL O=C(/N=c1\[n-]nc2ccccn21)c1cccc([O-])c1 ZINC000082282565 360075460 /nfs/dbraw/zinc/07/54/60/360075460.db2.gz NHAFRNMIZQDBEA-UHFFFAOYSA-N -2 3 254.249 1.109 10 0 CDAEHL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000630252382 368596421 /nfs/dbraw/zinc/59/64/21/368596421.db2.gz ONKMMQZMWIHLRT-AWEZNQCLSA-N -2 3 279.292 1.016 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000150273601 390959066 /nfs/dbraw/zinc/95/90/66/390959066.db2.gz NMQLOJILRVWRMX-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000010150635 170398591 /nfs/dbraw/zinc/39/85/91/170398591.db2.gz IQGKJQLLWIALDO-UWVGGRQHSA-N -2 3 261.277 1.998 10 0 CDAEHL CC(C)CC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021814369 171331578 /nfs/dbraw/zinc/33/15/78/171331578.db2.gz NSUREUHQPOVSJW-UHFFFAOYSA-N -2 3 291.394 1.700 10 0 CDAEHL CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021819618 171334051 /nfs/dbraw/zinc/33/40/51/171334051.db2.gz RHPUSQHSRLNVFY-MRVPVSSYSA-N -2 3 291.394 1.842 10 0 CDAEHL CCOc1ccccc1[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000042521637 174772552 /nfs/dbraw/zinc/77/25/52/174772552.db2.gz HFVVJIZGYNNGAP-MRVPVSSYSA-N -2 3 273.310 1.300 10 0 CDAEHL Cc1ccccc1Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000043560410 175066505 /nfs/dbraw/zinc/06/65/05/175066505.db2.gz VHQROANZEYBIQN-UHFFFAOYSA-N -2 3 272.304 1.605 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1c[n-]c2ccccc2c1=O ZINC000044612890 175217330 /nfs/dbraw/zinc/21/73/30/175217330.db2.gz FXJGKGXXBHHATR-GFCCVEGCSA-N -2 3 288.303 1.463 10 0 CDAEHL Cc1nc([C@H]2CCC[C@@H](C)C2)[n-]c(=O)c1CC(=O)[O-] ZINC000044981336 175283722 /nfs/dbraw/zinc/28/37/22/175283722.db2.gz VUDFWVBMYAXCTQ-SCZZXKLOSA-N -2 3 264.325 1.999 10 0 CDAEHL COc1ccc(-c2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000076522805 177033296 /nfs/dbraw/zinc/03/32/96/177033296.db2.gz QRQLAPLFOMPRLX-UHFFFAOYSA-N -2 3 288.303 1.689 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(C(C)(C)C)on2)n[n-]1 ZINC000272547288 278085734 /nfs/dbraw/zinc/08/57/34/278085734.db2.gz SJPMHIXDXUTKAX-UHFFFAOYSA-N -2 3 265.273 1.351 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)c1ccn(C2CCCCC2)n1 ZINC000576918850 317230177 /nfs/dbraw/zinc/23/01/77/317230177.db2.gz QGQNJMVWDCYIJS-UHFFFAOYSA-N -2 3 287.323 1.558 10 0 CDAEHL COc1ccc(-c2nc(C)c(C(=O)[O-])c(=O)[n-]2)cc1F ZINC000061669088 523194449 /nfs/dbraw/zinc/19/44/49/523194449.db2.gz LJVRAPQKVYKFJS-UHFFFAOYSA-N -2 3 278.239 1.591 10 0 CDAEHL Cc1nc(-c2ccc3c(c2)CCO3)[n-]c(=O)c1C(=O)[O-] ZINC000050892273 526580164 /nfs/dbraw/zinc/58/01/64/526580164.db2.gz MKAQTDXTHMLKFD-UHFFFAOYSA-N -2 3 272.260 1.378 10 0 CDAEHL O=C(c1ccc(F)cc1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217681 621371008 /nfs/dbraw/zinc/37/10/08/621371008.db2.gz PPQRNCCIQOLLQN-QMMMGPOBSA-N -2 3 291.282 1.590 10 0 CDAEHL COC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1[O-] ZINC000701386482 828407097 /nfs/dbraw/zinc/40/70/97/828407097.db2.gz ZOEDUTGPZKFHPB-AWEZNQCLSA-N -2 3 279.292 1.098 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1CCC1 ZINC000871992633 824175829 /nfs/dbraw/zinc/17/58/29/824175829.db2.gz BMGAWNYATNUHJC-UHFFFAOYSA-N -2 3 259.283 1.056 10 0 CDAEHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000079481932 356997827 /nfs/dbraw/zinc/99/78/27/356997827.db2.gz AUKNJTKVFSIURP-ZDUSSCGKSA-N -2 3 274.280 1.037 10 0 CDAEHL COc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCCC2)c1 ZINC000084142991 357117954 /nfs/dbraw/zinc/11/79/54/357117954.db2.gz WTQHSNGXNBGTQV-UHFFFAOYSA-N -2 3 293.319 1.918 10 0 CDAEHL O=C([O-])[C@H](O)c1c([O-])c(OC(F)(F)F)ccc1F ZINC000575704934 357291070 /nfs/dbraw/zinc/29/10/70/357291070.db2.gz RQKYYNQKXYOCFC-SSDOTTSWSA-N -2 3 270.134 1.548 10 0 CDAEHL O=C(N=c1cc(-c2ccncc2)[n-][nH]1)c1c([O-])cccc1[O-] ZINC000436645723 361549303 /nfs/dbraw/zinc/54/93/03/361549303.db2.gz CMGOBLCQAWFNKW-UHFFFAOYSA-N -3 3 296.286 1.557 10 0 CDAEHL O=C([O-])c1cc2c([O-])coc2c(Br)c1 ZINC000307140651 365405102 /nfs/dbraw/zinc/40/51/02/365405102.db2.gz BEDYDCIMDWPMNM-UHFFFAOYSA-N -2 3 257.039 1.722 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000133280042 393176701 /nfs/dbraw/zinc/17/67/01/393176701.db2.gz PDKOTSWPOVKIRG-BQBZGAKWSA-N -2 3 293.291 1.352 10 0 CDAEHL Cc1cc([N-]S(=O)(=O)N2CCCC2)sc1C(=O)[O-] ZINC000020255245 171108966 /nfs/dbraw/zinc/10/89/66/171108966.db2.gz OGIJAEMHPRXIGS-UHFFFAOYSA-N -2 3 290.366 1.507 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)o1 ZINC000656725536 413606784 /nfs/dbraw/zinc/60/67/84/413606784.db2.gz SEJXYABOCHMLNL-JTQLQIEISA-N -2 3 287.337 1.367 10 0 CDAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccco1)C1CCC1 ZINC000663257064 414091856 /nfs/dbraw/zinc/09/18/56/414091856.db2.gz SYBZETAGTWYTAL-SECBINFHSA-N -2 3 273.310 1.059 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1cnn[n-]1)CCC2 ZINC000071215067 176086193 /nfs/dbraw/zinc/08/61/93/176086193.db2.gz OHBBGIBOPLIBAC-UHFFFAOYSA-N -2 3 278.293 1.305 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1c[n-]nn1)CCC2 ZINC000071215067 176086194 /nfs/dbraw/zinc/08/61/94/176086194.db2.gz OHBBGIBOPLIBAC-UHFFFAOYSA-N -2 3 278.293 1.305 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1cn[n-]n1)CCC2 ZINC000071215067 176086196 /nfs/dbraw/zinc/08/61/96/176086196.db2.gz OHBBGIBOPLIBAC-UHFFFAOYSA-N -2 3 278.293 1.305 10 0 CDAEHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c[nH]1 ZINC000681573521 482913794 /nfs/dbraw/zinc/91/37/94/482913794.db2.gz CEXHZULEJSRUBD-MRVPVSSYSA-N -2 3 289.357 1.065 10 0 CDAEHL CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000050887777 521009801 /nfs/dbraw/zinc/00/98/01/521009801.db2.gz YMGWNKFOXVDVOQ-MRVPVSSYSA-N -2 3 275.326 1.835 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cn1 ZINC000061593862 519919466 /nfs/dbraw/zinc/91/94/66/519919466.db2.gz RZWXEXRUIWUGMW-UHFFFAOYSA-N -2 3 280.309 1.397 10 0 CDAEHL CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)CC(=O)[O-] ZINC000061178415 520089142 /nfs/dbraw/zinc/08/91/42/520089142.db2.gz UCAHZXUNESKAJW-SECBINFHSA-N -2 3 281.308 1.726 10 0 CDAEHL CCN(C(=O)c1cccc([O-])c1)[C@@H](C)CC(=O)[O-] ZINC000061178138 520101984 /nfs/dbraw/zinc/10/19/84/520101984.db2.gz GADJCLFTOUIHHP-VIFPVBQESA-N -2 3 251.282 1.718 10 0 CDAEHL Nc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000763039339 576702510 /nfs/dbraw/zinc/70/25/10/576702510.db2.gz DHQJOTNPNNJWIE-SECBINFHSA-N -2 3 278.308 1.301 10 0 CDAEHL O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1cccc(F)c1[O-] ZINC001644272988 1167302576 /nfs/dbraw/zinc/30/25/76/1167302576.db2.gz LSXPISCLBVUIHD-UHFFFAOYSA-N -2 3 295.295 1.246 10 0 CDAEHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993612 833877051 /nfs/dbraw/zinc/87/70/51/833877051.db2.gz PRHVFAWBOXQGHQ-YUMQZZPRSA-N -2 3 275.326 1.691 10 0 CDAEHL O=C(c1cccc([O-])c1F)N1CCC(c2nnn[n-]2)CC1 ZINC001362796438 971625801 /nfs/dbraw/zinc/62/58/01/971625801.db2.gz UVDFWUMAZBUNBQ-UHFFFAOYSA-N -2 3 291.286 1.064 10 0 CDAEHL O=C(NCCc1c(F)cc([O-])cc1F)c1ncccc1[O-] ZINC001420050414 962420321 /nfs/dbraw/zinc/42/03/21/962420321.db2.gz WFWBIZJRTNQOCX-UHFFFAOYSA-N -2 3 294.257 1.744 10 0 CDAEHL Cc1noc(=NC([O-])=CSc2nc(C(C)C)c[nH]2)[n-]1 ZINC000629228183 361749669 /nfs/dbraw/zinc/74/96/69/361749669.db2.gz OZKMHSZGYSHEAA-UHFFFAOYSA-N -2 3 281.341 1.377 10 0 CDAEHL COc1cccc(NC(=O)CCP(=O)([O-])[O-])c1 ZINC000096907986 185128373 /nfs/dbraw/zinc/12/83/73/185128373.db2.gz DZYBURWZMKMYFG-UHFFFAOYSA-N -2 3 259.198 1.202 10 0 CDAEHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)CC(=O)[O-] ZINC000147276027 362417197 /nfs/dbraw/zinc/41/71/97/362417197.db2.gz WAERTOPUFSZCOX-ZETCQYMHSA-N -2 3 293.291 1.354 10 0 CDAEHL O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000085323122 179016832 /nfs/dbraw/zinc/01/68/32/179016832.db2.gz PXHUSDCKTWHUKB-VXGBXAGGSA-N -2 3 263.293 1.765 10 0 CDAEHL CCOC([O-])=NC(=O)CSc1ccc(CC(=O)[O-])cc1 ZINC000085958358 179203607 /nfs/dbraw/zinc/20/36/07/179203607.db2.gz KPLYIWMBXLQZMR-UHFFFAOYSA-N -2 3 297.332 1.679 10 0 CDAEHL CCOC(=O)[N-]C(=O)CSc1ccc(CC(=O)[O-])cc1 ZINC000085958358 179203610 /nfs/dbraw/zinc/20/36/10/179203610.db2.gz KPLYIWMBXLQZMR-UHFFFAOYSA-N -2 3 297.332 1.679 10 0 CDAEHL Cc1cccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1[O-] ZINC000527500723 391023176 /nfs/dbraw/zinc/02/31/76/391023176.db2.gz FPPSBMXRSMKIMT-LBPRGKRZSA-N -2 3 287.319 1.949 10 0 CDAEHL [O-]c1cccnc1CN=c1nc(C(F)(F)F)[n-]s1 ZINC000343055280 152014880 /nfs/dbraw/zinc/01/48/80/152014880.db2.gz SPNKEDFQOIRBKA-UHFFFAOYSA-N -2 3 276.243 1.692 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCC(O)CC2)c([O-])c1 ZINC000040550058 174327276 /nfs/dbraw/zinc/32/72/76/174327276.db2.gz TTWREFPQSKEHDB-UHFFFAOYSA-N -2 3 280.280 1.079 10 0 CDAEHL COc1cc(=NC(=O)c2cc(F)c([O-])c(Cl)c2)[n-]n1C ZINC000580242817 324410983 /nfs/dbraw/zinc/41/09/83/324410983.db2.gz UPSVCYGJCXHCJY-UHFFFAOYSA-N -2 3 299.689 1.601 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC000404998963 482853268 /nfs/dbraw/zinc/85/32/68/482853268.db2.gz ISFFWTLWYIVOGL-DTWKUNHWSA-N -2 3 289.328 1.522 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(OC)ccc1[O-] ZINC000061215836 521196877 /nfs/dbraw/zinc/19/68/77/521196877.db2.gz OBBCQXKYBJVNIR-SECBINFHSA-N -2 3 281.308 1.584 10 0 CDAEHL C[C@H]1CCC[C@@H](n2c(=O)[n-]nc2SCC(=O)[O-])C1 ZINC000061591737 524154460 /nfs/dbraw/zinc/15/44/60/524154460.db2.gz PKBKIVZZEVGUTK-JGVFFNPUSA-N -2 3 271.342 1.499 10 0 CDAEHL Cc1ccccc1[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592056 525363590 /nfs/dbraw/zinc/36/35/90/525363590.db2.gz IECIYPIRQQEQGC-SECBINFHSA-N -2 3 293.348 1.666 10 0 CDAEHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])c2ccccc2c1 ZINC000910613171 618319164 /nfs/dbraw/zinc/31/91/64/618319164.db2.gz YTMYRJOVPCOGMG-DGCLKSJQSA-N -2 3 285.299 1.996 10 0 CDAEHL O=C(Nc1ccc([O-])c(F)c1F)c1cnncc1[O-] ZINC001635379860 1166584002 /nfs/dbraw/zinc/58/40/02/1166584002.db2.gz XPUMUKJQVRNUIG-UHFFFAOYSA-N -2 3 267.191 1.418 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)c(F)c(F)c1 ZINC001642456283 1167176693 /nfs/dbraw/zinc/17/66/93/1167176693.db2.gz JVMJDQFMLNGMDR-UHFFFAOYSA-N -2 3 299.208 1.235 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@]12C[C@H]1CCCC2 ZINC000871997164 840989412 /nfs/dbraw/zinc/98/94/12/840989412.db2.gz ZLNBXIISWZIGFU-PRHODGIISA-N -2 3 285.321 1.589 10 0 CDAEHL CCC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCC1 ZINC000871994525 842818661 /nfs/dbraw/zinc/81/86/61/842818661.db2.gz WWWRILOPEIVCPI-UHFFFAOYSA-N -2 3 287.337 1.836 10 0 CDAEHL O=C([N-]OCc1ccccn1)c1n[n-]c2ccccc2c1=O ZINC001299115831 955280042 /nfs/dbraw/zinc/28/00/42/955280042.db2.gz SEHIENFLCIAPAS-UHFFFAOYSA-N -2 3 296.286 1.592 10 0 CDAEHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2sccc2s1 ZINC001468541548 970173347 /nfs/dbraw/zinc/17/33/47/970173347.db2.gz QHMIGUANHLOIBP-UHFFFAOYSA-N -2 3 282.306 1.349 10 0 CDAEHL COC(=O)c1[n-]c(=NC[C@@H](C(=O)[O-])C(C)C)sc1C ZINC000594541736 342915564 /nfs/dbraw/zinc/91/55/64/342915564.db2.gz YNARLNUZISQMSB-MRVPVSSYSA-N -2 3 286.353 1.429 10 0 CDAEHL O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1 ZINC000085322576 179016123 /nfs/dbraw/zinc/01/61/23/179016123.db2.gz ZEVAPNHEAKPYRU-VXGBXAGGSA-N -2 3 263.293 1.765 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)cc1C(=O)[O-] ZINC000634653598 356640428 /nfs/dbraw/zinc/64/04/28/356640428.db2.gz BOSZYRNWUGWLAJ-SNVBAGLBSA-N -2 3 299.348 1.897 10 0 CDAEHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccs1 ZINC000089426601 358407120 /nfs/dbraw/zinc/40/71/20/358407120.db2.gz CCOSOVYDMUJNHF-RKDXNWHRSA-N -2 3 289.378 1.527 10 0 CDAEHL CCCc1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1 ZINC000348471310 360088195 /nfs/dbraw/zinc/08/81/95/360088195.db2.gz BQZLQXVCIBOLLT-UHFFFAOYSA-N -2 3 293.352 1.335 10 0 CDAEHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000565056237 360839625 /nfs/dbraw/zinc/83/96/25/360839625.db2.gz NPHCEMLTDPDYNU-SECBINFHSA-N -2 3 275.326 1.367 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])sc1C ZINC000646046068 391938712 /nfs/dbraw/zinc/93/87/12/391938712.db2.gz FYJHNWGLHJWXBT-ZETCQYMHSA-N -2 3 281.330 1.066 10 0 CDAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1cc(F)ccc1[O-] ZINC000525967530 392007460 /nfs/dbraw/zinc/00/74/60/392007460.db2.gz PHWYEQFQHIUPIU-LBPRGKRZSA-N -2 3 291.282 1.780 10 0 CDAEHL Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2[O-])cc1 ZINC000005933872 170157996 /nfs/dbraw/zinc/15/79/96/170157996.db2.gz HSQCUMQTQGTEJY-UHFFFAOYSA-N -2 3 292.316 1.093 10 0 CDAEHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCO[C@H]2C)c1 ZINC000571658271 294481610 /nfs/dbraw/zinc/48/16/10/294481610.db2.gz WNNGDRMYADFDIB-CABZTGNLSA-N -2 3 299.348 1.612 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C1CC1 ZINC000575922777 317040036 /nfs/dbraw/zinc/04/00/36/317040036.db2.gz IFDZXAUOVRJONP-LBPRGKRZSA-N -2 3 289.328 1.698 10 0 CDAEHL CCC1CCC(Cn2c(=O)[n-]nc2SCC(=O)[O-])CC1 ZINC000061592091 519851911 /nfs/dbraw/zinc/85/19/11/519851911.db2.gz FWEPWJXGGMAFTL-UHFFFAOYSA-N -2 3 299.396 1.965 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062767220 523094748 /nfs/dbraw/zinc/09/47/48/523094748.db2.gz YGRRTAWIGLXJFQ-DTWKUNHWSA-N -2 3 285.369 1.717 10 0 CDAEHL C[C@@H]1C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000052297340 525495212 /nfs/dbraw/zinc/49/52/12/525495212.db2.gz MTIGFRNUMAJPEL-HZGVNTEJSA-N -2 3 250.254 1.620 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1ccc(C=CC(=O)[O-])cc1 ZINC000061593253 527021019 /nfs/dbraw/zinc/02/10/19/527021019.db2.gz WBCXEYDCUVUWEY-VOTSOKGWSA-N -2 3 291.332 1.499 10 0 CDAEHL CS(=O)(=O)[N-]c1ccc(-c2nc(C(=O)[O-])cs2)cc1 ZINC000757566776 574912472 /nfs/dbraw/zinc/91/24/72/574912472.db2.gz OKKSLLCMZCQWPZ-UHFFFAOYSA-N -2 3 298.345 1.880 10 0 CDAEHL O=C([O-])c1cnc(CCOCc2ccccc2)[n-]c1=O ZINC000395510795 570286167 /nfs/dbraw/zinc/28/61/67/570286167.db2.gz COMLGVRMYOJPDI-UHFFFAOYSA-N -2 3 274.276 1.640 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](CC(=O)[O-])C2)o1 ZINC000903561687 626019906 /nfs/dbraw/zinc/01/99/06/626019906.db2.gz TWXGDDFKMIQCJT-VHSXEESVSA-N -2 3 287.337 1.510 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1cc(F)cc(Cl)c1[O-] ZINC001625779619 1158447763 /nfs/dbraw/zinc/44/77/63/1158447763.db2.gz PFTXCWUEHHRMCP-UHFFFAOYSA-N -2 3 299.693 1.659 10 0 CDAEHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnncc1[O-] ZINC001629758691 1166163033 /nfs/dbraw/zinc/16/30/33/1166163033.db2.gz RIUSEXNKXBBYIP-UHFFFAOYSA-N -2 3 297.274 1.530 10 0 CDAEHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000302121842 844055179 /nfs/dbraw/zinc/05/51/79/844055179.db2.gz VDTMRSJWYVCVDN-GORDUTHDSA-N -2 3 293.703 1.398 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000871995408 847144415 /nfs/dbraw/zinc/14/44/15/847144415.db2.gz WSAHMZVOJHYFMT-YWVKMMECSA-N -2 3 299.348 1.692 10 0 CDAEHL Cc1cnc(C(=O)Nc2cc(-c3nccn3C)n[n-]2)c([O-])c1 ZINC001143452880 897557345 /nfs/dbraw/zinc/55/73/45/897557345.db2.gz QTVNLNSIPHXZFY-UHFFFAOYSA-N -2 3 298.306 1.472 10 0 CDAEHL CC(C)Oc1c[nH]ccc1=NC(=O)c1ccc([O-])cc1[O-] ZINC001412775531 934347100 /nfs/dbraw/zinc/34/71/00/934347100.db2.gz GUJZOWPIPDIYOP-UHFFFAOYSA-N -2 3 288.303 1.954 10 0 CDAEHL O=C([O-])C1CN([C@@H]2CC[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)C1 ZINC000725270960 538461668 /nfs/dbraw/zinc/46/16/68/538461668.db2.gz HCEIUHPCLSPPQW-VGMNWLOBSA-N -2 3 295.257 1.435 10 0 CDAEHL C[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000634654687 356644495 /nfs/dbraw/zinc/64/44/95/356644495.db2.gz QETHNACYIFEFIB-MRVPVSSYSA-N -2 3 287.337 1.835 10 0 CDAEHL CCCC[C@H](C)C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1 ZINC000225744293 359614138 /nfs/dbraw/zinc/61/41/38/359614138.db2.gz INCRIMOHQGGKFR-VIFPVBQESA-N -2 3 281.356 1.010 10 0 CDAEHL Cc1nc(C=Cc2cnn(C)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443456843 250031299 /nfs/dbraw/zinc/03/12/99/250031299.db2.gz WYCGICJUHLIVFA-HYXAFXHYSA-N -2 3 288.307 1.412 10 0 CDAEHL CC(C)c1noc([N-][C@H](Cc2ccncc2)C(=O)[O-])n1 ZINC000656093504 413017816 /nfs/dbraw/zinc/01/78/16/413017816.db2.gz VVKVFQAAQSUVFT-SNVBAGLBSA-N -2 3 276.296 1.696 10 0 CDAEHL COc1cccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c1[O-] ZINC000062842147 413019199 /nfs/dbraw/zinc/01/91/99/413019199.db2.gz CKGNSXYVNJAUHB-UHFFFAOYSA-N -2 3 293.319 1.728 10 0 CDAEHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC000645934705 393388330 /nfs/dbraw/zinc/38/83/30/393388330.db2.gz SKDLUCCPJXTDPE-QMMMGPOBSA-N -2 3 299.304 1.919 10 0 CDAEHL CCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000035410556 172181896 /nfs/dbraw/zinc/18/18/96/172181896.db2.gz HWUXANFIOZGOOJ-SNVBAGLBSA-N -2 3 267.281 1.471 10 0 CDAEHL Cn1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC000040577159 174342283 /nfs/dbraw/zinc/34/22/83/174342283.db2.gz OEXYZWVKJLIMBX-UHFFFAOYSA-N -2 3 276.252 1.468 10 0 CDAEHL CCN(C(=O)c1ccc([O-])cc1)[C@H](C)CC(=O)[O-] ZINC000061177829 520088221 /nfs/dbraw/zinc/08/82/21/520088221.db2.gz HNBGDCQPXCGCKT-SECBINFHSA-N -2 3 251.282 1.718 10 0 CDAEHL CCN(C(=O)c1ccc2n[n-]nc2c1)[C@@H](C)CC(=O)[O-] ZINC000061180242 520092846 /nfs/dbraw/zinc/09/28/46/520092846.db2.gz DHLBTSAQTLPPNH-QMMMGPOBSA-N -2 3 276.296 1.283 10 0 CDAEHL CC[C@@H]1CCCC[C@@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592083 523209002 /nfs/dbraw/zinc/20/90/02/523209002.db2.gz UBOUOAWVAVRSHZ-BDAKNGLRSA-N -2 3 285.369 1.889 10 0 CDAEHL C[C@H]1CCCC[C@@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591698 526259810 /nfs/dbraw/zinc/25/98/10/526259810.db2.gz JBTYCPXFEZJOPV-YUMQZZPRSA-N -2 3 271.342 1.499 10 0 CDAEHL O=C(CC1(C(=O)[O-])CCOCC1)[N-]OC1CCCCC1 ZINC000911805007 629535572 /nfs/dbraw/zinc/53/55/72/629535572.db2.gz KHSZGECDXJXYOS-UHFFFAOYSA-N -2 3 285.340 1.638 10 0 CDAEHL Cc1cc(C[N-]S(=O)(=O)C(F)F)ccc1C(=O)[O-] ZINC000817422420 849023760 /nfs/dbraw/zinc/02/37/60/849023760.db2.gz JQHXSNPGQRCRFR-UHFFFAOYSA-N -2 3 279.264 1.335 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@]23C[C@@H]2CCCC3)c1 ZINC000694228758 898207386 /nfs/dbraw/zinc/20/73/86/898207386.db2.gz BXQHGURJPOPSAI-GXFFZTMASA-N -2 3 299.348 1.836 10 0 CDAEHL Cn1[n-]c(C(=O)Nc2c([O-])cccc2F)cc1=O ZINC001453007051 968219807 /nfs/dbraw/zinc/21/98/07/968219807.db2.gz BWEVZYSCEGWHCR-UHFFFAOYSA-N -2 3 251.217 1.223 10 0 CDAEHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1 ZINC000085322577 179016023 /nfs/dbraw/zinc/01/60/23/179016023.db2.gz ZEVAPNHEAKPYRU-NEPJUHHUSA-N -2 3 263.293 1.765 10 0 CDAEHL COC(=O)c1cc(C(=O)[N-]c2c([O-])cccc2F)on1 ZINC000611487858 346801212 /nfs/dbraw/zinc/80/12/12/346801212.db2.gz JJBZUDORAMVXKB-UHFFFAOYSA-N -2 3 280.211 1.558 10 0 CDAEHL Nc1ccc(-c2nc3c([O-])cccc3c(=O)[n-]2)cc1 ZINC000013864705 356362492 /nfs/dbraw/zinc/36/24/92/356362492.db2.gz FNYTYXJFOSRUTI-UHFFFAOYSA-N -2 3 253.261 1.878 10 0 in-vivo CDAEHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000069838022 356831538 /nfs/dbraw/zinc/83/15/38/356831538.db2.gz HWEXZOFOJIFUSP-SSDOTTSWSA-N -2 3 263.340 1.280 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c(F)c1 ZINC000274962335 356879841 /nfs/dbraw/zinc/87/98/41/356879841.db2.gz HUJDDNXZWJWFGU-VIFPVBQESA-N -2 3 289.328 1.523 10 0 CDAEHL Cc1ncc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])s1 ZINC000681576614 482914097 /nfs/dbraw/zinc/91/40/97/482914097.db2.gz AVVMDKJUQLZRSQ-UHFFFAOYSA-N -2 3 292.382 1.231 10 0 CDAEHL Nc1cc([O-])c(I)c(C(=O)[O-])c1 ZINC000575719496 374003416 /nfs/dbraw/zinc/00/34/16/374003416.db2.gz UJGAHRDJMOKQOT-UHFFFAOYSA-N -2 3 279.033 1.277 10 0 CDAEHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000185265220 391575407 /nfs/dbraw/zinc/57/54/07/391575407.db2.gz YHEUBHWLCQBAOE-MRVPVSSYSA-N -2 3 274.317 1.672 10 0 CDAEHL Cc1[nH]c(=O)[n-]c(=S)c1C(=O)[N-]Oc1ccc(F)cc1 ZINC001584008207 1172793767 /nfs/dbraw/zinc/79/37/67/1172793767.db2.gz JZHIBOZDAOVVFW-UHFFFAOYSA-N -2 3 295.295 1.642 10 0 CDAEHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000010150631 170398522 /nfs/dbraw/zinc/39/85/22/170398522.db2.gz IQGKJQLLWIALDO-ZJUUUORDSA-N -2 3 261.277 1.998 10 0 CDAEHL COc1ccc(CSc2nc([O-])cc(=O)[n-]2)cc1 ZINC000039080924 174163221 /nfs/dbraw/zinc/16/32/21/174163221.db2.gz PHPWSDCJFLYKOE-UHFFFAOYSA-N -2 3 264.306 1.776 10 0 CDAEHL C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000044885673 175270638 /nfs/dbraw/zinc/27/06/38/175270638.db2.gz SBWSAZFNEAXCAV-YFKPBYRVSA-N -2 3 267.676 1.050 10 0 CDAEHL C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000044885673 175270640 /nfs/dbraw/zinc/27/06/40/175270640.db2.gz SBWSAZFNEAXCAV-YFKPBYRVSA-N -2 3 267.676 1.050 10 0 CDAEHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000569367796 316773734 /nfs/dbraw/zinc/77/37/34/316773734.db2.gz ONEPQYAUZGACGM-CABZTGNLSA-N -2 3 299.348 1.233 10 0 CDAEHL CCO[N-]C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000366078117 520232150 /nfs/dbraw/zinc/23/21/50/520232150.db2.gz BFNZFVSPWGWQHW-UHFFFAOYSA-N -2 3 270.339 1.762 10 0 CDAEHL CO[C@@H](c1nc(SCC(=O)[O-])n[n-]1)c1ccccc1 ZINC000050437879 523552082 /nfs/dbraw/zinc/55/20/82/523552082.db2.gz LVSOXBSVJXYGLF-SNVBAGLBSA-N -2 3 279.321 1.717 10 0 CDAEHL Cn1ccnc1-c1cc(NC(=O)c2ncccc2[O-])[n-]n1 ZINC000772479156 575708134 /nfs/dbraw/zinc/70/81/34/575708134.db2.gz BSGOOAPDSOQCFF-UHFFFAOYSA-N -2 3 284.279 1.163 10 0 CDAEHL O=C([O-])[C@@H](CCF)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000909048931 628490933 /nfs/dbraw/zinc/49/09/33/628490933.db2.gz PBYXJUILVAXOMH-SECBINFHSA-N -2 3 288.250 1.143 10 0 CDAEHL C[C@@H]1C[C@H](C(=O)NCc2ccc([O-])c(F)c2)O[C@H]1C(=O)[O-] ZINC000909921720 628775760 /nfs/dbraw/zinc/77/57/60/628775760.db2.gz CWTMKHGMYHVMJT-NZXMKCKXSA-N -2 3 297.282 1.026 10 0 CDAEHL Nc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000853060419 705781157 /nfs/dbraw/zinc/78/11/57/705781157.db2.gz XYWOENICGPMOCZ-LLVKDONJSA-N -2 3 278.308 1.205 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000871993109 1165371314 /nfs/dbraw/zinc/37/13/14/1165371314.db2.gz KHOQAFZILRREAX-SECBINFHSA-N -2 3 285.321 1.612 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1c([O-])cccc1Cl ZINC001362057290 970827191 /nfs/dbraw/zinc/82/71/91/970827191.db2.gz RHWRBYVWOUGHKC-MRVPVSSYSA-N -2 3 295.726 1.287 10 0 CDAEHL Cc1cc(=O)[n-]c(CNC(=O)c2c([O-])cc(F)cc2F)n1 ZINC001363125507 971909117 /nfs/dbraw/zinc/90/91/17/971909117.db2.gz YWPBFWDMBSGOJU-UHFFFAOYSA-N -2 3 295.245 1.404 10 0 CDAEHL Cc1ccc(C(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1 ZINC000116499705 342045439 /nfs/dbraw/zinc/04/54/39/342045439.db2.gz STTQLDYWHSUFPD-UHFFFAOYSA-N -4 3 266.126 1.349 10 0 CDAEHL CCO[C@H](CS(=O)(=O)[N-]c1ccccc1[O-])C1CC1 ZINC000629283254 361810101 /nfs/dbraw/zinc/81/01/01/361810101.db2.gz RBFDSNGPJULINE-CYBMUJFWSA-N -2 3 285.365 1.949 10 0 CDAEHL O=Cc1ccc2c(c1[O-])C(=O)c1c([O-])cccc1C2=O ZINC000034509135 342445876 /nfs/dbraw/zinc/44/58/76/342445876.db2.gz MLQXBFDJWAWWLP-UHFFFAOYSA-N -2 3 268.224 1.686 10 0 CDAEHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[N-]c1cnoc1 ZINC000624011166 351378783 /nfs/dbraw/zinc/37/87/83/351378783.db2.gz MRPWZBNMKSGGQJ-UHFFFAOYSA-N -2 3 299.283 1.438 10 0 CDAEHL O=C1O[C@H](c2c([O-])[nH]c(=S)[n-]c2=O)c2ccccc21 ZINC000005908731 356062898 /nfs/dbraw/zinc/06/28/98/356062898.db2.gz IJEQVKRHDHOUNQ-QMMMGPOBSA-N -2 3 276.273 1.398 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC23CC3)oc1C(=O)[O-] ZINC000634653771 356641646 /nfs/dbraw/zinc/64/16/46/356641646.db2.gz JFBNJBLXYHMMJL-VIFPVBQESA-N -2 3 299.348 1.897 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccco1 ZINC000336625773 363888302 /nfs/dbraw/zinc/88/83/02/363888302.db2.gz UTDJSTLPABNICJ-UHFFFAOYSA-N -2 3 257.242 1.925 10 0 CDAEHL COc1nc(NC(=O)c2cc3ccccc3cc2[O-])n[n-]1 ZINC000179702857 364997366 /nfs/dbraw/zinc/99/73/66/364997366.db2.gz MLMPAVBSOZJUIE-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL COc1nnc(NC(=O)c2cc3ccccc3cc2[O-])[n-]1 ZINC000179702857 364997367 /nfs/dbraw/zinc/99/73/67/364997367.db2.gz MLMPAVBSOZJUIE-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000179702857 364997370 /nfs/dbraw/zinc/99/73/70/364997370.db2.gz MLMPAVBSOZJUIE-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL CCC(CC)CS(=O)(=O)[N-]Cc1nocc1C(=O)[O-] ZINC000656165528 413066744 /nfs/dbraw/zinc/06/67/44/413066744.db2.gz VBMYAQQLOPVKBR-UHFFFAOYSA-N -2 3 290.341 1.228 10 0 CDAEHL CC1(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)CC1 ZINC000650405698 397918641 /nfs/dbraw/zinc/91/86/41/397918641.db2.gz YGPIYAKPOMFTCT-UHFFFAOYSA-N -2 3 291.275 1.957 10 0 CDAEHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])o1 ZINC000037732168 398104470 /nfs/dbraw/zinc/10/44/70/398104470.db2.gz MJWWMVWXDMXQPU-ZETCQYMHSA-N -2 3 299.308 1.049 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)N2CCCCC2)s1 ZINC000035426757 172194447 /nfs/dbraw/zinc/19/44/47/172194447.db2.gz LBQIALQNAGFSLR-UHFFFAOYSA-N -2 3 290.366 1.589 10 0 CDAEHL O=C([O-])CCn1cc(-c2cc(C(F)(F)F)n[n-]2)cn1 ZINC000657203197 414032899 /nfs/dbraw/zinc/03/28/99/414032899.db2.gz KXDBJXKUHKQXMM-UHFFFAOYSA-N -2 3 274.202 1.767 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCC[C@H]2CCCO2)c([O-])c1 ZINC000044511191 175187825 /nfs/dbraw/zinc/18/78/25/175187825.db2.gz SUDDWQWOAIGKNU-SNVBAGLBSA-N -2 3 294.307 1.781 10 0 CDAEHL Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cnn[n-]1 ZINC000071215082 176086075 /nfs/dbraw/zinc/08/60/75/176086075.db2.gz JXCQOBRZSZOPKF-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL Cc1ccccc1N(CCC(=O)[O-])C(=O)c1c[n-]nn1 ZINC000071215082 176086076 /nfs/dbraw/zinc/08/60/76/176086076.db2.gz JXCQOBRZSZOPKF-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cn[n-]n1 ZINC000071215082 176086078 /nfs/dbraw/zinc/08/60/78/176086078.db2.gz JXCQOBRZSZOPKF-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000569443743 316780976 /nfs/dbraw/zinc/78/09/76/316780976.db2.gz UEFASXXTILKULL-RQJHMYQMSA-N -2 3 292.744 1.123 10 0 CDAEHL C[C@H](Cc1ccsc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592090 524763171 /nfs/dbraw/zinc/76/31/71/524763171.db2.gz NQUJKASYYGCVND-SSDOTTSWSA-N -2 3 299.377 1.613 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC2CCC2)c([O-])c1 ZINC000052213346 526376164 /nfs/dbraw/zinc/37/61/64/526376164.db2.gz YZRRSPIAYAZUQC-UHFFFAOYSA-N -2 3 250.254 1.764 10 0 CDAEHL O=C([O-])CO[N-]C(=O)/C=C/c1ccc(F)c(Cl)c1 ZINC000070185846 527614767 /nfs/dbraw/zinc/61/47/67/527614767.db2.gz BTHAXFQWPKODSH-DUXPYHPUSA-N -2 3 273.647 1.625 10 0 CDAEHL C[C@@](CCF)(NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000909974151 628788920 /nfs/dbraw/zinc/78/89/20/628788920.db2.gz ORQKTUUQUOMUHH-LBPRGKRZSA-N -2 3 289.690 1.978 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000712708918 909587184 /nfs/dbraw/zinc/58/71/84/909587184.db2.gz IIRJPLWOMPGTNJ-KOLCDFICSA-N -2 3 299.348 1.692 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1cnc(C)s1)CC(=O)[O-] ZINC000230101685 346547316 /nfs/dbraw/zinc/54/73/16/346547316.db2.gz PPWKGWHGYPGKGR-MRVPVSSYSA-N -2 3 292.382 1.231 10 0 CDAEHL COc1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c([O-])c1 ZINC000622000252 350925520 /nfs/dbraw/zinc/92/55/20/350925520.db2.gz CTOLRHLYGFOVHG-ZDUSSCGKSA-N -2 3 285.271 1.334 10 0 CDAEHL COc1ccc(Cc2nc(C(=O)[O-])cc(=O)[n-]2)cc1OC ZINC000058036354 358736340 /nfs/dbraw/zinc/73/63/40/358736340.db2.gz WJDJSHGRCQGXLK-UHFFFAOYSA-N -2 3 290.275 1.076 10 0 CDAEHL O=c1[n-]c(C[N-]c2nc(-c3cccc(Cl)c3)no2)n[nH]1 ZINC000301759472 201180549 /nfs/dbraw/zinc/18/05/49/201180549.db2.gz FMTOJAKZIYTUIU-UHFFFAOYSA-N -2 3 292.686 1.414 10 0 CDAEHL O=C([N-]O[C@H]1CCCCO1)c1s[n-]c(=O)c1Cl ZINC000282912960 368101233 /nfs/dbraw/zinc/10/12/33/368101233.db2.gz BQFZKYDLXPVTOS-YFKPBYRVSA-N -2 3 278.717 1.690 10 0 CDAEHL O=C([O-])c1cccc([N-]S(=O)(=O)CCCCF)c1O ZINC000287204895 369121743 /nfs/dbraw/zinc/12/17/43/369121743.db2.gz MCBVAIPKUMZCMI-UHFFFAOYSA-N -2 3 291.300 1.582 10 0 CDAEHL CCc1ccc([O-])c(C(=O)N=c2cc(OC)n(C)[n-]2)c1 ZINC000548472939 369869835 /nfs/dbraw/zinc/86/98/35/369869835.db2.gz RUBLNFQFHYXOKB-UHFFFAOYSA-N -2 3 275.308 1.371 10 0 CDAEHL C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000564925910 370300115 /nfs/dbraw/zinc/30/01/15/370300115.db2.gz DLTHHHCUONZVGN-NWALNABHSA-N -2 3 273.310 1.286 10 0 CDAEHL N[C@H](c1cc(Br)cs1)P(=O)([O-])[O-] ZINC000307526637 372987526 /nfs/dbraw/zinc/98/75/26/372987526.db2.gz FHRFTBVMSJAJCP-YFKPBYRVSA-N -2 3 272.060 1.646 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])o1 ZINC000573854467 392450276 /nfs/dbraw/zinc/45/02/76/392450276.db2.gz SJANVYVVMXEHDU-QMMMGPOBSA-N -2 3 275.326 1.510 10 0 CDAEHL CC(C)NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483696 174286893 /nfs/dbraw/zinc/28/68/93/174286893.db2.gz RZUQVFCUFVTRGC-UHFFFAOYSA-N -2 3 280.280 1.020 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])C1CC1 ZINC000570800747 294310956 /nfs/dbraw/zinc/31/09/56/294310956.db2.gz YZTUEEIOEGOVQA-ZDUSSCGKSA-N -2 3 285.365 1.867 10 0 CDAEHL CCc1[n-][nH]c(=NC(=O)c2s[n-]c(=O)c2Cl)c1C ZINC000573107474 294755341 /nfs/dbraw/zinc/75/53/41/294755341.db2.gz WJTQSNDCUPTSEW-UHFFFAOYSA-N -2 3 286.744 1.770 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)o1 ZINC000581135971 324661018 /nfs/dbraw/zinc/66/10/18/324661018.db2.gz SPLFKTRZIWXABB-VIFPVBQESA-N -2 3 275.326 1.366 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000061215093 521244930 /nfs/dbraw/zinc/24/49/30/521244930.db2.gz BPIIHIDDUQAMQN-JTQLQIEISA-N -2 3 265.309 1.883 10 0 CDAEHL Cc1cc(C(=O)[N-]c2ncc(/C=C/C(=O)[O-])s2)on1 ZINC000049591720 524186698 /nfs/dbraw/zinc/18/66/98/524186698.db2.gz YCWGDCNJTSXZNY-NSCUHMNNSA-N -2 3 279.277 1.790 10 0 CDAEHL O=C([O-])c1cnc(Cc2ccc(F)cc2Cl)[n-]c1=O ZINC000062608676 526403509 /nfs/dbraw/zinc/40/35/09/526403509.db2.gz XQWOQKYAXQCHNL-UHFFFAOYSA-N -2 3 282.658 1.851 10 0 CDAEHL CCC(C)(CC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993243 1165371239 /nfs/dbraw/zinc/37/12/39/1165371239.db2.gz FFESNVXFXHJRJI-UHFFFAOYSA-N -2 3 275.326 1.835 10 0 CDAEHL C[C@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])C[C@H]2C[C@H]2C1 ZINC000871995241 1165371336 /nfs/dbraw/zinc/37/13/36/1165371336.db2.gz ORVHDDUUXSBFIE-WOFXILAISA-N -2 3 299.348 1.692 10 0 CDAEHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(C)cc(C=O)c1[O-] ZINC001141580896 936907983 /nfs/dbraw/zinc/90/79/83/936907983.db2.gz NRAULPZLGFZUNH-UHFFFAOYSA-N -2 3 275.264 1.503 10 0 CDAEHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000133300736 342069971 /nfs/dbraw/zinc/06/99/71/342069971.db2.gz AINDDZDONTZILS-RQJHMYQMSA-N -2 3 293.291 1.352 10 0 CDAEHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000424367810 282120374 /nfs/dbraw/zinc/12/03/74/282120374.db2.gz NYIABZNVXJBSNA-UHFFFAOYSA-N -2 3 289.353 1.757 10 0 CDAEHL O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000085323349 179016491 /nfs/dbraw/zinc/01/64/91/179016491.db2.gz XFUHQJDGGDLURT-MWLCHTKSSA-N -2 3 263.293 1.765 10 0 CDAEHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1[O-])N1CCC1 ZINC000408067846 357802691 /nfs/dbraw/zinc/80/26/91/357802691.db2.gz PINNZLFLXRBILN-UHFFFAOYSA-N -2 3 296.270 1.773 10 0 CDAEHL CN(C)c1nc(C(=O)Nc2ccc(F)cc2[O-])cc(=O)[n-]1 ZINC000338819956 361061549 /nfs/dbraw/zinc/06/15/49/361061549.db2.gz RVKWTTKUDKNJAK-UHFFFAOYSA-N -2 3 292.270 1.345 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1c([O-])cccc1F ZINC000437000554 361635392 /nfs/dbraw/zinc/63/53/92/361635392.db2.gz MUCCOCURSSNIOL-UHFFFAOYSA-N -2 3 262.240 1.562 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]Cc2ncccc2[O-])o1 ZINC000360030395 368083189 /nfs/dbraw/zinc/08/31/89/368083189.db2.gz WOIIUALBZVPPMF-UHFFFAOYSA-N -2 3 268.294 1.167 10 0 CDAEHL O=C(c1ccccc1[O-])N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000538823079 368368227 /nfs/dbraw/zinc/36/82/27/368368227.db2.gz JRRSBYWEZIWIPJ-UHFFFAOYSA-N -2 3 288.307 1.236 10 0 CDAEHL CCc1[n-][nH]c(=NC(=O)c2cc(F)c([O-])c(F)c2)c1C ZINC000334457995 375410203 /nfs/dbraw/zinc/41/02/03/375410203.db2.gz QJBMXAQEPMIHPN-UHFFFAOYSA-N -2 3 281.262 1.939 10 0 CDAEHL CN(C(=O)Nc1ccc(C(=O)[O-])cc1[O-])C1CC1 ZINC000040561187 174334930 /nfs/dbraw/zinc/33/49/30/174334930.db2.gz BOXRKBZZDUPAAY-UHFFFAOYSA-N -2 3 250.254 1.717 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3cccnc3)on2)n[n-]1 ZINC000179369988 278085552 /nfs/dbraw/zinc/08/55/52/278085552.db2.gz DCZOBSVAEGXTOR-UHFFFAOYSA-N -2 3 286.251 1.116 10 0 CDAEHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C2CCC2)s1 ZINC000052209086 527638283 /nfs/dbraw/zinc/63/82/83/527638283.db2.gz HLFALFSLSYBNLR-UHFFFAOYSA-N -2 3 275.351 1.206 10 0 CDAEHL Nc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000763039809 576702476 /nfs/dbraw/zinc/70/24/76/576702476.db2.gz DHQJOTNPNNJWIE-VIFPVBQESA-N -2 3 278.308 1.301 10 0 CDAEHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)CO1 ZINC000629292293 361815429 /nfs/dbraw/zinc/81/54/29/361815429.db2.gz GKNRSXUEFMWYEJ-NSHDSACASA-N -2 3 299.348 1.694 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000133212609 342069959 /nfs/dbraw/zinc/06/99/59/342069959.db2.gz REEFSYITAGQFFN-IUCAKERBSA-N -2 3 289.328 1.522 10 0 CDAEHL CC(F)(F)C[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000632371282 377352811 /nfs/dbraw/zinc/35/28/11/377352811.db2.gz ZREXRNLERQNIPI-UHFFFAOYSA-N -2 3 269.244 1.465 10 0 CDAEHL CC[C@@H](C)[C@H](NC(=O)c1cc(C)ccc1[O-])C(=O)[O-] ZINC000019275127 170769097 /nfs/dbraw/zinc/76/90/97/170769097.db2.gz PQKSQWFBXSBUFG-SKDRFNHKSA-N -2 3 265.309 1.930 10 0 CDAEHL CC[C@@H](C)[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000021959086 171342439 /nfs/dbraw/zinc/34/24/39/171342439.db2.gz HWPMXBDSDKMBHS-KCJUWKMLSA-N -2 3 251.282 1.621 10 0 CDAEHL COc1cccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1[O-] ZINC000043508486 175059677 /nfs/dbraw/zinc/05/96/77/175059677.db2.gz UBKDSDOXGMRILJ-CYBMUJFWSA-N -2 3 297.332 1.091 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c1F ZINC000313222426 424374190 /nfs/dbraw/zinc/37/41/90/424374190.db2.gz WWWWYHZYFXRUFY-BDAKNGLRSA-N -2 3 289.328 1.522 10 0 CDAEHL CC(C)n1cc([N-]S(=O)(=O)CCCC(=O)[O-])cn1 ZINC000061683260 519965294 /nfs/dbraw/zinc/96/52/94/519965294.db2.gz NJXHFQKFPFNGIS-UHFFFAOYSA-N -2 3 275.330 1.071 10 0 CDAEHL CC(C)(c1ccccc1)c1ncc(C(=O)[O-])c(=O)[n-]1 ZINC000062773691 519382622 /nfs/dbraw/zinc/38/26/22/519382622.db2.gz HYRPKIZEAMLBPU-UHFFFAOYSA-N -2 3 258.277 1.794 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000061215230 521196581 /nfs/dbraw/zinc/19/65/81/521196581.db2.gz JQLCIQPFJFLMDP-SNVBAGLBSA-N -2 3 265.309 1.883 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccccc1C(=O)[O-] ZINC000061593854 521615725 /nfs/dbraw/zinc/61/57/25/521615725.db2.gz CXPIJNWWWBLSHP-UHFFFAOYSA-N -2 3 279.321 1.831 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767219 523093661 /nfs/dbraw/zinc/09/36/61/523093661.db2.gz IVXNAFIPLJTQLU-SFYZADRCSA-N -2 3 271.342 1.327 10 0 CDAEHL CN(C(=O)c1c[n-]c2ccccc2c1=O)C(C)(C)C(=O)[O-] ZINC000061150623 523916465 /nfs/dbraw/zinc/91/64/65/523916465.db2.gz ICVUZPXRJMKLOX-UHFFFAOYSA-N -2 3 288.303 1.463 10 0 CDAEHL CSC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000910878666 618565075 /nfs/dbraw/zinc/56/50/75/618565075.db2.gz JGCHEKUADSQKTR-SECBINFHSA-N -2 3 269.322 1.247 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H]2C=CC[C@H](C(=O)[O-])C2)o1 ZINC000906000151 627088374 /nfs/dbraw/zinc/08/83/74/627088374.db2.gz DDUDWYSGPRPFDX-UWVGGRQHSA-N -2 3 285.321 1.286 10 0 CDAEHL O=C([O-])C12CC(C1)CN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000909949882 628773752 /nfs/dbraw/zinc/77/37/52/628773752.db2.gz QHSYRRNMUYTADK-UHFFFAOYSA-N -2 3 279.267 1.149 10 0 CDAEHL Cn1[n-]c(C(=O)Nc2cc(Cl)ccc2[O-])cc1=O ZINC001566638731 1168366404 /nfs/dbraw/zinc/36/64/04/1168366404.db2.gz KRIYVUHEPITWJW-UHFFFAOYSA-N -2 3 267.672 1.737 10 0 CDAEHL O=C(CCc1nn[n-]n1)Nc1cccc(Cl)c1[O-] ZINC001137932511 936437172 /nfs/dbraw/zinc/43/71/72/936437172.db2.gz AHVOVMSNDASAOG-UHFFFAOYSA-N -2 3 267.676 1.130 10 0 CDAEHL CCc1cc(=NC(=O)c2cnc3ccccc3c2[O-])[n-]o1 ZINC000606886516 345099207 /nfs/dbraw/zinc/09/92/07/345099207.db2.gz MMSRVOBTKSXOOM-UHFFFAOYSA-N -2 3 283.287 1.753 10 0 CDAEHL CCc1cc(=NC(=O)c2c[n-]c3ccccc3c2=O)[n-]o1 ZINC000606886516 345099210 /nfs/dbraw/zinc/09/92/10/345099210.db2.gz MMSRVOBTKSXOOM-UHFFFAOYSA-N -2 3 283.287 1.753 10 0 CDAEHL CCC(C)(CC)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000230955512 346557135 /nfs/dbraw/zinc/55/71/35/346557135.db2.gz VQQPDPXSKJJEAD-UHFFFAOYSA-N -2 3 292.382 1.698 10 0 CDAEHL Cc1ccc(Cc2c(C)nc3[n-]c(C(=O)[O-])nn3c2=O)cc1 ZINC000008550187 170339524 /nfs/dbraw/zinc/33/95/24/170339524.db2.gz VVFUTFLUVCNEDE-UHFFFAOYSA-N -2 3 298.302 1.323 10 0 CDAEHL COc1ccc([O-])c(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c1 ZINC000659209707 413610731 /nfs/dbraw/zinc/61/07/31/413610731.db2.gz PHKAONXOILGEDT-SNVBAGLBSA-N -2 3 293.319 1.632 10 0 CDAEHL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)CO1 ZINC000040578301 174343190 /nfs/dbraw/zinc/34/31/90/174343190.db2.gz WOMLYJLCKWRZRQ-IUCAKERBSA-N -2 3 294.307 1.732 10 0 CDAEHL O=C([O-])[C@@]1(NC(=O)c2cccc([O-])c2)CCSC1 ZINC000043503442 175059337 /nfs/dbraw/zinc/05/93/37/175059337.db2.gz FGQCDQHYLPYMLQ-GFCCVEGCSA-N -2 3 267.306 1.082 10 0 CDAEHL O=C([O-])[C@H]1CCCN1c1nc(-c2ccccc2)cc(=O)[n-]1 ZINC000045946975 175387748 /nfs/dbraw/zinc/38/77/48/175387748.db2.gz KLYLYAWXXKOMFV-GFCCVEGCSA-N -2 3 285.303 1.490 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000071234938 176092941 /nfs/dbraw/zinc/09/29/41/176092941.db2.gz USBSVBCGKDKOGZ-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL CCOC(=O)c1c[n-]n2c1nc([O-])c(C1CCCC1)c2=O ZINC000071474660 176186296 /nfs/dbraw/zinc/18/62/96/176186296.db2.gz VIRMLTVLFRUMCY-UHFFFAOYSA-N -2 3 291.307 1.975 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])C1CC1 ZINC000570800745 294310826 /nfs/dbraw/zinc/31/08/26/294310826.db2.gz YZTUEEIOEGOVQA-CYBMUJFWSA-N -2 3 285.365 1.867 10 0 CDAEHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000233861126 482980988 /nfs/dbraw/zinc/98/09/88/482980988.db2.gz YZUXPDXTRIBVLJ-MUWHJKNJSA-N -2 3 292.382 1.229 10 0 CDAEHL C[C@@H]1CCC[C@H](n2c(=O)[n-]nc2SCC(=O)[O-])[C@@H]1C ZINC000061591856 524413580 /nfs/dbraw/zinc/41/35/80/524413580.db2.gz RTMFDQBHYNHVEA-HLTSFMKQSA-N -2 3 285.369 1.745 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC[C@H]2CCOC2)c([O-])c1 ZINC000061147954 526376223 /nfs/dbraw/zinc/37/62/23/526376223.db2.gz IGZGFPUAAUPERM-MRVPVSSYSA-N -2 3 280.280 1.248 10 0 CDAEHL O=C([O-])c1nn(-c2cc(F)c(F)cc2F)cc1[O-] ZINC000061094643 526410232 /nfs/dbraw/zinc/41/02/32/526410232.db2.gz NRMXYPPPNJJDKE-UHFFFAOYSA-N -2 3 258.155 1.693 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1ccccc1C=CC(=O)[O-] ZINC000061593252 527020562 /nfs/dbraw/zinc/02/05/62/527020562.db2.gz WPUAVZISFFNKKG-VOTSOKGWSA-N -2 3 291.332 1.499 10 0 CDAEHL CS[C@H](C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993991 683224382 /nfs/dbraw/zinc/22/43/82/683224382.db2.gz QIXGKSRULKMKQF-ZCFIWIBFSA-N -2 3 279.339 1.008 10 0 CDAEHL CCOC(=O)c1ncc(NC(=O)c2ncc(C)cc2[O-])[n-]1 ZINC000619449703 349720992 /nfs/dbraw/zinc/72/09/92/349720992.db2.gz RNVMEBLPBCSQTH-UHFFFAOYSA-N -2 3 290.279 1.248 10 0 CDAEHL CCOC(=O)c1nc(NC(=O)c2ncc(C)cc2[O-])c[n-]1 ZINC000619449703 349720994 /nfs/dbraw/zinc/72/09/94/349720994.db2.gz RNVMEBLPBCSQTH-UHFFFAOYSA-N -2 3 290.279 1.248 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c1 ZINC000147296797 362418064 /nfs/dbraw/zinc/41/80/64/362418064.db2.gz KTFGLRPICYDOOJ-SECBINFHSA-N -2 3 289.328 1.523 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])o1 ZINC000565056257 370341553 /nfs/dbraw/zinc/34/15/53/370341553.db2.gz WFVBZBPUGARJDI-CABZTGNLSA-N -2 3 287.337 1.510 10 0 CDAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c([O-])cccc1F ZINC000526959615 391236601 /nfs/dbraw/zinc/23/66/01/391236601.db2.gz OGFKVYJPVZYFCX-NSHDSACASA-N -2 3 291.282 1.780 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])C1CC1 ZINC000574157652 392530887 /nfs/dbraw/zinc/53/08/87/392530887.db2.gz HGAWYHPUFWELDZ-CYBMUJFWSA-N -2 3 285.365 1.867 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCCC1 ZINC000645967941 393439288 /nfs/dbraw/zinc/43/92/88/393439288.db2.gz DLNAFEAFFKVGPY-MRVPVSSYSA-N -2 3 287.337 1.835 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccoc1 ZINC000334364948 149520169 /nfs/dbraw/zinc/52/01/69/149520169.db2.gz NNPOAERLYMFLSH-UHFFFAOYSA-N -2 3 257.242 1.925 10 0 CDAEHL Cc1nc(CC2CCCCC2)[n-]c(=O)c1C(=O)[O-] ZINC000020252594 171104843 /nfs/dbraw/zinc/10/48/43/171104843.db2.gz NWIJHPGDVYUZRL-UHFFFAOYSA-N -2 3 250.298 1.899 10 0 CDAEHL Cc1cc(CS(=O)(=O)[N-]c2ccccc2[O-])no1 ZINC000020258038 171113312 /nfs/dbraw/zinc/11/33/12/171113312.db2.gz HHWRUMFZMSGALA-UHFFFAOYSA-N -2 3 268.294 1.631 10 0 CDAEHL Cc1n[n-]c(=S)n1-c1ccc2c(c1)C(=O)[N-]C2=O ZINC000020588505 171259746 /nfs/dbraw/zinc/25/97/46/171259746.db2.gz LSCJSINCOJYAEC-UHFFFAOYSA-N -2 3 260.278 1.122 10 0 CDAEHL C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000040726056 174387237 /nfs/dbraw/zinc/38/72/37/174387237.db2.gz NIRNQUXMCNDURJ-MRVPVSSYSA-N -2 3 264.281 1.964 10 0 CDAEHL COc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000234973222 280125954 /nfs/dbraw/zinc/12/59/54/280125954.db2.gz DUBVYWOMSFZWEX-BXKDBHETSA-N -2 3 293.319 1.726 10 0 CDAEHL COc1cc(=NC(=O)c2cc(F)cc(Cl)c2[O-])[n-]n1C ZINC000547861866 289816938 /nfs/dbraw/zinc/81/69/38/289816938.db2.gz MAWAXMKBMJYSPI-UHFFFAOYSA-N -2 3 299.689 1.601 10 0 CDAEHL CCN(C(=O)c1ccc([O-])cc1)C(C)(C)C(=O)[O-] ZINC000061148946 520087975 /nfs/dbraw/zinc/08/79/75/520087975.db2.gz XOWAVGGXSRADSG-UHFFFAOYSA-N -2 3 251.282 1.718 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000061215228 521196832 /nfs/dbraw/zinc/19/68/32/521196832.db2.gz NQFBRGTUCYGGIW-SNVBAGLBSA-N -2 3 265.309 1.883 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000061215196 521198703 /nfs/dbraw/zinc/19/87/03/521198703.db2.gz DZYBAHJKNVYSGI-SECBINFHSA-N -2 3 281.308 1.584 10 0 CDAEHL CCn1c(=O)[n-]nc1SCc1ccoc1C(=O)[O-] ZINC000060059716 523093731 /nfs/dbraw/zinc/09/37/31/523093731.db2.gz BKEFXOMEXIEWHN-UHFFFAOYSA-N -2 3 269.282 1.175 10 0 CDAEHL Cc1ccc(C=CS(=O)(=O)[N-]c2nc[n-]n2)cc1 ZINC000733732095 575137247 /nfs/dbraw/zinc/13/72/47/575137247.db2.gz WPMPHTDNRFWBFZ-SREVYHEPSA-N -2 3 264.310 1.526 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CC=CC2)o1 ZINC000724166502 688138732 /nfs/dbraw/zinc/13/87/32/688138732.db2.gz DXLYOBVBGVPOLF-UHFFFAOYSA-N -2 3 285.321 1.612 10 0 CDAEHL CC1CC([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871993330 1165371153 /nfs/dbraw/zinc/37/11/53/1165371153.db2.gz IBQYUCCCXVFUJV-UHFFFAOYSA-N -2 3 259.283 1.055 10 0 CDAEHL O=C(NCCc1n[n-]c(=S)o1)c1cc([O-])ccc1Cl ZINC001625689385 1165921979 /nfs/dbraw/zinc/92/19/79/1165921979.db2.gz LDMNSKCRGCGLKN-UHFFFAOYSA-N -2 3 299.739 1.690 10 0 CDAEHL CC(C)CN(Cc1nn[n-]n1)C(=O)c1c([O-])cccc1F ZINC001455320420 968678413 /nfs/dbraw/zinc/67/84/13/968678413.db2.gz HYPHRYUPMQGWJL-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL CC(C)(C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC000104232902 185938033 /nfs/dbraw/zinc/93/80/33/185938033.db2.gz WISNDYORFZDKJS-UHFFFAOYSA-N -2 3 258.299 1.320 10 0 CDAEHL C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)CC(=O)[O-] ZINC000147247643 295971265 /nfs/dbraw/zinc/97/12/65/295971265.db2.gz PDSXDULYZRXCFE-SSDOTTSWSA-N -2 3 293.291 1.354 10 0 CDAEHL CCc1ncc(S(=O)(=O)[N-]Cc2ncccc2[O-])s1 ZINC000360013218 368076413 /nfs/dbraw/zinc/07/64/13/368076413.db2.gz ZMHSOGZXFYZRRA-UHFFFAOYSA-N -2 3 299.377 1.285 10 0 CDAEHL CSCC[C@H](NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000005662239 170124979 /nfs/dbraw/zinc/12/49/79/170124979.db2.gz AYWKSGHXFGRLHP-JTQLQIEISA-N -2 3 269.322 1.328 10 0 CDAEHL O=C([O-])c1cc(Cl)ccc1NC(=O)c1cnn[n-]1 ZINC000071215042 176086065 /nfs/dbraw/zinc/08/60/65/176086065.db2.gz WBJXXPSDMZIOCR-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1cc(Cl)ccc1NC(=O)c1c[n-]nn1 ZINC000071215042 176086066 /nfs/dbraw/zinc/08/60/66/176086066.db2.gz WBJXXPSDMZIOCR-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1cc(Cl)ccc1NC(=O)c1cn[n-]n1 ZINC000071215042 176086068 /nfs/dbraw/zinc/08/60/68/176086068.db2.gz WBJXXPSDMZIOCR-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c1F ZINC000313222428 424374574 /nfs/dbraw/zinc/37/45/74/424374574.db2.gz WWWWYHZYFXRUFY-DTWKUNHWSA-N -2 3 289.328 1.522 10 0 CDAEHL Cc1cnc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c([O-])c1 ZINC000680848070 482586408 /nfs/dbraw/zinc/58/64/08/482586408.db2.gz JRDMYQGUCAXHAG-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL Cc1cnc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c([O-])c1 ZINC000680848070 482586410 /nfs/dbraw/zinc/58/64/10/482586410.db2.gz JRDMYQGUCAXHAG-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL Cc1cnc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c([O-])c1 ZINC000680848070 482586413 /nfs/dbraw/zinc/58/64/13/482586413.db2.gz JRDMYQGUCAXHAG-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL CCCCC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021518099 520227214 /nfs/dbraw/zinc/22/72/14/520227214.db2.gz BZSBTRMOWWMSFJ-UHFFFAOYSA-N -2 3 291.394 1.844 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000061215197 521246146 /nfs/dbraw/zinc/24/61/46/521246146.db2.gz DZYBAHJKNVYSGI-VIFPVBQESA-N -2 3 281.308 1.584 10 0 CDAEHL CCCCc1ccc(CC(=O)[N-]OCC(=O)[O-])cc1 ZINC000069073226 521272734 /nfs/dbraw/zinc/27/27/34/521272734.db2.gz TYZXAJBVWQIGSQ-UHFFFAOYSA-N -2 3 265.309 1.704 10 0 CDAEHL CCn1c(=O)[n-]nc1SCc1ccc(C(=O)[O-])cc1F ZINC000062767204 523095013 /nfs/dbraw/zinc/09/50/13/523095013.db2.gz JYJGILKHXIEDDE-UHFFFAOYSA-N -2 3 297.311 1.721 10 0 CDAEHL Cc1ccc(F)cc1-c1nc(C)c(C(=O)[O-])c(=O)[n-]1 ZINC000062665829 524836929 /nfs/dbraw/zinc/83/69/29/524836929.db2.gz QNWWXUSIWXWMBJ-UHFFFAOYSA-N -2 3 262.240 1.891 10 0 CDAEHL C[C@H]1[C@H](n2c(=O)[n-]nc2SCC(=O)[O-])CCC[C@@H]1C ZINC000061591859 525115251 /nfs/dbraw/zinc/11/52/51/525115251.db2.gz RTMFDQBHYNHVEA-DJLDLDEBSA-N -2 3 285.369 1.745 10 0 CDAEHL Cc1ccccc1OCCCC(=O)[N-]OCC(=O)[O-] ZINC000069073260 525284641 /nfs/dbraw/zinc/28/46/41/525284641.db2.gz BCAMMKAACNTCGG-UHFFFAOYSA-N -2 3 267.281 1.286 10 0 CDAEHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000903029224 625805722 /nfs/dbraw/zinc/80/57/22/625805722.db2.gz HBRGCXXTZXJWMH-SNVBAGLBSA-N -2 3 287.337 1.591 10 0 CDAEHL COc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC000864211949 692499253 /nfs/dbraw/zinc/49/92/53/692499253.db2.gz NXCDZYSWMZXCJY-IQMYEBEASA-N -2 3 291.303 1.384 10 0 CDAEHL CC(C)C[C@H](C[N-]S(=O)(=O)C(F)F)CC(=O)[O-] ZINC000088273777 896289632 /nfs/dbraw/zinc/28/96/32/896289632.db2.gz DWUQPJHPXMNPTG-ZETCQYMHSA-N -2 3 273.301 1.265 10 0 CDAEHL O=C(NCc1n[nH]c(=O)[n-]1)c1cc2c(cc1[O-])CCCC2 ZINC000436573135 361533355 /nfs/dbraw/zinc/53/33/55/361533355.db2.gz HFSHRLNRZVULOL-UHFFFAOYSA-N -2 3 288.307 1.025 10 0 CDAEHL COc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])c([O-])c1 ZINC000070310772 374660538 /nfs/dbraw/zinc/66/05/38/374660538.db2.gz GCXCRPBKFUMUPV-MRVPVSSYSA-N -2 3 267.281 1.384 10 0 CDAEHL CSCC[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000005662242 170124968 /nfs/dbraw/zinc/12/49/68/170124968.db2.gz IXHPTNYDCBKMMN-VIFPVBQESA-N -2 3 269.322 1.328 10 0 CDAEHL O=C([O-])CCCCCNC(=O)c1ccc([O-])cc1 ZINC000005768226 170138843 /nfs/dbraw/zinc/13/88/43/170138843.db2.gz NLKDJUKQDQRPKD-UHFFFAOYSA-N -2 3 251.282 1.767 10 0 CDAEHL CCC1([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCC1 ZINC000663423577 414244427 /nfs/dbraw/zinc/24/44/27/414244427.db2.gz WMSMCQCBIUIPOG-UHFFFAOYSA-N -2 3 287.337 1.897 10 0 CDAEHL C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCO1 ZINC000040576402 174341602 /nfs/dbraw/zinc/34/16/02/174341602.db2.gz JVBQSADLCRMNFQ-PRHODGIISA-N -2 3 294.307 1.779 10 0 CDAEHL Cc1noc(CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])n1 ZINC000045012505 175290046 /nfs/dbraw/zinc/29/00/46/175290046.db2.gz DQENXGPGLRYLCW-UHFFFAOYSA-N -2 3 292.251 1.104 10 0 CDAEHL O=C([O-])CN(C(=O)c1cnn[n-]1)c1ccc(Cl)cc1 ZINC000071215093 176086281 /nfs/dbraw/zinc/08/62/81/176086281.db2.gz ULMYYGCBPOQNLE-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL O=C([O-])CN(C(=O)c1c[n-]nn1)c1ccc(Cl)cc1 ZINC000071215093 176086282 /nfs/dbraw/zinc/08/62/82/176086282.db2.gz ULMYYGCBPOQNLE-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL O=C([O-])CN(C(=O)c1cn[n-]n1)c1ccc(Cl)cc1 ZINC000071215093 176086283 /nfs/dbraw/zinc/08/62/83/176086283.db2.gz ULMYYGCBPOQNLE-UHFFFAOYSA-N -2 3 280.671 1.190 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])o1 ZINC000570285010 294209581 /nfs/dbraw/zinc/20/95/81/294209581.db2.gz QFQFOHUNEHUIDW-MRVPVSSYSA-N -2 3 289.353 1.756 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767181 519918962 /nfs/dbraw/zinc/91/89/62/519918962.db2.gz NFIGROQTAOYLPI-DTWKUNHWSA-N -2 3 285.369 1.888 10 0 CDAEHL Cc1ccccc1[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592057 525420365 /nfs/dbraw/zinc/42/03/65/525420365.db2.gz IECIYPIRQQEQGC-VIFPVBQESA-N -2 3 293.348 1.666 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CCCC1)c1ccccc1[O-] ZINC000095181377 538256673 /nfs/dbraw/zinc/25/66/73/538256673.db2.gz NRJXJHYCDSSJIV-UHFFFAOYSA-N -2 3 273.296 1.105 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CCCC1)c1ccccc1[O-] ZINC000095181377 538256679 /nfs/dbraw/zinc/25/66/79/538256679.db2.gz NRJXJHYCDSSJIV-UHFFFAOYSA-N -2 3 273.296 1.105 10 0 CDAEHL Cc1[n-][nH]c(=O)c1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918464068 632371292 /nfs/dbraw/zinc/37/12/92/632371292.db2.gz XHBGSJUJZBCZTI-SECBINFHSA-N -2 3 278.337 1.334 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1(C2CC2)CC1 ZINC000871992946 723725488 /nfs/dbraw/zinc/72/54/88/723725488.db2.gz AKYKEWWEIMDEKV-UHFFFAOYSA-N -2 3 285.321 1.446 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001362543443 971386162 /nfs/dbraw/zinc/38/61/62/971386162.db2.gz RQVPPCWBAWYLFF-VIFPVBQESA-N -2 3 291.286 1.064 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001362543443 971386171 /nfs/dbraw/zinc/38/61/71/971386171.db2.gz RQVPPCWBAWYLFF-VIFPVBQESA-N -2 3 291.286 1.064 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000133212817 342069945 /nfs/dbraw/zinc/06/99/45/342069945.db2.gz REEFSYITAGQFFN-DTWKUNHWSA-N -2 3 289.328 1.522 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC2(F)F)o1 ZINC000622039532 342226217 /nfs/dbraw/zinc/22/62/17/342226217.db2.gz ILYIIQDTACZKHI-ZCFIWIBFSA-N -2 3 295.263 1.301 10 0 CDAEHL CCn1cnc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000551906292 290024299 /nfs/dbraw/zinc/02/42/99/290024299.db2.gz CQZMQEDPDSVSAT-UHFFFAOYSA-N -2 3 285.300 1.549 10 0 CDAEHL Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000085321250 179015145 /nfs/dbraw/zinc/01/51/45/179015145.db2.gz IQVJZRDMMVSUKL-ONGXEEELSA-N -2 3 263.293 1.684 10 0 CDAEHL COc1cc(=NC(=O)c2ccc(C)cc2[O-])[n-]n1C ZINC000388369694 358168760 /nfs/dbraw/zinc/16/87/60/358168760.db2.gz KMQATEKZIMRYOZ-UHFFFAOYSA-N -2 3 261.281 1.117 10 0 CDAEHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000011755507 358872849 /nfs/dbraw/zinc/87/28/49/358872849.db2.gz WBYBQFUOFIZLAO-MUWHJKNJSA-N -2 3 290.341 1.069 10 0 CDAEHL S=c1[n-]nc(-c2ncsc2Br)[n-]1 ZINC000575577073 361180936 /nfs/dbraw/zinc/18/09/36/361180936.db2.gz DONGMEWSIIRQOX-UHFFFAOYSA-N -2 3 263.145 1.979 10 0 CDAEHL Cc1n[n-]cc1C(=O)N=c1nc(C2CCOCC2)[n-]s1 ZINC000629099308 361517496 /nfs/dbraw/zinc/51/74/96/361517496.db2.gz AJJQDTYHMUWVBG-UHFFFAOYSA-N -2 3 293.352 1.138 10 0 CDAEHL Nc1cc(C(=O)[O-])cc([O-])c1I ZINC000149378729 364564433 /nfs/dbraw/zinc/56/44/33/364564433.db2.gz WANPGXBWJLPWTM-UHFFFAOYSA-N -2 3 279.033 1.277 10 0 CDAEHL COCC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000081719704 177844903 /nfs/dbraw/zinc/84/49/03/177844903.db2.gz NPQMGJYASXIVQK-MRVPVSSYSA-N -2 3 282.296 1.637 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1)C1CC1 ZINC000035140605 172008268 /nfs/dbraw/zinc/00/82/68/172008268.db2.gz IHQRLWHPOCYRDD-ZETCQYMHSA-N -2 3 289.378 1.452 10 0 CDAEHL COc1ccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000663154261 414008755 /nfs/dbraw/zinc/00/87/55/414008755.db2.gz YKOQGXHZXCNQRZ-GFCCVEGCSA-N -2 3 293.319 1.632 10 0 CDAEHL O=C([O-])C1CCC(NC(=O)c2ccc([O-])cc2)CC1 ZINC000037561567 173271584 /nfs/dbraw/zinc/27/15/84/173271584.db2.gz AFICDWRXBSCODW-UHFFFAOYSA-N -2 3 263.293 1.765 10 0 CDAEHL O=C([O-])c1cc(NC(=O)c2cnn[n-]2)c(F)cc1F ZINC000071215098 176086336 /nfs/dbraw/zinc/08/63/36/176086336.db2.gz CWPQUIVQXJJQFN-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL O=C([O-])c1cc(NC(=O)c2c[n-]nn2)c(F)cc1F ZINC000071215098 176086337 /nfs/dbraw/zinc/08/63/37/176086337.db2.gz CWPQUIVQXJJQFN-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL O=C([O-])c1cc(NC(=O)c2cn[n-]n2)c(F)cc1F ZINC000071215098 176086339 /nfs/dbraw/zinc/08/63/39/176086339.db2.gz CWPQUIVQXJJQFN-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL COc1ccc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c([O-])c1 ZINC000653318391 424564610 /nfs/dbraw/zinc/56/46/10/424564610.db2.gz IAUMRHUCCIUFOT-KWQFWETISA-N -2 3 279.292 1.479 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)CC(=O)[O-] ZINC000576948436 317236977 /nfs/dbraw/zinc/23/69/77/317236977.db2.gz YCIRMPMBTDNTTN-VIFPVBQESA-N -2 3 275.326 1.367 10 0 CDAEHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cccc([O-])c1 ZINC000679634817 483401321 /nfs/dbraw/zinc/40/13/21/483401321.db2.gz VXKQDTNYBSEDSV-UHFFFAOYSA-N -2 3 297.270 1.988 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062767142 521616119 /nfs/dbraw/zinc/61/61/19/521616119.db2.gz LMWRMSFHMYXRRH-JGVFFNPUSA-N -2 3 271.342 1.327 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1 ZINC000061593819 523097141 /nfs/dbraw/zinc/09/71/41/523097141.db2.gz JWCWTXGKPRXHPV-UHFFFAOYSA-N -2 3 265.294 1.441 10 0 CDAEHL COc1cncc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000337170034 524928039 /nfs/dbraw/zinc/92/80/39/524928039.db2.gz DVSDMRABPMMTBW-UHFFFAOYSA-N -2 3 298.295 1.736 10 0 CDAEHL Cc1cc(=O)[n-]c([C@@H](C)Sc2n[nH]c(=O)[n-]2)n1 ZINC000187640780 525348423 /nfs/dbraw/zinc/34/84/23/525348423.db2.gz ISXLQYCWEJHAEG-RXMQYKEDSA-N -2 3 253.287 1.168 10 0 CDAEHL O=C([O-])C12CC(C1)CN2C(=O)NCc1ccc([O-])c(F)c1 ZINC000909048074 628490186 /nfs/dbraw/zinc/49/01/86/628490186.db2.gz LLFZVAWRPMDUTM-UHFFFAOYSA-N -2 3 294.282 1.290 10 0 CDAEHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc2n[n-]c(=S)n2c1 ZINC001637953483 1166806509 /nfs/dbraw/zinc/80/65/09/1166806509.db2.gz ZQMBNODWCSHPLL-UHFFFAOYSA-N -2 3 290.308 1.007 10 0 CDAEHL Cc1cccc(CO[N-]C(=O)C(=O)c2ccc([O-])cc2)n1 ZINC001647930995 1169080418 /nfs/dbraw/zinc/08/04/18/1169080418.db2.gz LSLLFEZHEBLNQJ-UHFFFAOYSA-N -2 3 286.287 1.526 10 0 CDAEHL Cc1cnc(C(=O)N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c([O-])c1 ZINC001412299230 932367080 /nfs/dbraw/zinc/36/70/80/932367080.db2.gz NICXWBAZIOMNTP-SECBINFHSA-N -2 3 288.307 1.154 10 0 CDAEHL CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124644573 187147194 /nfs/dbraw/zinc/14/71/94/187147194.db2.gz WDXSBQFUTCOYHK-UHFFFAOYSA-N -2 3 259.283 1.242 10 0 CDAEHL Cc1noc(=NC(=O)c2cc([O-])c3ccccc3c2)[n-]1 ZINC000352453347 539096347 /nfs/dbraw/zinc/09/63/47/539096347.db2.gz MQLUKVHUZPSTIZ-UHFFFAOYSA-N -2 3 269.260 1.911 10 0 CDAEHL CCc1cc(=NC(=O)c2c([O-])cc(F)cc2F)[n-]o1 ZINC000606933293 345107691 /nfs/dbraw/zinc/10/76/91/345107691.db2.gz CWLCNTVKQQHYPG-UHFFFAOYSA-N -2 3 268.219 1.895 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000085323347 179016802 /nfs/dbraw/zinc/01/68/02/179016802.db2.gz XFUHQJDGGDLURT-ONGXEEELSA-N -2 3 263.293 1.765 10 0 CDAEHL CO[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000290670903 369999080 /nfs/dbraw/zinc/99/90/80/369999080.db2.gz OYPAWHZSIFEQBO-RNFRBKRXSA-N -2 3 293.366 1.148 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000656162065 413065288 /nfs/dbraw/zinc/06/52/88/413065288.db2.gz AODVUNFLGAKLGF-VIFPVBQESA-N -2 3 293.291 1.225 10 0 CDAEHL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000663042014 413854320 /nfs/dbraw/zinc/85/43/20/413854320.db2.gz MWGXULXGEPGFDP-JTQLQIEISA-N -2 3 266.297 1.150 10 0 CDAEHL C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000040726058 174387267 /nfs/dbraw/zinc/38/72/67/174387267.db2.gz NIRNQUXMCNDURJ-QMMMGPOBSA-N -2 3 264.281 1.964 10 0 CDAEHL Cc1nc(C(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)no1 ZINC000071382394 176146249 /nfs/dbraw/zinc/14/62/49/176146249.db2.gz IHJFVUDENVTTRH-UHFFFAOYSA-N -2 3 283.190 1.607 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767226 523094281 /nfs/dbraw/zinc/09/42/81/523094281.db2.gz KQJRPSDDTBTUIE-XHNCKOQMSA-N -2 3 285.369 1.573 10 0 CDAEHL C[C@H](Cc1ccco1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591966 524748260 /nfs/dbraw/zinc/74/82/60/524748260.db2.gz XMPKBAULQJQGGS-SSDOTTSWSA-N -2 3 283.309 1.145 10 0 CDAEHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000817419642 729890460 /nfs/dbraw/zinc/89/04/60/729890460.db2.gz FPWNUTCOYJNDKI-ZCFIWIBFSA-N -2 3 259.274 1.162 10 0 CDAEHL CC[C@@H](CSC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993003 1165371055 /nfs/dbraw/zinc/37/10/55/1165371055.db2.gz CTEAIGQXLOFNLB-ZETCQYMHSA-N -2 3 293.366 1.398 10 0 CDAEHL CCOc1nnc(NC(=O)c2cccc(Cl)c2[O-])[n-]1 ZINC001413438457 936042205 /nfs/dbraw/zinc/04/22/05/936042205.db2.gz SNNPVYNUJJNBIU-UHFFFAOYSA-N -2 3 282.687 1.815 10 0 CDAEHL CCOc1nc(NC(=O)c2cccc(Cl)c2[O-])n[n-]1 ZINC001413438457 936042208 /nfs/dbraw/zinc/04/22/08/936042208.db2.gz SNNPVYNUJJNBIU-UHFFFAOYSA-N -2 3 282.687 1.815 10 0 CDAEHL CCOc1n[n-]c(NC(=O)c2cccc(Cl)c2[O-])n1 ZINC001413438457 936042211 /nfs/dbraw/zinc/04/22/11/936042211.db2.gz SNNPVYNUJJNBIU-UHFFFAOYSA-N -2 3 282.687 1.815 10 0 CDAEHL COc1nc([N-]C(=O)c2nnc(C(C)C)s2)n[n-]1 ZINC001466101015 969923214 /nfs/dbraw/zinc/92/32/14/969923214.db2.gz BWSCGTWCYGAQTJ-UHFFFAOYSA-N -2 3 268.302 1.041 10 0 CDAEHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)CO1 ZINC000629292292 361814930 /nfs/dbraw/zinc/81/49/30/361814930.db2.gz GKNRSXUEFMWYEJ-LLVKDONJSA-N -2 3 299.348 1.694 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(C(C)C)no2)n[n-]1 ZINC000271263779 191036122 /nfs/dbraw/zinc/03/61/22/191036122.db2.gz KCOWQMGXDNJNNN-UHFFFAOYSA-N -2 3 251.246 1.177 10 0 CDAEHL CN(Cc1ncc(C(=O)[O-])c(=O)[n-]1)C(=O)OC(C)(C)C ZINC000584882453 356667176 /nfs/dbraw/zinc/66/71/76/356667176.db2.gz JDMQGPYYCHDOCW-UHFFFAOYSA-N -2 3 283.284 1.247 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC000566070302 370598962 /nfs/dbraw/zinc/59/89/62/370598962.db2.gz LNMJNAQJOKXSJM-VIFPVBQESA-N -2 3 275.326 1.366 10 0 CDAEHL O=C([O-])[C@H](CNC(=O)c1ccccc1[O-])C1CCC1 ZINC000663151514 414002689 /nfs/dbraw/zinc/00/26/89/414002689.db2.gz DCMCQTFEKDBICL-LLVKDONJSA-N -2 3 263.293 1.623 10 0 CDAEHL CC[C@@H](C)NCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483703 174286862 /nfs/dbraw/zinc/28/68/62/174286862.db2.gz GTIJSTNTOOHQBU-MRVPVSSYSA-N -2 3 294.307 1.410 10 0 CDAEHL CC(C)(C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483714 174286935 /nfs/dbraw/zinc/28/69/35/174286935.db2.gz RSTLHSFRAIAJHH-SNVBAGLBSA-N -2 3 294.307 1.395 10 0 CDAEHL CC(C)(C)C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000040493883 174293132 /nfs/dbraw/zinc/29/31/32/174293132.db2.gz ABTAABUQMBDLFE-UHFFFAOYSA-N -2 3 291.394 1.700 10 0 CDAEHL O=C([O-])[C@@]1(C(=O)NCc2ncccc2[O-])CC=CCC1 ZINC000653285118 424358502 /nfs/dbraw/zinc/35/85/02/424358502.db2.gz DGFWQXJSAQDTLE-AWEZNQCLSA-N -2 3 276.292 1.215 10 0 CDAEHL CC1(c2nc(=NC(=O)Cc3cncc([O-])c3)s[n-]2)CC1 ZINC000529696652 271013267 /nfs/dbraw/zinc/01/32/67/271013267.db2.gz JRCRZRSGVBZDIQ-UHFFFAOYSA-N -2 3 290.348 1.293 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)C1CC1 ZINC000574274731 294975441 /nfs/dbraw/zinc/97/54/41/294975441.db2.gz QPHGPTNYRCFJKA-GFCCVEGCSA-N -2 3 299.348 1.552 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1F ZINC000061608405 523096906 /nfs/dbraw/zinc/09/69/06/523096906.db2.gz QNUHELWZQCTZTM-UHFFFAOYSA-N -2 3 283.284 1.580 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])sc1Cl ZINC000304000845 733041266 /nfs/dbraw/zinc/04/12/66/733041266.db2.gz MGHUBXWIDRZLPA-NSCUHMNNSA-N -2 3 295.769 1.629 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H](C)C(=O)[O-] ZINC000133282867 342070021 /nfs/dbraw/zinc/07/00/21/342070021.db2.gz BAQBCEJGUCMFDV-BQBZGAKWSA-N -2 3 293.291 1.352 10 0 CDAEHL C/C=C\C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000629343650 361848403 /nfs/dbraw/zinc/84/84/03/361848403.db2.gz ZCPTYIZCFLHYIB-ARJAWSKDSA-N -2 3 259.283 1.141 10 0 CDAEHL CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc([O-])c(F)c1 ZINC000085415715 179058806 /nfs/dbraw/zinc/05/88/06/179058806.db2.gz HASNKUVWUUSWBA-UWVGGRQHSA-N -2 3 267.256 1.827 10 0 CDAEHL CO[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@](C)(C(=O)[O-])C1 ZINC000630308939 368690967 /nfs/dbraw/zinc/69/09/67/368690967.db2.gz GBPWKFKLNYJCKA-BONVTDFDSA-N -2 3 293.319 1.405 10 0 CDAEHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])CC2CC2)n1 ZINC000650510692 398024780 /nfs/dbraw/zinc/02/47/80/398024780.db2.gz MLGNZVCUDDBBBS-UHFFFAOYSA-N -2 3 265.313 1.041 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000352518522 155245493 /nfs/dbraw/zinc/24/54/93/155245493.db2.gz XXJXBKBGROTUOB-UHFFFAOYSA-N -2 3 295.298 1.559 10 0 CDAEHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000663042015 413853772 /nfs/dbraw/zinc/85/37/72/413853772.db2.gz MWGXULXGEPGFDP-SNVBAGLBSA-N -2 3 266.297 1.150 10 0 CDAEHL CCC[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483691 174287141 /nfs/dbraw/zinc/28/71/41/174287141.db2.gz DUBRBJDLRJHXML-JTQLQIEISA-N -2 3 280.280 1.149 10 0 CDAEHL CCOCCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040557024 174331357 /nfs/dbraw/zinc/33/13/57/174331357.db2.gz OATLTMOARSENTP-UHFFFAOYSA-N -2 3 282.296 1.639 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)o1 ZINC000572649854 294666849 /nfs/dbraw/zinc/66/68/49/294666849.db2.gz GUAWSFPPKVFBIP-UHFFFAOYSA-N -2 3 273.310 1.121 10 0 CDAEHL COc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c([O-])c1 ZINC000910851771 618538666 /nfs/dbraw/zinc/53/86/66/618538666.db2.gz PFGRWQLEJJTTFO-NDMJEZRESA-N -2 3 291.303 1.194 10 0 CDAEHL C[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000147280819 618741064 /nfs/dbraw/zinc/74/10/64/618741064.db2.gz RNCYBUZEYKURDQ-SSDOTTSWSA-N -2 3 292.744 1.124 10 0 CDAEHL CCN(CC(=O)[O-])C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908954005 628447190 /nfs/dbraw/zinc/44/71/90/628447190.db2.gz BDHLIMBWXKTPKJ-UHFFFAOYSA-N -2 3 291.225 1.958 10 0 CDAEHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871992829 733825871 /nfs/dbraw/zinc/82/58/71/733825871.db2.gz FGOCNKJXDUGZEN-DTWKUNHWSA-N -2 3 287.337 1.835 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000871993110 734519896 /nfs/dbraw/zinc/51/98/96/734519896.db2.gz KHOQAFZILRREAX-VIFPVBQESA-N -2 3 285.321 1.612 10 0 CDAEHL Cc1ccc([O-])c(C(=O)NC2(c3nnn[n-]3)CCCC2)c1 ZINC000095332238 539042128 /nfs/dbraw/zinc/04/21/28/539042128.db2.gz NCQQBKNNWFATBU-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL Cc1ccc([O-])c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000095332238 539042129 /nfs/dbraw/zinc/04/21/29/539042129.db2.gz NCQQBKNNWFATBU-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL O=c1cc(CCc2cccc(OC(F)F)c2)[n-]nc1[O-] ZINC000205744002 342440011 /nfs/dbraw/zinc/44/00/11/342440011.db2.gz RYDQZNLCQTYDGQ-UHFFFAOYSA-N -2 3 282.246 1.450 10 0 CDAEHL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc([O-])c(F)c1 ZINC000085415717 179058706 /nfs/dbraw/zinc/05/87/06/179058706.db2.gz HASNKUVWUUSWBA-ZJUUUORDSA-N -2 3 267.256 1.827 10 0 CDAEHL CC1(C)[C@H](C(=O)Nc2ccc([O-])c(F)c2)[C@@H]1C(=O)[O-] ZINC000085415711 179058747 /nfs/dbraw/zinc/05/87/47/179058747.db2.gz HASNKUVWUUSWBA-VHSXEESVSA-N -2 3 267.256 1.827 10 0 CDAEHL CC1(C(=O)[O-])CCN(C(=O)c2ccccc2[O-])CC1 ZINC000062842023 413019976 /nfs/dbraw/zinc/01/99/76/413019976.db2.gz DACHUTQMBJSZBK-UHFFFAOYSA-N -2 3 263.293 1.719 10 0 CDAEHL CCO[C@H](C)c1ncc(C(=O)[N-]c2n[n-]c(OC)n2)s1 ZINC000352635829 155317560 /nfs/dbraw/zinc/31/75/60/155317560.db2.gz DTBNGRSZQLKETC-ZCFIWIBFSA-N -2 3 297.340 1.620 10 0 CDAEHL COc1nc([N-]C(=O)c2cnc([C@H]3CCCO3)s2)n[n-]1 ZINC000352648466 155323988 /nfs/dbraw/zinc/32/39/88/155323988.db2.gz ULVJNANRTLQHDP-ZCFIWIBFSA-N -2 3 295.324 1.374 10 0 CDAEHL Cc1nnc([N-]c2cnn(C(C)(C)C(=O)[O-])c2)s1 ZINC000662895339 413671885 /nfs/dbraw/zinc/67/18/85/413671885.db2.gz JKRMPXHMNGWOEM-UHFFFAOYSA-N -2 3 267.314 1.606 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC2CCC(O)CC2)c([O-])c1 ZINC000040548839 174326281 /nfs/dbraw/zinc/32/62/81/174326281.db2.gz HJXWRTCULKFRRI-UHFFFAOYSA-N -2 3 294.307 1.515 10 0 CDAEHL COc1cc(=NC(=O)c2cc(C)cc(OC)c2[O-])[n-]n1C ZINC000548517835 289897758 /nfs/dbraw/zinc/89/77/58/289897758.db2.gz VGWYYKCYVAKOFF-UHFFFAOYSA-N -2 3 291.307 1.126 10 0 CDAEHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000578898248 324054067 /nfs/dbraw/zinc/05/40/67/324054067.db2.gz SCMRYBZUNLEDNH-JTQLQIEISA-N -2 3 289.353 1.756 10 0 CDAEHL CSC[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994265 736640434 /nfs/dbraw/zinc/64/04/34/736640434.db2.gz STIGDDOSMDDDBG-ZCFIWIBFSA-N -2 3 279.339 1.008 10 0 CDAEHL COc1nnc(NC(=O)c2cccc(Cl)c2[O-])[n-]1 ZINC000778957071 737795931 /nfs/dbraw/zinc/79/59/31/737795931.db2.gz YWLZBODXLXBMCQ-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL COc1nc(NC(=O)c2cccc(Cl)c2[O-])n[n-]1 ZINC000778957071 737795936 /nfs/dbraw/zinc/79/59/36/737795936.db2.gz YWLZBODXLXBMCQ-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cccc(Cl)c2[O-])n1 ZINC000778957071 737795941 /nfs/dbraw/zinc/79/59/41/737795941.db2.gz YWLZBODXLXBMCQ-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@@H](C)C(=O)[O-] ZINC000133196713 738816611 /nfs/dbraw/zinc/81/66/11/738816611.db2.gz VIMGFRRFQZHEIX-RNFRBKRXSA-N -2 3 292.744 1.123 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1sccc1F ZINC001301574806 955961089 /nfs/dbraw/zinc/96/10/89/955961089.db2.gz BFULMQKJQPCJQV-UHFFFAOYSA-N -2 3 269.257 1.018 10 0 CDAEHL CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000034937902 364184049 /nfs/dbraw/zinc/18/40/49/364184049.db2.gz IWPLCZXVCFRUIQ-QMMMGPOBSA-N -2 3 291.394 1.698 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)o1 ZINC000582244729 364841273 /nfs/dbraw/zinc/84/12/73/364841273.db2.gz MFLCWEGHGRQLHB-ZETCQYMHSA-N -2 3 297.279 1.222 10 0 CDAEHL COc1cc(=NC(=O)c2cc(F)c([O-])c(F)c2)[n-]n1C ZINC000548144338 369768814 /nfs/dbraw/zinc/76/88/14/369768814.db2.gz JSMUPNCEFAJYCF-UHFFFAOYSA-N -2 3 283.234 1.087 10 0 CDAEHL CCc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])s1 ZINC000656162720 413064700 /nfs/dbraw/zinc/06/47/00/413064700.db2.gz HOUDPGRUTJPSBQ-MRVPVSSYSA-N -2 3 295.357 1.402 10 0 CDAEHL CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl ZINC000035659992 172337070 /nfs/dbraw/zinc/33/70/70/172337070.db2.gz UZODQSPCWCDSAB-UHFFFAOYSA-N -2 3 298.147 1.990 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000071171289 176051531 /nfs/dbraw/zinc/05/15/31/176051531.db2.gz CICVTSKJIHNSMS-UHFFFAOYSA-N -2 3 287.337 1.471 10 0 CDAEHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000567617879 293821600 /nfs/dbraw/zinc/82/16/00/293821600.db2.gz YEJLEGQIAVGTQW-MRVPVSSYSA-N -2 3 293.366 1.073 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1occc1C(=O)[O-] ZINC000061593733 519917800 /nfs/dbraw/zinc/91/78/00/519917800.db2.gz MKEQDEXJDDDSEH-UHFFFAOYSA-N -2 3 283.309 1.736 10 0 CDAEHL Cc1ccc(Cn2c(=O)[n-]nc2SCC(=O)[O-])cc1 ZINC000061591840 524762223 /nfs/dbraw/zinc/76/22/23/524762223.db2.gz VFOHUOWPJMELOV-UHFFFAOYSA-N -2 3 279.321 1.105 10 0 CDAEHL Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000763097531 576712305 /nfs/dbraw/zinc/71/23/05/576712305.db2.gz HCVIFIWULMTUJU-JTQLQIEISA-N -2 3 264.281 1.054 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1cc(Cl)c([O-])cc1F ZINC001627100772 1165977778 /nfs/dbraw/zinc/97/77/78/1165977778.db2.gz BJUUTMMVPLHDTK-UHFFFAOYSA-N -2 3 299.693 1.659 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000265041800 293064872 /nfs/dbraw/zinc/06/48/72/293064872.db2.gz WRODQPGIULIHPA-ZETCQYMHSA-N -2 3 291.300 1.301 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c(F)c1F ZINC000629294763 361818406 /nfs/dbraw/zinc/81/84/06/361818406.db2.gz BQFCUWKKMZRFEM-SSDOTTSWSA-N -2 3 293.291 1.272 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H](C)C(=O)[O-] ZINC000133282520 342070011 /nfs/dbraw/zinc/07/00/11/342070011.db2.gz BAQBCEJGUCMFDV-NKWVEPMBSA-N -2 3 293.291 1.352 10 0 CDAEHL COc1nc(NC(=O)c2ccc3ccccc3c2[O-])n[n-]1 ZINC000158901283 237136358 /nfs/dbraw/zinc/13/63/58/237136358.db2.gz RFXQEPDWBZXJJR-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL COc1nnc(NC(=O)c2ccc3ccccc3c2[O-])[n-]1 ZINC000158901283 237136369 /nfs/dbraw/zinc/13/63/69/237136369.db2.gz RFXQEPDWBZXJJR-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL COc1n[n-]c(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC000158901283 237136377 /nfs/dbraw/zinc/13/63/77/237136377.db2.gz RFXQEPDWBZXJJR-UHFFFAOYSA-N -2 3 284.275 1.924 10 0 CDAEHL CC1(c2nc(=NC(=O)c3cc(C(F)F)n[n-]3)s[n-]2)CC1 ZINC000640725701 364537779 /nfs/dbraw/zinc/53/77/79/364537779.db2.gz YPSBCAJDCJXXTI-UHFFFAOYSA-N -2 3 299.306 1.925 10 0 CDAEHL CC1(c2nc(=NC(=O)c3cc(C(F)F)[n-]n3)s[n-]2)CC1 ZINC000640725701 364537783 /nfs/dbraw/zinc/53/77/83/364537783.db2.gz YPSBCAJDCJXXTI-UHFFFAOYSA-N -2 3 299.306 1.925 10 0 CDAEHL CC(C)(C)c1ccc(C(=O)N=c2ccc([O-])n[n-]2)nc1 ZINC000421529932 391882681 /nfs/dbraw/zinc/88/26/81/391882681.db2.gz MBHQUYIGPZSSHX-UHFFFAOYSA-N -2 3 272.308 1.549 10 0 CDAEHL Cc1noc(=NC([O-])=C2C[C@@]2(F)c2ccccc2)[n-]1 ZINC000334563585 149686633 /nfs/dbraw/zinc/68/66/33/149686633.db2.gz NICQASDFWQQPBN-ZWNOBZJWSA-N -2 3 261.256 1.623 10 0 CDAEHL C[C@@H](Cc1ccccc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000343737733 152285003 /nfs/dbraw/zinc/28/50/03/152285003.db2.gz RRICTTCZMJEKOA-JTQLQIEISA-N -2 3 257.293 1.421 10 0 CDAEHL O=C([O-])C1CN(Cc2cc(=O)oc3cc([O-])ccc23)C1 ZINC000071173639 176053975 /nfs/dbraw/zinc/05/39/75/176053975.db2.gz SBBYDAVBPPZZJU-UHFFFAOYSA-N -2 3 275.260 1.015 10 0 CDAEHL Cc1cc(NC(=O)c2cnn[n-]2)cc(C(=O)[O-])c1C ZINC000071215150 176086102 /nfs/dbraw/zinc/08/61/02/176086102.db2.gz UWPSYIYJARFOOC-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL Cc1cc(NC(=O)c2c[n-]nn2)cc(C(=O)[O-])c1C ZINC000071215150 176086104 /nfs/dbraw/zinc/08/61/04/176086104.db2.gz UWPSYIYJARFOOC-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL Cc1cc(NC(=O)c2cn[n-]n2)cc(C(=O)[O-])c1C ZINC000071215150 176086105 /nfs/dbraw/zinc/08/61/05/176086105.db2.gz UWPSYIYJARFOOC-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cnn[n-]2)cc1Cl ZINC000071215124 176086316 /nfs/dbraw/zinc/08/63/16/176086316.db2.gz WBSPTFPUIYBIHQ-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2c[n-]nn2)cc1Cl ZINC000071215124 176086318 /nfs/dbraw/zinc/08/63/18/176086318.db2.gz WBSPTFPUIYBIHQ-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cn[n-]n2)cc1Cl ZINC000071215124 176086320 /nfs/dbraw/zinc/08/63/20/176086320.db2.gz WBSPTFPUIYBIHQ-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000071236319 176093528 /nfs/dbraw/zinc/09/35/28/176093528.db2.gz WLCCHBRXGRPGEC-UHFFFAOYSA-N -2 3 279.745 1.824 10 0 CDAEHL Cc1csc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1 ZINC000562966847 293228349 /nfs/dbraw/zinc/22/83/49/293228349.db2.gz JQDUMTNUCLRPJU-MRVPVSSYSA-N -2 3 277.367 1.588 10 0 CDAEHL CCCN(C)S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000675755262 483362507 /nfs/dbraw/zinc/36/25/07/483362507.db2.gz DTBUZFLIYCGTCJ-UHFFFAOYSA-N -2 3 262.306 1.530 10 0 CDAEHL CC(C)C[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591741 519774527 /nfs/dbraw/zinc/77/45/27/519774527.db2.gz HAUZSSNQFWETES-SSDOTTSWSA-N -2 3 259.331 1.355 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000062767179 519919162 /nfs/dbraw/zinc/91/91/62/519919162.db2.gz NZFTYKPSHZMVSW-HTQZYQBOSA-N -2 3 271.342 1.498 10 0 CDAEHL CCCCC[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592102 520289015 /nfs/dbraw/zinc/28/90/15/520289015.db2.gz NGCZYSWJRIPMBX-MRVPVSSYSA-N -2 3 273.358 1.889 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000061214837 521244243 /nfs/dbraw/zinc/24/42/43/521244243.db2.gz SMBBRLDWBABVGY-VIFPVBQESA-N -2 3 251.282 1.575 10 0 CDAEHL CCn1c(=O)[n-]nc1SCc1csc(C(=O)[O-])n1 ZINC000061593644 523094533 /nfs/dbraw/zinc/09/45/33/523094533.db2.gz VOKIWLISEJJTKN-UHFFFAOYSA-N -2 3 286.338 1.038 10 0 CDAEHL C[C@@H]1CCCC[C@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591699 524180209 /nfs/dbraw/zinc/18/02/09/524180209.db2.gz JBTYCPXFEZJOPV-HTQZYQBOSA-N -2 3 271.342 1.499 10 0 CDAEHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1c([O-])cccc1F ZINC000795323015 745584447 /nfs/dbraw/zinc/58/44/47/745584447.db2.gz BIYQGHMJVSLIPU-VIFPVBQESA-N -2 3 289.328 1.700 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000871993325 749044985 /nfs/dbraw/zinc/04/49/85/749044985.db2.gz HUCDXKZVPPYCBI-UHFFFAOYSA-N -2 3 299.348 1.836 10 0 CDAEHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)[N-]c2cnoc2)c1 ZINC000623946443 347229470 /nfs/dbraw/zinc/22/94/70/347229470.db2.gz GFDSCXDLPAJNCG-UHFFFAOYSA-N -3 3 298.276 1.188 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1s[n-]c(=O)c1Cl ZINC000622570842 351216382 /nfs/dbraw/zinc/21/63/82/351216382.db2.gz UYFIIOUMFCPGHA-UHFFFAOYSA-N -2 3 285.712 1.533 10 0 CDAEHL Cc1nc(SCc2nc(=O)n(C)[n-]2)[n-]c(=O)c1C1CC1 ZINC000631024586 374564934 /nfs/dbraw/zinc/56/49/34/374564934.db2.gz WOIVQQOFNZUFAA-UHFFFAOYSA-N -2 3 293.352 1.082 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cn[nH]c1 ZINC000131422809 393037868 /nfs/dbraw/zinc/03/78/68/393037868.db2.gz KAFODJFGKCAKAT-UHFFFAOYSA-N -2 3 257.246 1.055 10 0 CDAEHL COc1nc([N-]C(=O)c2c(F)ccc(F)c2OC)n[n-]1 ZINC000352645168 155322678 /nfs/dbraw/zinc/32/26/78/155322678.db2.gz HRQICXRIFCTXKV-UHFFFAOYSA-N -2 3 284.222 1.352 10 0 CDAEHL COC(=O)[N-]C(=O)CSc1ccccc1C(=O)[O-] ZINC000037414653 173191437 /nfs/dbraw/zinc/19/14/37/173191437.db2.gz RJYKNGHCNCTEHY-UHFFFAOYSA-N -2 3 269.278 1.360 10 0 CDAEHL COC([O-])=NC(=O)CSc1ccccc1C(=O)[O-] ZINC000037414653 173191438 /nfs/dbraw/zinc/19/14/38/173191438.db2.gz RJYKNGHCNCTEHY-UHFFFAOYSA-N -2 3 269.278 1.360 10 0 CDAEHL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000042521471 174772731 /nfs/dbraw/zinc/77/27/31/174772731.db2.gz IZURKDVWKKDSMU-YFKPBYRVSA-N -2 3 265.237 1.180 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1C ZINC000061608393 523097544 /nfs/dbraw/zinc/09/75/44/523097544.db2.gz ZLSVRPQWYGONIG-UHFFFAOYSA-N -2 3 279.321 1.749 10 0 CDAEHL Cc1cccc(OCCC(=O)[N-]OCC(=O)[O-])c1C ZINC000069072916 524727413 /nfs/dbraw/zinc/72/74/13/524727413.db2.gz CCUHNSLZCFVSOF-UHFFFAOYSA-N -2 3 267.281 1.205 10 0 CDAEHL C[C@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000052276358 524963747 /nfs/dbraw/zinc/96/37/47/524963747.db2.gz QXOVGDDFPWJXEU-CAHLUQPWSA-N -2 3 291.275 1.350 10 0 CDAEHL Cc1ccc(NC([O-])=NOCC(=O)[O-])cc1Cl ZINC000069073356 525167356 /nfs/dbraw/zinc/16/73/56/525167356.db2.gz GHAOGFSHHSPYOG-UHFFFAOYSA-N -2 3 258.661 1.786 10 0 CDAEHL Cc1ccc(NC(=O)[N-]OCC(=O)[O-])cc1Cl ZINC000069073356 525167364 /nfs/dbraw/zinc/16/73/64/525167364.db2.gz GHAOGFSHHSPYOG-UHFFFAOYSA-N -2 3 258.661 1.786 10 0 CDAEHL CCc1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)C)s1 ZINC000048653501 752047650 /nfs/dbraw/zinc/04/76/50/752047650.db2.gz UIWLWIYFQVRZHD-UHFFFAOYSA-N -2 3 276.383 1.276 10 0 CDAEHL CC(C)C[C@](C)(C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000926577882 753484023 /nfs/dbraw/zinc/48/40/23/753484023.db2.gz SVBBTHXKYYYYSJ-GFCCVEGCSA-N -2 3 289.353 1.695 10 0 CDAEHL COc1nc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)n[n-]1 ZINC001362302046 971134943 /nfs/dbraw/zinc/13/49/43/971134943.db2.gz SNFOQQIVHVJDGV-UHFFFAOYSA-N -2 3 299.237 1.869 10 0 CDAEHL C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nn(C)cc1[O-] ZINC001472236699 970604981 /nfs/dbraw/zinc/60/49/81/970604981.db2.gz MTQSNAXBYYOZLJ-SSDOTTSWSA-N -2 3 277.280 1.028 10 0 CDAEHL Cc1ccc(NC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1 ZINC000096286211 342469397 /nfs/dbraw/zinc/46/93/97/342469397.db2.gz FVJHDPVFVSTFKH-UHFFFAOYSA-N -4 3 281.141 1.046 10 0 CDAEHL COc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])c([O-])c1 ZINC000070310771 357718705 /nfs/dbraw/zinc/71/87/05/357718705.db2.gz GCXCRPBKFUMUPV-QMMMGPOBSA-N -2 3 267.281 1.384 10 0 CDAEHL O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1c([O-])cccc1[O-] ZINC000436997294 361635219 /nfs/dbraw/zinc/63/52/19/361635219.db2.gz FCEYFVVDTMWASH-NSHDSACASA-N -3 3 289.291 1.347 10 0 CDAEHL O=C([O-])CS(=O)(=O)[N-]c1ccsc1Cl ZINC000307008418 364984124 /nfs/dbraw/zinc/98/41/24/364984124.db2.gz HIQDHXUJTJDZDM-UHFFFAOYSA-N -2 3 255.704 1.228 10 0 CDAEHL CCc1nc(N2CCCC[C@@H]2C(=O)[O-])[n-]c(=O)c1C ZINC000057329966 288624870 /nfs/dbraw/zinc/62/48/70/288624870.db2.gz IUSMQWOMTLBPTP-SNVBAGLBSA-N -2 3 265.313 1.084 10 0 CDAEHL CCC[C@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000021819620 171334114 /nfs/dbraw/zinc/33/41/14/171334114.db2.gz RHPUSQHSRLNVFY-QMMMGPOBSA-N -2 3 291.394 1.842 10 0 CDAEHL COc1cc(OC)cc(-c2noc([N-]CC(=O)[O-])n2)c1 ZINC000662878517 413643185 /nfs/dbraw/zinc/64/31/85/413643185.db2.gz VCZHNEIAVCBPEL-UHFFFAOYSA-N -2 3 279.252 1.250 10 0 CDAEHL CCOC([O-])=NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000037207767 173029502 /nfs/dbraw/zinc/02/95/02/173029502.db2.gz MLLHUHPINKICDV-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CCOC(=O)[N-]C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000037207767 173029503 /nfs/dbraw/zinc/02/95/03/173029503.db2.gz MLLHUHPINKICDV-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CCOC([O-])=NC(=O)COc1ccccc1C(=O)[O-] ZINC000037207769 173029608 /nfs/dbraw/zinc/02/96/08/173029608.db2.gz SXLCWRSKPUOURE-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CCOC(=O)[N-]C(=O)COc1ccccc1C(=O)[O-] ZINC000037207769 173029609 /nfs/dbraw/zinc/02/96/09/173029609.db2.gz SXLCWRSKPUOURE-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(O)cc1[O-] ZINC000044611756 175216794 /nfs/dbraw/zinc/21/67/94/175216794.db2.gz KQZBTJPEUBWWSN-VIFPVBQESA-N -2 3 253.254 1.033 10 0 CDAEHL CC1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000045134969 175313060 /nfs/dbraw/zinc/31/30/60/175313060.db2.gz VRDOWKCLLCIEGK-MRVPVSSYSA-N -2 3 289.378 1.452 10 0 CDAEHL CSc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000659762733 424472525 /nfs/dbraw/zinc/47/25/25/424472525.db2.gz QCLFUDRHVIKELX-QMMMGPOBSA-N -2 3 281.333 1.661 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1cc(C(=O)[O-])co1 ZINC000061593748 519917968 /nfs/dbraw/zinc/91/79/68/519917968.db2.gz MUXUSVGHYUMPPA-UHFFFAOYSA-N -2 3 283.309 1.736 10 0 CDAEHL COc1ncccc1-c1nc(SCC(=O)[O-])n[n-]1 ZINC000061445055 525030991 /nfs/dbraw/zinc/03/09/91/525030991.db2.gz BLZBZKKMSIIWEF-UHFFFAOYSA-N -2 3 266.282 1.052 10 0 CDAEHL Cc1nc(Cc2ccccc2F)[n-]c(=O)c1CCC(=O)[O-] ZINC000049671469 526927242 /nfs/dbraw/zinc/92/72/42/526927242.db2.gz NSPQSLWSFWDWRQ-UHFFFAOYSA-N -2 3 290.294 1.825 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1F ZINC000061593632 527022172 /nfs/dbraw/zinc/02/21/72/527022172.db2.gz FBXBDSUJMQXVTO-UHFFFAOYSA-N -2 3 269.257 1.097 10 0 CDAEHL O=C([O-])c1cccc([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC000905990142 627084749 /nfs/dbraw/zinc/08/47/49/627084749.db2.gz LEVZKTSKJJXWQV-UHFFFAOYSA-N -2 3 273.285 1.629 10 0 CDAEHL O=C(c1cc(F)ccc1[O-])N1CCC[C@H]1c1nnn[n-]1 ZINC000720627007 754294530 /nfs/dbraw/zinc/29/45/30/754294530.db2.gz HNSUCIQQHJJLCI-VIFPVBQESA-N -2 3 277.259 1.022 10 0 CDAEHL CCC(CC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993054 754607089 /nfs/dbraw/zinc/60/70/89/754607089.db2.gz IDOYSPBUWFHRRC-UHFFFAOYSA-N -2 3 261.299 1.445 10 0 CDAEHL C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000871770076 755397326 /nfs/dbraw/zinc/39/73/26/755397326.db2.gz LHADFEVMVDIRIB-KXUCPTDWSA-N -2 3 287.337 1.447 10 0 CDAEHL O=C(CCCc1nnn[n-]1)Nc1cc(F)c([O-])cc1Cl ZINC001179659514 915914242 /nfs/dbraw/zinc/91/42/42/915914242.db2.gz AGDHQVHFYGAUGL-UHFFFAOYSA-N -2 3 299.693 1.659 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1cc(F)c([O-])cc1Cl ZINC001179659514 915914262 /nfs/dbraw/zinc/91/42/62/915914262.db2.gz AGDHQVHFYGAUGL-UHFFFAOYSA-N -2 3 299.693 1.659 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)o1 ZINC000629346257 361847768 /nfs/dbraw/zinc/84/77/68/361847768.db2.gz GHIKZDNJOVPBCT-VIFPVBQESA-N -2 3 299.348 1.836 10 0 CDAEHL O=c1cc(CCc2cccc(C(F)F)c2)[n-]nc1[O-] ZINC000205765389 342439939 /nfs/dbraw/zinc/43/99/39/342439939.db2.gz WFTLWNWHERTNSX-UHFFFAOYSA-N -2 3 266.247 1.786 10 0 CDAEHL CS(=O)(=O)c1ccc(C(=O)[N-]c2c([O-])cccc2F)o1 ZINC000608367333 345737947 /nfs/dbraw/zinc/73/79/47/345737947.db2.gz PAZSXQSTIPZUDR-UHFFFAOYSA-N -2 3 299.279 1.780 10 0 CDAEHL COc1cccc(NC(=O)CCCP(=O)([O-])[O-])c1 ZINC000584613160 346499515 /nfs/dbraw/zinc/49/95/15/346499515.db2.gz IHOIRESPEXPVHE-UHFFFAOYSA-N -2 3 273.225 1.592 10 0 CDAEHL Cc1n[n-]c(=NC(=O)c2cc3cc(Cl)sc3[n-]2)n1C ZINC000487010862 365993166 /nfs/dbraw/zinc/99/31/66/365993166.db2.gz YWAHWVOWGQFBAU-UHFFFAOYSA-N -2 3 295.755 1.994 10 0 CDAEHL O=C([O-])C1CN([C@@H]2CC[C@@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)C1 ZINC000725270953 538461756 /nfs/dbraw/zinc/46/17/56/538461756.db2.gz HCEIUHPCLSPPQW-HLTSFMKQSA-N -2 3 295.257 1.435 10 0 CDAEHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000569367798 358399253 /nfs/dbraw/zinc/39/92/53/358399253.db2.gz ONEPQYAUZGACGM-SKDRFNHKSA-N -2 3 299.348 1.233 10 0 CDAEHL CCn1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)nc1C ZINC000348866208 360645775 /nfs/dbraw/zinc/64/57/75/360645775.db2.gz LIABMKBZAMAIDN-UHFFFAOYSA-N -2 3 299.327 1.857 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)C1CC1 ZINC000574274732 392558286 /nfs/dbraw/zinc/55/82/86/392558286.db2.gz QPHGPTNYRCFJKA-LBPRGKRZSA-N -2 3 299.348 1.552 10 0 CDAEHL COc1nc([N-]C(=O)c2c(F)cc(F)cc2F)n[n-]1 ZINC000126780877 392587002 /nfs/dbraw/zinc/58/70/02/392587002.db2.gz LXRUUYVXAQXWIO-UHFFFAOYSA-N -2 3 272.186 1.483 10 0 CDAEHL CCCc1nc(=NC(=O)c2csc(=NCC)[n-]2)s[n-]1 ZINC000495247643 393223686 /nfs/dbraw/zinc/22/36/86/393223686.db2.gz JVORBFBSDQCDSM-UHFFFAOYSA-N -2 3 297.409 1.475 10 0 CDAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccs1)CC1CC1 ZINC000405475155 413606229 /nfs/dbraw/zinc/60/62/29/413606229.db2.gz LRSMQHPWQHXDND-SECBINFHSA-N -2 3 289.378 1.527 10 0 CDAEHL COc1ccccc1Cc1nc(SCC(=O)[O-])n[n-]1 ZINC000037404938 173180710 /nfs/dbraw/zinc/18/07/10/173180710.db2.gz HMNLISVMVJSOHO-UHFFFAOYSA-N -2 3 279.321 1.581 10 0 CDAEHL CCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040563116 174336104 /nfs/dbraw/zinc/33/61/04/174336104.db2.gz LWNJNFBVLLBBAM-UHFFFAOYSA-N -2 3 252.270 1.964 10 0 CDAEHL C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nnn[n-]1 ZINC000044885778 175270409 /nfs/dbraw/zinc/27/04/09/175270409.db2.gz RLYLHZMCENCNJY-QMMMGPOBSA-N -2 3 283.291 1.550 10 0 CDAEHL C[C@H](NC(=O)c1ccc2ccccc2c1[O-])c1nn[n-]n1 ZINC000044885778 175270411 /nfs/dbraw/zinc/27/04/11/175270411.db2.gz RLYLHZMCENCNJY-QMMMGPOBSA-N -2 3 283.291 1.550 10 0 CDAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)CC1CC1 ZINC000078723126 177375625 /nfs/dbraw/zinc/37/56/25/177375625.db2.gz AMPGVDLCENNUSO-UHFFFAOYSA-N -2 3 273.285 1.676 10 0 CDAEHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)CCCF)c1F ZINC000548259765 289861126 /nfs/dbraw/zinc/86/11/26/289861126.db2.gz AGIBQBGAVNZZAC-UHFFFAOYSA-N -2 3 297.254 1.764 10 0 CDAEHL CC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC000233015694 482560396 /nfs/dbraw/zinc/56/03/96/482560396.db2.gz CZHLHMKQYRKYLE-UHFFFAOYSA-N -2 3 290.366 1.310 10 0 CDAEHL CCN(C(=O)c1cccc(OC)c1[O-])C(C)(C)C(=O)[O-] ZINC000061149130 520101151 /nfs/dbraw/zinc/10/11/51/520101151.db2.gz VAMCLPBSMGFLNS-UHFFFAOYSA-N -2 3 281.308 1.726 10 0 CDAEHL CC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000062914251 523702316 /nfs/dbraw/zinc/70/23/16/523702316.db2.gz AFQVXRXZXHRLID-CQSZACIVSA-N -2 3 263.293 1.719 10 0 CDAEHL O=C([O-])[C@H]1CCCN(c2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000045946947 526323563 /nfs/dbraw/zinc/32/35/63/526323563.db2.gz QDZRYGLHFCGXPV-LBPRGKRZSA-N -2 3 299.330 1.738 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCc2nccs2)c([O-])c1 ZINC000049539909 526376316 /nfs/dbraw/zinc/37/63/16/526376316.db2.gz LEHIOXDVTSSDQM-UHFFFAOYSA-N -2 3 293.304 1.869 10 0 CDAEHL Cc1nc(CC[C@H]2CCCCO2)[n-]c(=O)c1C(=O)[O-] ZINC000069394791 526831632 /nfs/dbraw/zinc/83/16/32/526831632.db2.gz XFHZVEIBNKGTRU-SECBINFHSA-N -2 3 266.297 1.278 10 0 CDAEHL CC(C)(CO)O[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911814750 629507925 /nfs/dbraw/zinc/50/79/25/629507925.db2.gz ROZSCMRKZBXTTH-UHFFFAOYSA-N -2 3 273.329 1.086 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)c([O-])c1 ZINC000923200946 769049488 /nfs/dbraw/zinc/04/94/88/769049488.db2.gz OZFFHQQEXZRIAE-WHOHXGKFSA-N -2 3 275.304 1.540 10 0 CDAEHL Cc1ccc(C(=O)NC[C@@H]2[C@H](C(=O)[O-])C2(F)F)c([O-])c1 ZINC000715272339 770170142 /nfs/dbraw/zinc/17/01/42/770170142.db2.gz UEPGRUOVJQRWTE-PSASIEDQSA-N -2 3 285.246 1.396 10 0 CDAEHL Cc1nc(C)c(CC(=O)[N-]Oc2ccccc2F)c(=O)[n-]1 ZINC001471717246 970471720 /nfs/dbraw/zinc/47/17/20/970471720.db2.gz HUJNKRCKXUAMRW-UHFFFAOYSA-N -2 3 291.282 1.591 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)C1CC2(C1)CCCCC2 ZINC000622846585 342261117 /nfs/dbraw/zinc/26/11/17/342261117.db2.gz QIJZLVZNTQWENH-UHFFFAOYSA-N -2 3 261.325 1.903 10 0 CDAEHL CC(C)(C)c1cc(S(=O)(=O)[O-])cc(C=O)c1[O-] ZINC000584606981 346498693 /nfs/dbraw/zinc/49/86/93/346498693.db2.gz COPZAOFRHVTOIH-UHFFFAOYSA-N -2 3 258.295 1.749 10 0 CDAEHL O=P([O-])([O-])Cc1cccc(CP(=O)([O-])[O-])c1 ZINC000027561203 538270673 /nfs/dbraw/zinc/27/06/73/538270673.db2.gz PYWZCUXISXXGMI-UHFFFAOYSA-N -4 3 266.126 1.042 10 0 CDAEHL Cc1ccc([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c(C(=O)[O-])c1 ZINC000514768426 360373154 /nfs/dbraw/zinc/37/31/54/360373154.db2.gz OMUHXZAFGJETIC-JOYOIKCWSA-N -2 3 299.348 1.612 10 0 CDAEHL CNc1nc(-c2cc(C(=O)[O-])ccc2[O-])ns1 ZINC000022222518 171378621 /nfs/dbraw/zinc/37/86/21/171378621.db2.gz AGTSQLQVZBNKNV-UHFFFAOYSA-N -2 3 251.267 1.651 10 0 CDAEHL O=C([O-])CSc1n[n-]c([C@@H]2Cc3ccccc3O2)n1 ZINC000037404966 173180898 /nfs/dbraw/zinc/18/08/98/173180898.db2.gz BFJYPKOJHKMSNF-VIFPVBQESA-N -2 3 277.305 1.658 10 0 CDAEHL Cc1nc(CCC(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000043374647 175029742 /nfs/dbraw/zinc/02/97/42/175029742.db2.gz AXJVMTAVBXOEHV-UHFFFAOYSA-N -2 3 252.314 1.684 10 0 CDAEHL O=C([O-])[C@@]1(NC(=O)c2ccccc2[O-])CCSC1 ZINC000043503230 175059186 /nfs/dbraw/zinc/05/91/86/175059186.db2.gz VBBVQJZHIJHIAZ-GFCCVEGCSA-N -2 3 267.306 1.082 10 0 CDAEHL O=C([O-])c1cc([N-]S(=O)(=O)CC2CC2)c(F)cc1F ZINC000078723118 177376113 /nfs/dbraw/zinc/37/61/13/177376113.db2.gz MXVGDJVSGHGLHO-UHFFFAOYSA-N -2 3 291.275 1.815 10 0 CDAEHL COCc1nc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)co1 ZINC000548509110 289897305 /nfs/dbraw/zinc/89/73/05/289897305.db2.gz WOBHWANBHPSHPH-UHFFFAOYSA-N -2 3 291.189 1.210 10 0 CDAEHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000681131408 482714585 /nfs/dbraw/zinc/71/45/85/482714585.db2.gz ZYPLCWYWZYIJTD-MRVPVSSYSA-N -2 3 274.317 1.672 10 0 CDAEHL CSC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000069440884 525623967 /nfs/dbraw/zinc/62/39/67/525623967.db2.gz YCTWRUWFROYCND-ZETCQYMHSA-N -2 3 293.366 1.255 10 0 CDAEHL Cc1ccc([C@H](C)n2c(=O)[n-]nc2SCC(=O)[O-])cc1 ZINC000061592053 525950202 /nfs/dbraw/zinc/95/02/02/525950202.db2.gz BNAXPERJCCEITH-VIFPVBQESA-N -2 3 293.348 1.666 10 0 CDAEHL C[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)CC(=O)[O-] ZINC000147280589 618741529 /nfs/dbraw/zinc/74/15/29/618741529.db2.gz RNCYBUZEYKURDQ-ZETCQYMHSA-N -2 3 292.744 1.124 10 0 CDAEHL C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000903024714 625801660 /nfs/dbraw/zinc/80/16/60/625801660.db2.gz NEELIHNNJCWFMK-HZQMYPQZSA-N -2 3 299.348 1.548 10 0 CDAEHL O=C([O-])C1(C(=O)Nc2cccc([O-])c2F)CCOCC1 ZINC000911430747 629281229 /nfs/dbraw/zinc/28/12/29/629281229.db2.gz HEFGUIVQIDWASW-UHFFFAOYSA-N -2 3 283.255 1.351 10 0 CDAEHL O=C(CC1CCC(C(=O)[O-])CC1)[N-]OC1CCC1 ZINC000911814335 629508001 /nfs/dbraw/zinc/50/80/01/629508001.db2.gz QAPUEDSDWUCPEL-UHFFFAOYSA-N -2 3 255.314 1.868 10 0 CDAEHL Cc1cc(C)c(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])s1 ZINC000310919909 776134220 /nfs/dbraw/zinc/13/42/20/776134220.db2.gz AFJMQWOUIODRKP-UHFFFAOYSA-N -2 3 299.320 1.363 10 0 CDAEHL Cc1cnc(C(=O)[N-]N2Cc3ccccc3C2=O)c([O-])c1 ZINC000779078701 777842172 /nfs/dbraw/zinc/84/21/72/777842172.db2.gz UMMAMBZMOHLQGQ-UHFFFAOYSA-N -2 3 283.287 1.396 10 0 CDAEHL CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc([O-])c(F)c1 ZINC001412532964 932473270 /nfs/dbraw/zinc/47/32/70/932473270.db2.gz UCIMWOWASXLMEP-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([O-])c(F)c1 ZINC001412532964 932473275 /nfs/dbraw/zinc/47/32/75/932473275.db2.gz UCIMWOWASXLMEP-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL Cc1ccc(C(=O)N[C@H](C)c2nn(C)cc2[O-])c([O-])c1 ZINC001456788675 969053356 /nfs/dbraw/zinc/05/33/56/969053356.db2.gz JCPSDWNJDSARJU-SECBINFHSA-N -2 3 275.308 1.631 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Cl)c1[O-] ZINC001361923226 970679210 /nfs/dbraw/zinc/67/92/10/970679210.db2.gz BMDUDLAIJNZRKG-MRVPVSSYSA-N -2 3 295.726 1.287 10 0 CDAEHL Cc1ccc([O-])c(CN2[C@H](C)CC[C@@H]2C(=O)[O-])n1 ZINC000650794303 398207910 /nfs/dbraw/zinc/20/79/10/398207910.db2.gz ZGVJWQZAJWQBHV-MWLCHTKSSA-N -2 3 250.298 1.533 10 0 CDAEHL O=C(CCCP(=O)([O-])[O-])Nc1cccc(O)c1 ZINC000096907983 185128256 /nfs/dbraw/zinc/12/82/56/185128256.db2.gz XIBNTSKQLGKTLE-UHFFFAOYSA-N -2 3 259.198 1.289 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CC1)c1cc([O-])c2ccccc2c1 ZINC000356060460 539104549 /nfs/dbraw/zinc/10/45/49/539104549.db2.gz XSYISRWITDZDKM-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CC1)c1cc([O-])c2ccccc2c1 ZINC000356060460 539104550 /nfs/dbraw/zinc/10/45/50/539104550.db2.gz XSYISRWITDZDKM-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cncc(F)c1 ZINC000095982083 342431772 /nfs/dbraw/zinc/43/17/72/342431772.db2.gz QXIOOQCJDFLXFT-UHFFFAOYSA-N -2 3 286.259 1.866 10 0 CDAEHL CC(C)(C(=O)OCc1ccccc1)P(=O)([O-])[O-] ZINC000059164576 358550760 /nfs/dbraw/zinc/55/07/60/358550760.db2.gz WRMDPXOMLHZMAI-UHFFFAOYSA-N -2 3 258.210 1.686 10 0 CDAEHL Cc1ccc([O-])c(CNC(C)(C)c2nc(C)cc(=O)[n-]2)n1 ZINC000628374888 364019061 /nfs/dbraw/zinc/01/90/61/364019061.db2.gz KPWKZQNGXGYZTA-UHFFFAOYSA-N -2 3 288.351 1.925 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000414393467 241181515 /nfs/dbraw/zinc/18/15/15/241181515.db2.gz IEKRUTWQMBZFIW-UHFFFAOYSA-N -2 3 295.307 1.837 10 0 CDAEHL Nc1c(I)c([O-])ccc1CC(=O)[O-] ZINC000575719192 374010409 /nfs/dbraw/zinc/01/04/09/374010409.db2.gz OXQPKSNGOZIRRI-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL O=C([O-])[C@H](Cc1ccncc1)[N-]c1nc(C2CCC2)no1 ZINC000656091705 413015824 /nfs/dbraw/zinc/01/58/24/413015824.db2.gz HSFTZWIHLNCGFE-NSHDSACASA-N -2 3 288.307 1.840 10 0 CDAEHL CCS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1OC ZINC000548591449 393329699 /nfs/dbraw/zinc/32/96/99/393329699.db2.gz FEUDZFOBWFGZQG-UHFFFAOYSA-N -2 3 287.337 1.474 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)o1 ZINC000650412620 397922303 /nfs/dbraw/zinc/92/23/03/397922303.db2.gz QRAWXZLQLFIABQ-JTQLQIEISA-N -2 3 273.310 1.120 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(O)cc1[O-] ZINC000044611758 175216753 /nfs/dbraw/zinc/21/67/53/175216753.db2.gz KQZBTJPEUBWWSN-SECBINFHSA-N -2 3 253.254 1.033 10 0 CDAEHL Cc1nc(C(=O)[N-]c2snc(C)c2C(=O)[O-])no1 ZINC000071382396 176146034 /nfs/dbraw/zinc/14/60/34/176146034.db2.gz JMYREFKXQWEIAD-UHFFFAOYSA-N -2 3 268.254 1.093 10 0 CDAEHL Nc1nonc1C(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000071392026 176148761 /nfs/dbraw/zinc/14/87/61/176148761.db2.gz GOXZMAHAMJPPKE-UHFFFAOYSA-N -2 3 282.643 1.256 10 0 CDAEHL O=P([O-])([O-])Cc1ccc(Br)cn1 ZINC000072108453 176317306 /nfs/dbraw/zinc/31/73/06/176317306.db2.gz VQLHJQQMJSAWQS-UHFFFAOYSA-N -2 3 252.004 1.522 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])o1 ZINC000570848809 294322813 /nfs/dbraw/zinc/32/28/13/294322813.db2.gz NPZOZMQCKXBBCK-JTQLQIEISA-N -2 3 287.337 1.510 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])o1 ZINC000572045879 294548111 /nfs/dbraw/zinc/54/81/11/294548111.db2.gz ZKZDFYLCAVJASQ-MRVPVSSYSA-N -2 3 275.326 1.367 10 0 CDAEHL Cc1oc(C)c(S(=O)(=O)[N-]CCCCF)c1C(=O)[O-] ZINC000336816642 302871425 /nfs/dbraw/zinc/87/14/25/302871425.db2.gz MTXOQTHTUXSJAW-UHFFFAOYSA-N -2 3 293.316 1.623 10 0 CDAEHL COc1cccc(C(=O)N(CC(=O)[O-])CC2CC2)c1[O-] ZINC000036884199 482540307 /nfs/dbraw/zinc/54/03/07/482540307.db2.gz MIDMHHYXASWNEQ-UHFFFAOYSA-N -2 3 279.292 1.338 10 0 CDAEHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c[nH]1 ZINC000681573522 482913647 /nfs/dbraw/zinc/91/36/47/482913647.db2.gz CEXHZULEJSRUBD-QMMMGPOBSA-N -2 3 289.357 1.065 10 0 CDAEHL CCN(C(=O)c1ccc(O)cc1[O-])C(C)(C)C(=O)[O-] ZINC000061148951 520089520 /nfs/dbraw/zinc/08/95/20/520089520.db2.gz YBWIVKDXSXMBJQ-UHFFFAOYSA-N -2 3 267.281 1.423 10 0 CDAEHL CCN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C)CC(=O)[O-] ZINC000061182868 521457610 /nfs/dbraw/zinc/45/76/10/521457610.db2.gz RNIGCBOUTLNCGC-QMMMGPOBSA-N -2 3 295.364 1.670 10 0 CDAEHL COc1cc(F)ccc1[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000049566554 522614807 /nfs/dbraw/zinc/61/48/07/522614807.db2.gz UTXXYWMCHMFRID-ZCFIWIBFSA-N -2 3 277.273 1.049 10 0 CDAEHL Cc1cccc(CCn2c(=O)[n-]nc2SCC(=O)[O-])c1 ZINC000061591875 524364720 /nfs/dbraw/zinc/36/47/20/524364720.db2.gz AEQVURDQWVKOGL-UHFFFAOYSA-N -2 3 293.348 1.299 10 0 CDAEHL Cc1cc(F)cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])c1 ZINC000905998782 627088172 /nfs/dbraw/zinc/08/81/72/627088172.db2.gz DALJTJNOYAENPD-UHFFFAOYSA-N -2 3 297.254 1.132 10 0 CDAEHL Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)sc1C=O ZINC001647868893 1169068645 /nfs/dbraw/zinc/06/86/45/1169068645.db2.gz ZKNYGCYLXKFVAS-UHFFFAOYSA-N -2 3 293.304 1.000 10 0 CDAEHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000310713056 782742684 /nfs/dbraw/zinc/74/26/84/782742684.db2.gz DOZROKYQHKLSPR-UPHRSURJSA-N -2 3 293.703 1.398 10 0 CDAEHL CCC[C@H](CCCC[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000817420258 930531528 /nfs/dbraw/zinc/53/15/28/930531528.db2.gz RMCBQLROPKKQQJ-MRVPVSSYSA-N -2 3 287.328 1.800 10 0 CDAEHL COCc1sccc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001362721842 971558763 /nfs/dbraw/zinc/55/87/63/971558763.db2.gz HAVNUDRTSOUBNN-UHFFFAOYSA-N -2 3 295.320 1.026 10 0 CDAEHL CCO[N-]C(=O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001300272971 967919361 /nfs/dbraw/zinc/91/93/61/967919361.db2.gz UUJVVMHLRDCTLB-UHFFFAOYSA-N -2 3 288.303 1.343 10 0 CDAEHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OC(C)(C)CO ZINC001468167924 970130750 /nfs/dbraw/zinc/13/07/50/970130750.db2.gz ZNEKHSFRWHUQRG-UHFFFAOYSA-N -2 3 297.355 1.220 10 0 CDAEHL CCCCN(C)S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000608342012 345727068 /nfs/dbraw/zinc/72/70/68/345727068.db2.gz AVUMSZHGSHLMKA-UHFFFAOYSA-N -2 3 276.333 1.920 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])o1 ZINC000565057132 360847167 /nfs/dbraw/zinc/84/71/67/360847167.db2.gz CTRMQUBWNMYKHM-JTQLQIEISA-N -2 3 299.304 1.155 10 0 CDAEHL O=c1cc(/C=C\c2c(F)ccc([O-])c2F)nc2nc[n-]n21 ZINC000436935716 361612967 /nfs/dbraw/zinc/61/29/67/361612967.db2.gz XDYYJUAIGHWTRU-UPHRSURJSA-N -2 3 290.229 1.572 10 0 CDAEHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000034937901 364184198 /nfs/dbraw/zinc/18/41/98/364184198.db2.gz IWPLCZXVCFRUIQ-MRVPVSSYSA-N -2 3 291.394 1.698 10 0 CDAEHL O=C([O-])c1nn(-c2ccccc2OC(F)F)cc1[O-] ZINC000037328121 173128499 /nfs/dbraw/zinc/12/84/99/173128499.db2.gz BJAKLBPLRWEJAK-UHFFFAOYSA-N -2 3 270.191 1.878 10 0 CDAEHL C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1[O-])[C@@H]1CCCO1 ZINC000040576397 174341667 /nfs/dbraw/zinc/34/16/67/174341667.db2.gz JVBQSADLCRMNFQ-UFBFGSQYSA-N -2 3 294.307 1.779 10 0 CDAEHL C[C@H](NCc1ccc([O-])c(Cl)c1)c1nn[n-]n1 ZINC000044926874 175278140 /nfs/dbraw/zinc/27/81/40/175278140.db2.gz RBRUVYGPOMCPRX-LURJTMIESA-N -2 3 253.693 1.410 10 0 CDAEHL C[C@H](NCc1ccc([O-])c(Cl)c1)c1nnn[n-]1 ZINC000044926874 175278141 /nfs/dbraw/zinc/27/81/41/175278141.db2.gz RBRUVYGPOMCPRX-LURJTMIESA-N -2 3 253.693 1.410 10 0 CDAEHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000576884033 317225293 /nfs/dbraw/zinc/22/52/93/317225293.db2.gz QVZCXRKVOJYJLW-JOYOIKCWSA-N -2 3 299.348 1.233 10 0 CDAEHL C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000052276309 525330338 /nfs/dbraw/zinc/33/03/38/525330338.db2.gz YWLZCWWXOARTII-SVRRBLITSA-N -2 3 275.351 1.062 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)Cc2cccc(O)c2)c([O-])c1 ZINC000048815026 526375336 /nfs/dbraw/zinc/37/53/36/526375336.db2.gz BVXXETSMIQNZSM-UHFFFAOYSA-N -2 3 287.271 1.977 10 0 CDAEHL CSc1ccc([O-])c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000902658872 625100583 /nfs/dbraw/zinc/10/05/83/625100583.db2.gz HRRNRFALOCLIII-ZKCHVHJHSA-N -2 3 281.333 1.707 10 0 CDAEHL CC(C)(O)CO[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911806067 629536443 /nfs/dbraw/zinc/53/64/43/629536443.db2.gz CFXOBDXGKREBIR-UHFFFAOYSA-N -2 3 273.329 1.086 10 0 CDAEHL O=C(NCc1n[nH]c(=O)[n-]1)c1cc([O-])c2ccccc2c1 ZINC000354913261 918082653 /nfs/dbraw/zinc/08/26/53/918082653.db2.gz GSUZBBLNWAFMTH-UHFFFAOYSA-N -2 3 284.275 1.299 10 0 CDAEHL Cc1cccc([O-])c1C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001434408129 961319242 /nfs/dbraw/zinc/31/92/42/961319242.db2.gz UNGRSDKSZWMQGN-SECBINFHSA-N -2 3 275.308 1.631 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1ccc(F)cc1[O-] ZINC000436996917 361635364 /nfs/dbraw/zinc/63/53/64/361635364.db2.gz DMHKWCFETZHIFB-UHFFFAOYSA-N -2 3 262.240 1.562 10 0 CDAEHL C[C@H](F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000414345010 241159884 /nfs/dbraw/zinc/15/98/84/241159884.db2.gz SJWOFKMOOGWXMJ-ZETCQYMHSA-N -2 3 293.291 1.550 10 0 CDAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000164887136 371336366 /nfs/dbraw/zinc/33/63/66/371336366.db2.gz YVIIGTRAGLIVTN-KCJUWKMLSA-N -2 3 289.378 1.670 10 0 CDAEHL O=C([O-])c1nc2[nH]ccc([O-])c-2c1Br ZINC000095937131 304215952 /nfs/dbraw/zinc/21/59/52/304215952.db2.gz IEYPCQHPPSAJST-UHFFFAOYSA-N -2 3 257.043 1.729 10 0 CDAEHL CC[C@@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)OC ZINC000421143862 391824339 /nfs/dbraw/zinc/82/43/39/391824339.db2.gz AVBUNUXSISHMRZ-NSHDSACASA-N -2 3 277.317 1.698 10 0 CDAEHL O=C([O-])CSc1n[n-]c([C@@H]2COc3ccccc3O2)n1 ZINC000020159515 171039823 /nfs/dbraw/zinc/03/98/23/171039823.db2.gz ZZWIWFGEPHGTAZ-VIFPVBQESA-N -2 3 293.304 1.494 10 0 CDAEHL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000040530821 174316928 /nfs/dbraw/zinc/31/69/28/174316928.db2.gz XQYSRPRMDYEOJD-IUCAKERBSA-N -2 3 294.307 1.732 10 0 CDAEHL CC[C@]1(C(=O)[O-])CCN(C(=O)c2cccc([O-])c2)C1 ZINC000062914346 523550791 /nfs/dbraw/zinc/55/07/91/523550791.db2.gz BYJIUYIJIWAORI-AWEZNQCLSA-N -2 3 263.293 1.719 10 0 CDAEHL Cc1cc(C)cc(OCCC(=O)[N-]OCC(=O)[O-])c1 ZINC000069055097 524443107 /nfs/dbraw/zinc/44/31/07/524443107.db2.gz XTSYDFZKBIWMAY-UHFFFAOYSA-N -2 3 267.281 1.205 10 0 CDAEHL C[C@@H](NCc1ccc([O-])c(Br)c1)c1nn[n-]n1 ZINC000062702801 525529476 /nfs/dbraw/zinc/52/94/76/525529476.db2.gz DOLUADOQDYYMFC-ZCFIWIBFSA-N -2 3 298.144 1.519 10 0 CDAEHL C[C@@H](NCc1ccc([O-])c(Br)c1)c1nnn[n-]1 ZINC000062702801 525529484 /nfs/dbraw/zinc/52/94/84/525529484.db2.gz DOLUADOQDYYMFC-ZCFIWIBFSA-N -2 3 298.144 1.519 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC[C@@H]1C[C@H]1C1CC1 ZINC000903038878 625787734 /nfs/dbraw/zinc/78/77/34/625787734.db2.gz NQFAIDBNJYXXIQ-KOLCDFICSA-N -2 3 299.348 1.692 10 0 CDAEHL O=C([O-])c1ccn(CCCC(=O)[N-]OCCC2CC2)n1 ZINC000911809227 629541182 /nfs/dbraw/zinc/54/11/82/629541182.db2.gz JMEVNHATLILGEU-UHFFFAOYSA-N -2 3 281.312 1.209 10 0 CDAEHL COc1ccc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001649255240 1158586400 /nfs/dbraw/zinc/58/64/00/1158586400.db2.gz PWHRWSKLONAKDU-PRHODGIISA-N -2 3 297.282 1.286 10 0 CDAEHL C[C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])[C@@H]1C(=O)[O-] ZINC000849365996 788844794 /nfs/dbraw/zinc/84/47/94/788844794.db2.gz JFZOWSYBPQWWPN-UFBFGSQYSA-N -2 3 278.308 1.300 10 0 CDAEHL COCCS(=O)(=O)[N-]c1ccc(Cl)c([O-])c1 ZINC000082879606 178328872 /nfs/dbraw/zinc/32/88/72/178328872.db2.gz DACLXUWFYKOQKC-UHFFFAOYSA-N -2 3 265.718 1.434 10 0 CDAEHL O=C([O-])c1cccc([N-]S(=O)(=O)CCC2CC2)c1O ZINC000274979311 365877419 /nfs/dbraw/zinc/87/74/19/365877419.db2.gz XNUZTCYPVLZDMP-UHFFFAOYSA-N -2 3 285.321 1.632 10 0 CDAEHL C[C@@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccc(O)cc1[O-] ZINC000104262620 185948174 /nfs/dbraw/zinc/94/81/74/185948174.db2.gz ONWAPJINSFRLIM-IMTBSYHQSA-N -2 3 283.305 1.086 10 0 CDAEHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000070311990 357719321 /nfs/dbraw/zinc/71/93/21/357719321.db2.gz FCQPXHQPASVFOL-LURJTMIESA-N -2 3 297.785 1.933 10 0 CDAEHL COCc1n[n-]c(=NCc2nc(C(C)(C)C)n[n-]2)s1 ZINC000413416765 391027974 /nfs/dbraw/zinc/02/79/74/391027974.db2.gz PFLNSMUWEHQYHT-UHFFFAOYSA-N -2 3 282.373 1.134 10 0 CDAEHL CC(C)=CC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000191631830 130266644 /nfs/dbraw/zinc/26/66/44/130266644.db2.gz VJVBJVLVLHQPOT-UHFFFAOYSA-N -2 3 289.378 1.620 10 0 CDAEHL C[C@@H]1[C@@H](C(=O)N=c2ccc([O-])n[n-]2)[C@@H]1c1ccccc1 ZINC000430795337 392068831 /nfs/dbraw/zinc/06/88/31/392068831.db2.gz FVWKFQZGWPZEAP-QCZZGDTMSA-N -2 3 269.304 1.592 10 0 CDAEHL Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(=O)c1ccc([O-])cc1 ZINC000649230043 393122869 /nfs/dbraw/zinc/12/28/69/393122869.db2.gz XBLLWRJBPUJCKX-UHFFFAOYSA-N -2 3 287.319 1.790 10 0 CDAEHL CSCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000005662241 170125083 /nfs/dbraw/zinc/12/50/83/170125083.db2.gz PXUJXZNDNWIRBB-VIFPVBQESA-N -2 3 285.321 1.034 10 0 CDAEHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])C1CCC1 ZINC000663151515 414003264 /nfs/dbraw/zinc/00/32/64/414003264.db2.gz DCMCQTFEKDBICL-NSHDSACASA-N -2 3 263.293 1.623 10 0 CDAEHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000663448383 414258072 /nfs/dbraw/zinc/25/80/72/414258072.db2.gz RGFKJOQGIODLPM-NSHDSACASA-N -2 3 287.337 1.691 10 0 CDAEHL CCOC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CC2)c([O-])c1 ZINC000571450313 294439248 /nfs/dbraw/zinc/43/92/48/294439248.db2.gz RJNZQPNRQYXWBM-UHFFFAOYSA-N -2 3 293.275 1.372 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CCCC1)c1c([O-])cccc1F ZINC000681279596 482788060 /nfs/dbraw/zinc/78/80/60/482788060.db2.gz OZZMEHZJTSLMMY-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CCCC1)c1c([O-])cccc1F ZINC000681279596 482788064 /nfs/dbraw/zinc/78/80/64/482788064.db2.gz OZZMEHZJTSLMMY-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000061215092 521197185 /nfs/dbraw/zinc/19/71/85/521197185.db2.gz BPIIHIDDUQAMQN-SNVBAGLBSA-N -2 3 265.309 1.883 10 0 CDAEHL CCCCC[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592103 520309880 /nfs/dbraw/zinc/30/98/80/520309880.db2.gz NGCZYSWJRIPMBX-QMMMGPOBSA-N -2 3 273.358 1.889 10 0 CDAEHL CCCC[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591890 521014272 /nfs/dbraw/zinc/01/42/72/521014272.db2.gz ZQLTXVHBZVOQBK-SSDOTTSWSA-N -2 3 259.331 1.499 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H](CC(=O)[O-])C(F)(F)F ZINC000062767139 521615651 /nfs/dbraw/zinc/61/56/51/521615651.db2.gz POQMCPQXCHJQMW-RXMQYKEDSA-N -2 3 299.274 1.479 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1sccc1C=CC(=O)[O-] ZINC000061593251 527021427 /nfs/dbraw/zinc/02/14/27/527021427.db2.gz OISIXUUWPNJACI-NSCUHMNNSA-N -2 3 297.361 1.560 10 0 CDAEHL Cc1[n-][nH]c(=O)c1Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000918464069 632371070 /nfs/dbraw/zinc/37/10/70/632371070.db2.gz XHBGSJUJZBCZTI-VIFPVBQESA-N -2 3 278.337 1.334 10 0 CDAEHL COc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)c([O-])c1 ZINC000718063121 792256780 /nfs/dbraw/zinc/25/67/80/792256780.db2.gz JVBQSXAUARTAJW-UHFFFAOYSA-N -2 3 279.292 1.384 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000871995156 792397497 /nfs/dbraw/zinc/39/74/97/792397497.db2.gz LONBXSXILLQFPF-BBBLOLIVSA-N -2 3 299.348 1.692 10 0 CDAEHL CC1CC(C[N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871995263 795709758 /nfs/dbraw/zinc/70/97/58/795709758.db2.gz PHXCBXMXBXAACY-UHFFFAOYSA-N -2 3 273.310 1.302 10 0 CDAEHL O=C(Nc1nnn[n-]1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001362003421 903119405 /nfs/dbraw/zinc/11/94/05/903119405.db2.gz HQTPDVSEVVNQKI-UHFFFAOYSA-N -2 3 273.174 1.176 10 0 CDAEHL O=C(Nc1nn[n-]n1)c1ccc(C(F)(F)F)c([O-])c1 ZINC001362003421 903119411 /nfs/dbraw/zinc/11/94/11/903119411.db2.gz HQTPDVSEVVNQKI-UHFFFAOYSA-N -2 3 273.174 1.176 10 0 CDAEHL COc1nc([N-]C(=O)c2snc(Cl)c2Cl)n[n-]1 ZINC001412674072 932617961 /nfs/dbraw/zinc/61/79/61/932617961.db2.gz HPYDIHCSKQAXLX-UHFFFAOYSA-N -2 3 294.123 1.829 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001417635944 973221346 /nfs/dbraw/zinc/22/13/46/973221346.db2.gz MGZPIFOOPHNEMA-VIFPVBQESA-N -2 3 295.726 1.287 10 0 CDAEHL O=C([O-])[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085327022 179018198 /nfs/dbraw/zinc/01/81/98/179018198.db2.gz MKECURYCIUODFI-YUMQZZPRSA-N -2 3 275.351 1.280 10 0 CDAEHL O=C(Cc1cncc([O-])c1)Nc1ccc(F)cc1[O-] ZINC000622467589 351180562 /nfs/dbraw/zinc/18/05/62/351180562.db2.gz ZQVILNFGCFLACP-UHFFFAOYSA-N -2 3 262.240 1.813 10 0 CDAEHL C[C@H](CC(=O)[O-])NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000455753434 363459541 /nfs/dbraw/zinc/45/95/41/363459541.db2.gz MXJYSIIXATUMLH-SECBINFHSA-N -2 3 277.320 1.864 10 0 CDAEHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000069838021 356831570 /nfs/dbraw/zinc/83/15/70/356831570.db2.gz HWEXZOFOJIFUSP-ZETCQYMHSA-N -2 3 263.340 1.280 10 0 CDAEHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])N1CCC1 ZINC000408061151 357807634 /nfs/dbraw/zinc/80/76/34/357807634.db2.gz IRPKITAOADIJQH-UHFFFAOYSA-N -2 3 262.718 1.408 10 0 CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000011755505 358872709 /nfs/dbraw/zinc/87/27/09/358872709.db2.gz WBYBQFUOFIZLAO-HZGVNTEJSA-N -2 3 290.341 1.069 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000646060288 391958027 /nfs/dbraw/zinc/95/80/27/391958027.db2.gz KINFXKOABPBHBY-OYNCUSHFSA-N -2 3 285.321 1.445 10 0 CDAEHL COc1ccc(-c2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1 ZINC000041067108 174468688 /nfs/dbraw/zinc/46/86/88/174468688.db2.gz CLWXTWLTTQFONE-UHFFFAOYSA-N -2 3 288.303 1.771 10 0 CDAEHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000530151605 271117643 /nfs/dbraw/zinc/11/76/43/271117643.db2.gz NGFUSTBBECVXAR-VIFPVBQESA-N -2 3 299.352 1.133 10 0 CDAEHL O=C([O-])c1ccccc1[N-]S(=O)(=O)Cc1ccon1 ZINC000547582997 289787904 /nfs/dbraw/zinc/78/79/04/289787904.db2.gz UNCNFJIPGXPAON-UHFFFAOYSA-N -2 3 282.277 1.315 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1cc(C)ccc1C(=O)[O-] ZINC000574219080 294968356 /nfs/dbraw/zinc/96/83/56/294968356.db2.gz MRRDCRXHEIIPNB-VIFPVBQESA-N -2 3 287.337 1.470 10 0 CDAEHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC000134696660 483234822 /nfs/dbraw/zinc/23/48/22/483234822.db2.gz UXDGRUHVESSGMJ-ZETCQYMHSA-N -2 3 292.382 1.554 10 0 CDAEHL CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000050887778 521150706 /nfs/dbraw/zinc/15/07/06/521150706.db2.gz YMGWNKFOXVDVOQ-QMMMGPOBSA-N -2 3 275.326 1.835 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000062767177 519919181 /nfs/dbraw/zinc/91/91/81/519919181.db2.gz NZFTYKPSHZMVSW-JGVFFNPUSA-N -2 3 271.342 1.498 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])ccc1F ZINC000062767279 527019885 /nfs/dbraw/zinc/01/98/85/527019885.db2.gz YLXWSUWCCNOAJH-UHFFFAOYSA-N -2 3 283.284 1.238 10 0 CDAEHL CCC[C@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087501915 538176356 /nfs/dbraw/zinc/17/63/56/538176356.db2.gz NNRZILVOFYMVQK-SECBINFHSA-N -2 3 289.328 1.605 10 0 CDAEHL O=C(c1c([O-])cccc1F)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221472 621396198 /nfs/dbraw/zinc/39/61/98/621396198.db2.gz NZTURCCSHVJUMO-QMMMGPOBSA-N -2 3 291.282 1.590 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@]12C[C@@H]1CCCC2 ZINC000903038926 625788706 /nfs/dbraw/zinc/78/87/06/625788706.db2.gz OMIWPFYDZSDFJV-TVQRCGJNSA-N -2 3 299.348 1.836 10 0 CDAEHL COc1cccc([O-])c1C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001365121449 955620675 /nfs/dbraw/zinc/62/06/75/955620675.db2.gz TVIRQSVBFSEKFL-MRVPVSSYSA-N -2 3 291.307 1.331 10 0 CDAEHL CS(=O)(=O)[N-]c1c(F)cc(Cl)cc1C(=O)[O-] ZINC000220309128 342236439 /nfs/dbraw/zinc/23/64/39/342236439.db2.gz UASBWGBDKXFHGI-UHFFFAOYSA-N -2 3 267.665 1.549 10 0 CDAEHL COc1cc(=NC(=O)c2c(F)ccc([O-])c2F)[n-]n1C ZINC000571603279 362693940 /nfs/dbraw/zinc/69/39/40/362693940.db2.gz YKJKSXFFXODMEJ-UHFFFAOYSA-N -2 3 283.234 1.087 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c1C(=O)[O-] ZINC000565056438 370341778 /nfs/dbraw/zinc/34/17/78/370341778.db2.gz WTBNHIZXXXBQDH-MWLCHTKSSA-N -2 3 299.348 1.612 10 0 CDAEHL Nc1cc([O-])c(I)cc1C(=O)[O-] ZINC000575718866 374017355 /nfs/dbraw/zinc/01/73/55/374017355.db2.gz IUINWJMLFUNQIJ-UHFFFAOYSA-N -2 3 279.033 1.277 10 0 CDAEHL COc1ccc([O-])c(C(=O)N[C@H](C)CCC(=O)[O-])c1 ZINC000070310348 379370667 /nfs/dbraw/zinc/37/06/67/379370667.db2.gz UANDQXDQUZFMKM-MRVPVSSYSA-N -2 3 267.281 1.384 10 0 CDAEHL CCOCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040588893 174345965 /nfs/dbraw/zinc/34/59/65/174345965.db2.gz YOOSZIUGZFJBTL-UHFFFAOYSA-N -2 3 268.269 1.248 10 0 CDAEHL O=C([O-])CCCN(C(=O)c1cnn[n-]1)c1ccccc1 ZINC000071215087 176086306 /nfs/dbraw/zinc/08/63/06/176086306.db2.gz LFKRVZMYTKYBLW-UHFFFAOYSA-N -2 3 274.280 1.316 10 0 CDAEHL O=C([O-])CCCN(C(=O)c1c[n-]nn1)c1ccccc1 ZINC000071215087 176086307 /nfs/dbraw/zinc/08/63/07/176086307.db2.gz LFKRVZMYTKYBLW-UHFFFAOYSA-N -2 3 274.280 1.316 10 0 CDAEHL O=C([O-])CCCN(C(=O)c1cn[n-]n1)c1ccccc1 ZINC000071215087 176086310 /nfs/dbraw/zinc/08/63/10/176086310.db2.gz LFKRVZMYTKYBLW-UHFFFAOYSA-N -2 3 274.280 1.316 10 0 CDAEHL COc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000234949899 280125817 /nfs/dbraw/zinc/12/58/17/280125817.db2.gz IISSANIKLGUDKD-ZANVPECISA-N -2 3 293.319 1.726 10 0 CDAEHL CC(C)(CCC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000548554882 289900328 /nfs/dbraw/zinc/90/03/28/289900328.db2.gz DBEJTBLSSIEHNW-UHFFFAOYSA-N -2 3 291.394 1.917 10 0 CDAEHL Cn1cnc(=NC(=O)c2cc3cc(Cl)sc3[n-]2)[n-]1 ZINC000558354124 290387787 /nfs/dbraw/zinc/38/77/87/290387787.db2.gz XAULAPMYGUXCSP-UHFFFAOYSA-N -2 3 281.728 1.686 10 0 CDAEHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000576282529 317110457 /nfs/dbraw/zinc/11/04/57/317110457.db2.gz IUBCBHKJHRDFJC-KCJUWKMLSA-N -2 3 273.310 1.201 10 0 CDAEHL CC[C@H]1CCCC[C@@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592084 523049423 /nfs/dbraw/zinc/04/94/23/523049423.db2.gz UBOUOAWVAVRSHZ-IUCAKERBSA-N -2 3 285.369 1.889 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1c(F)cccc1C(=O)[O-] ZINC000061593822 523093514 /nfs/dbraw/zinc/09/35/14/523093514.db2.gz MITRZQZHGHEINQ-UHFFFAOYSA-N -2 3 283.284 1.580 10 0 CDAEHL O=C(OCc1cc(=O)c([O-])co1)c1c([O-])cc(F)cc1F ZINC000736801709 575751868 /nfs/dbraw/zinc/75/18/68/575751868.db2.gz CAKFIPIBIHHZQE-UHFFFAOYSA-N -2 3 298.197 1.686 10 0 CDAEHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000309274117 813775439 /nfs/dbraw/zinc/77/54/39/813775439.db2.gz FVXPRPISLRYSEK-UPHRSURJSA-N -2 3 281.742 1.321 10 0 CDAEHL CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC(F)(F)C1 ZINC000720979090 935278075 /nfs/dbraw/zinc/27/80/75/935278075.db2.gz ZDYLNIDDFPFKJH-UHFFFAOYSA-N -2 3 295.263 1.444 10 0 CDAEHL CCOc1cc(-c2nn[n-]n2)cc(Br)c1[O-] ZINC000095176074 345115043 /nfs/dbraw/zinc/11/50/43/345115043.db2.gz BMGVJUXUWBWPDW-UHFFFAOYSA-N -2 3 285.101 1.734 10 0 CDAEHL O=c1[n-]c(-c2nc[n-]n2)nc(C2CC2)c1Br ZINC000085450058 179065316 /nfs/dbraw/zinc/06/53/16/179065316.db2.gz MGYIHOMATDXZCD-UHFFFAOYSA-N -2 3 282.101 1.607 10 0 CDAEHL COc1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])c([O-])c1 ZINC000622000251 350925456 /nfs/dbraw/zinc/92/54/56/350925456.db2.gz CTOLRHLYGFOVHG-CYBMUJFWSA-N -2 3 285.271 1.334 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@H]1c1ccsc1 ZINC000637128250 359248197 /nfs/dbraw/zinc/24/81/97/359248197.db2.gz NDNRMLAVRDSHBI-DTWKUNHWSA-N -2 3 261.306 1.408 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)F)sc1C(=O)[O-] ZINC000414337628 241160291 /nfs/dbraw/zinc/16/02/91/241160291.db2.gz JHMDBGHJQFKLFD-ZETCQYMHSA-N -2 3 295.357 1.781 10 0 CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000630434649 368953335 /nfs/dbraw/zinc/95/33/35/368953335.db2.gz FXXCDWFTPPPXHM-VXNVDRBHSA-N -2 3 261.299 1.057 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000274986331 371199264 /nfs/dbraw/zinc/19/92/64/371199264.db2.gz YJSZDWKNOVPDTH-ZETCQYMHSA-N -2 3 291.300 1.301 10 0 CDAEHL COc1nc([N-]C(=O)c2c(F)ccc(F)c2F)n[n-]1 ZINC000185910908 140050685 /nfs/dbraw/zinc/05/06/85/140050685.db2.gz LDVXLVWGHYXDNB-UHFFFAOYSA-N -2 3 272.186 1.483 10 0 CDAEHL Cc1cccc2cc(S(=O)(=O)[N-]CCC(=O)[O-])sc21 ZINC000645936852 393404023 /nfs/dbraw/zinc/40/40/23/393404023.db2.gz GTSGAYIFGRZIQW-UHFFFAOYSA-N -2 3 299.373 1.963 10 0 CDAEHL Cc1nc(C(=O)[N-]c2ccc(C(=O)[O-])cc2F)no1 ZINC000071382487 176146020 /nfs/dbraw/zinc/14/60/20/176146020.db2.gz NBMRIFYJPQBTAA-UHFFFAOYSA-N -2 3 265.200 1.468 10 0 CDAEHL CC[C@H](C)C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000054468758 523884514 /nfs/dbraw/zinc/88/45/14/523884514.db2.gz CBQGDHAIERAOOA-QMMMGPOBSA-N -2 3 291.394 1.700 10 0 CDAEHL C[C@H](C1CCCCC1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592123 526216230 /nfs/dbraw/zinc/21/62/30/526216230.db2.gz OVUUEMZZAZKUCE-MRVPVSSYSA-N -2 3 285.369 1.889 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1c(F)cccc1C(=O)[O-] ZINC000061592266 527021893 /nfs/dbraw/zinc/02/18/93/527021893.db2.gz DFXSXVCRUGITNE-UHFFFAOYSA-N -2 3 269.257 1.097 10 0 CDAEHL CC[C@H](CSC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993002 818788971 /nfs/dbraw/zinc/78/89/71/818788971.db2.gz CTEAIGQXLOFNLB-SSDOTTSWSA-N -2 3 293.366 1.398 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)o1 ZINC000650427510 821210512 /nfs/dbraw/zinc/21/05/12/821210512.db2.gz LGGVAKVLHGNURN-MRVPVSSYSA-N -2 3 273.310 1.120 10 0 CDAEHL COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccccc1[O-] ZINC000701386483 822385554 /nfs/dbraw/zinc/38/55/54/822385554.db2.gz ZOEDUTGPZKFHPB-CQSZACIVSA-N -2 3 279.292 1.098 10 0 CDAEHL O=C(Cc1ccc([O-])c(F)c1)NCCc1n[n-]c(=S)o1 ZINC001138524630 936544030 /nfs/dbraw/zinc/54/40/30/936544030.db2.gz GGRPXTRLJYARIH-UHFFFAOYSA-N -2 3 297.311 1.104 10 0 CDAEHL Cc1ccc(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000711530114 923684737 /nfs/dbraw/zinc/68/47/37/923684737.db2.gz PSDOQCDLUSJKRM-AWEZNQCLSA-N -2 3 279.292 1.016 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)c(F)cc1F ZINC001301574523 955960732 /nfs/dbraw/zinc/96/07/32/955960732.db2.gz LJRDCFXYDWHLNH-UHFFFAOYSA-N -2 3 299.208 1.235 10 0 CDAEHL CC(C)(C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000082527275 178089095 /nfs/dbraw/zinc/08/90/95/178089095.db2.gz ASZNAONVYLBBGI-UHFFFAOYSA-N -2 3 263.340 1.987 10 0 CDAEHL COc1nc([N-]C(=O)c2ncoc2C(F)(F)F)n[n-]1 ZINC000613195572 347461416 /nfs/dbraw/zinc/46/14/16/347461416.db2.gz JFBKYQXMLAYDJK-UHFFFAOYSA-N -2 3 277.162 1.072 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(COC(C)(C)C)on2)n[n-]1 ZINC000186301146 357635941 /nfs/dbraw/zinc/63/59/41/357635941.db2.gz UWUICVUNSIOWKC-UHFFFAOYSA-N -2 3 295.299 1.369 10 0 CDAEHL O=C(NCc1ccc([O-])c(F)c1)NCc1ncccc1[O-] ZINC000471892758 365013912 /nfs/dbraw/zinc/01/39/12/365013912.db2.gz LZDBOOCKDAYRLY-UHFFFAOYSA-N -2 3 291.282 1.631 10 0 CDAEHL COc1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c([O-])c1 ZINC000630320976 368720482 /nfs/dbraw/zinc/72/04/82/368720482.db2.gz BLYRNPFKXOQXTE-UHFFFAOYSA-N -2 3 291.303 1.623 10 0 CDAEHL CCC[N-]S(=O)(=O)c1ccc([S@](=O)[O-])cc1F ZINC000675062478 541980031 /nfs/dbraw/zinc/98/00/31/541980031.db2.gz UPLKRCJKYBYUJE-UHFFFAOYSA-N -2 3 281.330 1.095 10 0 CDAEHL O=C([O-])c1cc(Br)cc2[nH][n-]c(=O)c21 ZINC000014983936 304221129 /nfs/dbraw/zinc/22/11/29/304221129.db2.gz ZCDAIPVPQCEYSI-UHFFFAOYSA-N -2 3 257.043 1.729 10 0 CDAEHL Cc1nc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c[nH]1 ZINC000547938083 289820661 /nfs/dbraw/zinc/82/06/61/289820661.db2.gz UAEXUWZSIUWTKB-QMMMGPOBSA-N -2 3 289.357 1.030 10 0 CDAEHL O=C([O-])[C@@H]1CCCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000519118974 265324810 /nfs/dbraw/zinc/32/48/10/265324810.db2.gz WBLAHCIIINKVDU-SNVBAGLBSA-N -2 3 288.307 1.085 10 0 CDAEHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccc(F)c1 ZINC000551910062 290024729 /nfs/dbraw/zinc/02/47/29/290024729.db2.gz HJQWIXGOYXSOGW-NSHDSACASA-N -2 3 299.279 1.523 10 0 CDAEHL CC[C@@H](C)[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591950 522363167 /nfs/dbraw/zinc/36/31/67/522363167.db2.gz NCKZMNDQHKRIFU-RQJHMYQMSA-N -2 3 259.331 1.355 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062767223 523094085 /nfs/dbraw/zinc/09/40/85/523094085.db2.gz YGRRTAWIGLXJFQ-BDAKNGLRSA-N -2 3 285.369 1.717 10 0 CDAEHL CCn1c(=O)[n-]nc1SCc1occc1C(=O)[O-] ZINC000060059714 523093860 /nfs/dbraw/zinc/09/38/60/523093860.db2.gz DGIKQLXLCZDBEY-UHFFFAOYSA-N -2 3 269.282 1.175 10 0 CDAEHL Cc1cccc(Cn2c(=O)[n-]nc2SCC(=O)[O-])c1 ZINC000061591788 524489597 /nfs/dbraw/zinc/48/95/97/524489597.db2.gz IJCRKUKZHAPRHJ-UHFFFAOYSA-N -2 3 279.321 1.105 10 0 CDAEHL Cc1ccc(OCCC(=O)[N-]OCC(=O)[O-])cc1C ZINC000069055095 525402971 /nfs/dbraw/zinc/40/29/71/525402971.db2.gz HEQUYVQYUVRXSQ-UHFFFAOYSA-N -2 3 267.281 1.205 10 0 CDAEHL O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc(F)cc1[O-] ZINC001654690513 1171630318 /nfs/dbraw/zinc/63/03/18/1171630318.db2.gz PAZPTKRXQNHNAQ-UHFFFAOYSA-N -2 3 295.295 1.246 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000871995388 828659469 /nfs/dbraw/zinc/65/94/69/828659469.db2.gz VSDUYSSHAZIHHV-UHFFFAOYSA-N -2 3 271.294 1.222 10 0 CDAEHL O=C(c1ccc(Cl)c([O-])c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001434314792 961155763 /nfs/dbraw/zinc/15/57/63/961155763.db2.gz NHNSYGIVHIYOJE-MRVPVSSYSA-N -2 3 293.714 1.188 10 0 CDAEHL CCO[C@@H](CS(=O)(=O)[N-]c1ccccc1[O-])C1CC1 ZINC000629283255 361810171 /nfs/dbraw/zinc/81/01/71/361810171.db2.gz RBFDSNGPJULINE-ZDUSSCGKSA-N -2 3 285.365 1.949 10 0 CDAEHL O=C(CCCCP(=O)([O-])[O-])Nc1cccc(O)c1 ZINC000096907984 185127381 /nfs/dbraw/zinc/12/73/81/185127381.db2.gz KXZQWZPFMMDVNX-UHFFFAOYSA-N -2 3 273.225 1.679 10 0 CDAEHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c1 ZINC000571658273 372788676 /nfs/dbraw/zinc/78/86/76/372788676.db2.gz WNNGDRMYADFDIB-SKDRFNHKSA-N -2 3 299.348 1.612 10 0 CDAEHL COc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C1(C)CC1 ZINC000634553759 379665678 /nfs/dbraw/zinc/66/56/78/379665678.db2.gz GYRGIENIBCEKQZ-UHFFFAOYSA-N -2 3 285.321 1.688 10 0 CDAEHL Cc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c([O-])c1 ZINC000526960794 391236248 /nfs/dbraw/zinc/23/62/48/391236248.db2.gz NJTGZYUZXHIVOU-ZDUSSCGKSA-N -2 3 287.319 1.949 10 0 CDAEHL Cc1ccc([O-])c(C(=O)NCc2ncccc2[O-])c1 ZINC000352502561 155232075 /nfs/dbraw/zinc/23/20/75/155232075.db2.gz WERGWKYDHVOUQR-UHFFFAOYSA-N -2 3 258.277 1.731 10 0 CDAEHL Cc1cc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)no1 ZINC000020257792 171112909 /nfs/dbraw/zinc/11/29/09/171112909.db2.gz HAPNZXQYRJKDAX-UHFFFAOYSA-N -2 3 296.304 1.623 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCSCC2)c([O-])c1 ZINC000040558226 174332814 /nfs/dbraw/zinc/33/28/14/174332814.db2.gz JUJLNJBPZANYGP-UHFFFAOYSA-N -2 3 282.321 1.671 10 0 CDAEHL Cc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])no1 ZINC000044728510 175239427 /nfs/dbraw/zinc/23/94/27/175239427.db2.gz RZTAPTGCZYWOSJ-UHFFFAOYSA-N -2 3 291.263 1.709 10 0 CDAEHL O=c1cc([O-])nc(-c2cc(Br)cs2)[n-]1 ZINC000070942197 176015154 /nfs/dbraw/zinc/01/51/54/176015154.db2.gz MYMAXMVHUJLCRG-UHFFFAOYSA-N -2 3 273.111 1.967 10 0 CDAEHL Cc1ccc([C@@H](C)n2c(=O)[n-]nc2SCC(=O)[O-])cc1 ZINC000061592052 525754220 /nfs/dbraw/zinc/75/42/20/525754220.db2.gz BNAXPERJCCEITH-SECBINFHSA-N -2 3 293.348 1.666 10 0 CDAEHL CSC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000910878667 618564542 /nfs/dbraw/zinc/56/45/42/618564542.db2.gz JGCHEKUADSQKTR-VIFPVBQESA-N -2 3 269.322 1.247 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCCC3)c1 ZINC000694228763 1159425182 /nfs/dbraw/zinc/42/51/82/1159425182.db2.gz BXQHGURJPOPSAI-MFKMUULPSA-N -2 3 299.348 1.836 10 0 CDAEHL O=C([N-]Oc1ccc(F)cc1)c1cnc(C2CC2)[n-]c1=O ZINC001628860857 1166101785 /nfs/dbraw/zinc/10/17/85/1166101785.db2.gz MBLQILAESUYGNK-UHFFFAOYSA-N -2 3 289.266 1.923 10 0 CDAEHL C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000871770077 835462853 /nfs/dbraw/zinc/46/28/53/835462853.db2.gz LHADFEVMVDIRIB-OPRDCNLKSA-N -2 3 287.337 1.447 10 0 CDAEHL O=C([O-])COc1ccc(CP(=O)([O-])[O-])c2cccnc12 ZINC000584639353 346512035 /nfs/dbraw/zinc/51/20/35/346512035.db2.gz SWUJTTPKXWCDFO-UHFFFAOYSA-N -3 3 297.203 1.376 10 0 CDAEHL Cc1cc(NC(=O)[C@@H](N)CCC(=O)[O-])cc(C(=O)[O-])c1C ZINC000085844753 179185996 /nfs/dbraw/zinc/18/59/96/179185996.db2.gz SCLPRPLSNAECIA-NSHDSACASA-N -2 3 294.307 1.132 10 0 CDAEHL Cc1noc(=NC([O-])=C2C[C@@]2(F)c2ccccc2)[n-]1 ZINC000334563581 379039910 /nfs/dbraw/zinc/03/99/10/379039910.db2.gz NICQASDFWQQPBN-GXFFZTMASA-N -2 3 261.256 1.623 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3cccs3)on2)n[n-]1 ZINC000158912184 392460201 /nfs/dbraw/zinc/46/02/01/392460201.db2.gz YDAZUEYKFWQOAX-UHFFFAOYSA-N -2 3 291.292 1.782 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)o1 ZINC000650408746 397914867 /nfs/dbraw/zinc/91/48/67/397914867.db2.gz HAVXERUCBZYNNO-VIFPVBQESA-N -2 3 289.353 1.756 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)c1cc(-n2cccc2)ccn1 ZINC000343712776 152275110 /nfs/dbraw/zinc/27/51/10/152275110.db2.gz GGQMOERJGUKZAM-UHFFFAOYSA-N -2 3 281.275 1.042 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000070711972 176002909 /nfs/dbraw/zinc/00/29/09/176002909.db2.gz PHURCFTYUNKDTJ-UHFFFAOYSA-N -2 3 263.340 1.844 10 0 CDAEHL Cc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000659231298 423831473 /nfs/dbraw/zinc/83/14/73/423831473.db2.gz NUPDJNLUBCMDSY-AOOOYVTPSA-N -2 3 263.293 1.636 10 0 CDAEHL O=c1[n-]c(SCc2cc(=O)[n-]c(C3CC3)n2)n[nH]1 ZINC000556841522 290308185 /nfs/dbraw/zinc/30/81/85/290308185.db2.gz QHGFUKHTCDDLKS-UHFFFAOYSA-N -2 3 265.298 1.176 10 0 CDAEHL CCNC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000061297988 519906061 /nfs/dbraw/zinc/90/60/61/519906061.db2.gz IFZZEBGCISRMGA-UHFFFAOYSA-N -2 3 294.307 1.410 10 0 CDAEHL CCN(Cc1nc(=O)c2sccc2[n-]1)C[C@@H](C)C(=O)[O-] ZINC000061219401 521456663 /nfs/dbraw/zinc/45/66/63/521456663.db2.gz JHTAHELFTBAVPL-MRVPVSSYSA-N -2 3 295.364 1.527 10 0 CDAEHL O=C(Nc1nnn[n-]1)c1ccc2c(c1[O-])CCCC2 ZINC000182717624 527540736 /nfs/dbraw/zinc/54/07/36/527540736.db2.gz TXVUVQVCQIAMPU-UHFFFAOYSA-N -2 3 259.269 1.036 10 0 CDAEHL O=C(Nc1nn[n-]n1)c1ccc2c(c1[O-])CCCC2 ZINC000182717624 527540738 /nfs/dbraw/zinc/54/07/38/527540738.db2.gz TXVUVQVCQIAMPU-UHFFFAOYSA-N -2 3 259.269 1.036 10 0 CDAEHL O=C([O-])CO[N-]C(=O)/C=C/c1ccc(Cl)s1 ZINC000068892897 527615474 /nfs/dbraw/zinc/61/54/74/527615474.db2.gz WADLEPKNKVQVEZ-DUXPYHPUSA-N -2 3 261.686 1.547 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCC2CC2)o1 ZINC000716314247 838217353 /nfs/dbraw/zinc/21/73/53/838217353.db2.gz GNEXNILWKAZIIH-UHFFFAOYSA-N -2 3 287.337 1.836 10 0 CDAEHL CCCCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992835 840837645 /nfs/dbraw/zinc/83/76/45/840837645.db2.gz FKHNCBFJEBTSFO-UHFFFAOYSA-N -2 3 275.326 1.836 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)o1 ZINC000829854967 841926867 /nfs/dbraw/zinc/92/68/67/841926867.db2.gz OTOCEMYPJKMSCL-SECBINFHSA-N -2 3 273.310 1.120 10 0 CDAEHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nn(C)cc1[O-] ZINC001412760882 934325847 /nfs/dbraw/zinc/32/58/47/934325847.db2.gz FMKOUONKUUDYLA-ZETCQYMHSA-N -2 3 295.726 1.976 10 0 CDAEHL CC(C)(C)n1nnc(C(=O)[N-]c2c([O-])cccc2F)n1 ZINC000613030073 347372943 /nfs/dbraw/zinc/37/29/43/347372943.db2.gz YKGVQMBUJTWKDJ-UHFFFAOYSA-N -2 3 279.275 1.525 10 0 CDAEHL C[C@H](C(=O)[O-])c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113519785 349249008 /nfs/dbraw/zinc/24/90/08/349249008.db2.gz FEPFCEMKMFONAR-LURJTMIESA-N -2 3 261.274 1.385 10 0 CDAEHL O=C([O-])C1CN([C@@H]2CC[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)C1 ZINC000725270958 538461673 /nfs/dbraw/zinc/46/16/73/538461673.db2.gz HCEIUHPCLSPPQW-IWSPIJDZSA-N -2 3 295.257 1.435 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CC1)c1cc2ccccc2cc1[O-] ZINC000436836007 361587071 /nfs/dbraw/zinc/58/70/71/361587071.db2.gz CIYAIDOYBJFRET-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CC1)c1cc2ccccc2cc1[O-] ZINC000436836007 361587075 /nfs/dbraw/zinc/58/70/75/361587075.db2.gz CIYAIDOYBJFRET-UHFFFAOYSA-N -2 3 295.302 1.478 10 0 CDAEHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000580283558 365484620 /nfs/dbraw/zinc/48/46/20/365484620.db2.gz DEOGSCLPDRPKTF-BDAKNGLRSA-N -2 3 289.328 1.522 10 0 CDAEHL N[C@@H](c1cc(Br)cs1)P(=O)([O-])[O-] ZINC000307526625 372987457 /nfs/dbraw/zinc/98/74/57/372987457.db2.gz FHRFTBVMSJAJCP-RXMQYKEDSA-N -2 3 272.060 1.646 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])o1 ZINC000650407379 397914246 /nfs/dbraw/zinc/91/42/46/397914246.db2.gz FFQOGKPRAZZKFS-UHFFFAOYSA-N -2 3 275.326 1.367 10 0 CDAEHL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1[O-] ZINC000010150637 170398552 /nfs/dbraw/zinc/39/85/52/170398552.db2.gz IQGKJQLLWIALDO-NXEZZACHSA-N -2 3 261.277 1.998 10 0 CDAEHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000021963086 171343002 /nfs/dbraw/zinc/34/30/02/171343002.db2.gz BTEYGZQXOOESPM-IONNQARKSA-N -2 3 277.367 1.526 10 0 CDAEHL COC([O-])=NC(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000037429625 173200070 /nfs/dbraw/zinc/20/00/70/173200070.db2.gz JTEUJKKVEKTOFH-UHFFFAOYSA-N -2 3 269.278 1.360 10 0 CDAEHL COC(=O)[N-]C(=O)CSc1ccc(C(=O)[O-])cc1 ZINC000037429625 173200073 /nfs/dbraw/zinc/20/00/73/173200073.db2.gz JTEUJKKVEKTOFH-UHFFFAOYSA-N -2 3 269.278 1.360 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)oc1C(=O)[O-] ZINC000663428197 414251092 /nfs/dbraw/zinc/25/10/92/414251092.db2.gz OPWOMIQQHAYDIC-LPEHRKFASA-N -2 3 299.348 1.753 10 0 CDAEHL COCc1sc2[n-]c(COCC(=O)[O-])nc(=O)c2c1C ZINC000045018992 175291271 /nfs/dbraw/zinc/29/12/71/175291271.db2.gz WEKJMKLVORWIRQ-UHFFFAOYSA-N -2 3 298.320 1.041 10 0 CDAEHL O=C([O-])c1ccc(CNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000071381223 176145205 /nfs/dbraw/zinc/14/52/05/176145205.db2.gz GAOLTSSNBIXECF-UHFFFAOYSA-N -2 3 285.263 1.770 10 0 CDAEHL O=C([O-])c1ccc(CNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000071381223 176145207 /nfs/dbraw/zinc/14/52/07/176145207.db2.gz GAOLTSSNBIXECF-UHFFFAOYSA-N -2 3 285.263 1.770 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])o1 ZINC000574274517 294975444 /nfs/dbraw/zinc/97/54/44/294975444.db2.gz IISKZWOVPJVMJI-ZETCQYMHSA-N -2 3 261.299 1.120 10 0 CDAEHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000052276376 525499066 /nfs/dbraw/zinc/49/90/66/525499066.db2.gz AMUKLRLMTGOAHE-IYSWYEEDSA-N -2 3 261.324 1.133 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000069055089 527614605 /nfs/dbraw/zinc/61/46/05/527614605.db2.gz UFNIRQSXVABOIN-UHFFFAOYSA-N -2 3 277.198 1.380 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCCc1c[nH]c2ccccc12 ZINC000069055029 527614853 /nfs/dbraw/zinc/61/48/53/527614853.db2.gz CCMCGKVGGAXNFS-UHFFFAOYSA-N -2 3 276.292 1.623 10 0 CDAEHL CC(=O)c1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)cc1[O-] ZINC000909948912 628773005 /nfs/dbraw/zinc/77/30/05/628773005.db2.gz OTBFWTLPUIUHMK-UHFFFAOYSA-N -2 3 289.287 1.284 10 0 CDAEHL O=C([O-])C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909965316 628781124 /nfs/dbraw/zinc/78/11/24/628781124.db2.gz GBUHVTQBMPHPPA-NSHDSACASA-N -2 3 295.310 1.691 10 0 CDAEHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1c(F)ccnc1F ZINC001610939746 1165476748 /nfs/dbraw/zinc/47/67/48/1165476748.db2.gz JFAURIUJKIZTTM-UHFFFAOYSA-N -2 3 291.217 1.990 10 0 CDAEHL CC(C)C(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995445 844185689 /nfs/dbraw/zinc/18/56/89/844185689.db2.gz XSPIYIZLTOKFKK-UHFFFAOYSA-N -2 3 275.326 1.691 10 0 CDAEHL CC(C)CCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993806 846472114 /nfs/dbraw/zinc/47/21/14/846472114.db2.gz QWBQPKKGXGUMSR-UHFFFAOYSA-N -2 3 275.326 1.692 10 0 CDAEHL Cc1nc(C=Cc2cn[nH]c2)[n-]c(=O)c1CC(=O)[O-] ZINC000794711931 847675287 /nfs/dbraw/zinc/67/52/87/847675287.db2.gz GPMZAGYPJWUPPD-IHWYPQMZSA-N -2 3 260.253 1.011 10 0 CDAEHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1c([O-])cccc1F ZINC000795323013 934798818 /nfs/dbraw/zinc/79/88/18/934798818.db2.gz BIYQGHMJVSLIPU-SECBINFHSA-N -2 3 289.328 1.700 10 0 CDAEHL CC[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000274884470 365842174 /nfs/dbraw/zinc/84/21/74/365842174.db2.gz DPEZQSURQBRBEI-MRVPVSSYSA-N -2 3 287.337 1.878 10 0 CDAEHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CC2CC2)c1 ZINC000086496832 179302497 /nfs/dbraw/zinc/30/24/97/179302497.db2.gz GYBFPMWBOGHAMI-UHFFFAOYSA-N -2 3 273.285 1.676 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000080187929 358091391 /nfs/dbraw/zinc/09/13/91/358091391.db2.gz KZRJNSVRZRFZBJ-UHFFFAOYSA-N -2 3 273.310 1.488 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000230075220 360236040 /nfs/dbraw/zinc/23/60/40/360236040.db2.gz RPGVOPGAYUEYNB-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1[O-] ZINC000135576150 369711013 /nfs/dbraw/zinc/71/10/13/369711013.db2.gz FILCTXATLUIPBX-UHFFFAOYSA-N -2 3 295.302 1.748 10 0 CDAEHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1[O-] ZINC000135576150 369711017 /nfs/dbraw/zinc/71/10/17/369711017.db2.gz FILCTXATLUIPBX-UHFFFAOYSA-N -2 3 295.302 1.748 10 0 CDAEHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000564925901 370300774 /nfs/dbraw/zinc/30/07/74/370300774.db2.gz DLTHHHCUONZVGN-CDAZIORVSA-N -2 3 273.310 1.286 10 0 CDAEHL CC[C@H](C)[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000021959083 171342306 /nfs/dbraw/zinc/34/23/06/171342306.db2.gz HWPMXBDSDKMBHS-GZMMTYOYSA-N -2 3 251.282 1.621 10 0 CDAEHL CCc1cc(C(=O)[O-])c([N-]C(=O)c2noc(C)n2)s1 ZINC000071382490 176146113 /nfs/dbraw/zinc/14/61/13/176146113.db2.gz XFOGYQCLOADZOR-UHFFFAOYSA-N -2 3 281.293 1.952 10 0 CDAEHL CC(C)(CCC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570992191 294348325 /nfs/dbraw/zinc/34/83/25/294348325.db2.gz RJUUNOXTWYOIJY-UHFFFAOYSA-N -2 3 275.326 1.449 10 0 CDAEHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000575872787 317031204 /nfs/dbraw/zinc/03/12/04/317031204.db2.gz ZALHWNSNOMOWQC-LLVKDONJSA-N -2 3 275.326 1.367 10 0 CDAEHL CCC[C@H](CC)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591893 521088654 /nfs/dbraw/zinc/08/86/54/521088654.db2.gz XJVBSTXSBURVFU-ZETCQYMHSA-N -2 3 259.331 1.499 10 0 CDAEHL CC(=O)N[C@@H](CCC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000069604608 519686983 /nfs/dbraw/zinc/68/69/83/519686983.db2.gz PWBGFMHOQYRWFJ-NSHDSACASA-N -2 3 285.727 1.958 10 0 CDAEHL CC[C@H]1CCCC[C@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592086 523068426 /nfs/dbraw/zinc/06/84/26/523068426.db2.gz UBOUOAWVAVRSHZ-DTWKUNHWSA-N -2 3 285.369 1.889 10 0 CDAEHL CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000737877991 576020105 /nfs/dbraw/zinc/02/01/05/576020105.db2.gz OMJGYPAMNJGJLE-KCJUWKMLSA-N -2 3 265.265 1.454 10 0 CDAEHL CC(C)=CC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000864449305 1164543370 /nfs/dbraw/zinc/54/33/70/1164543370.db2.gz HGKDQHRYLRCBDI-JTQLQIEISA-N -2 3 287.337 1.676 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC000712955726 697909860 /nfs/dbraw/zinc/90/98/60/697909860.db2.gz BRQBMGGWDSIRNQ-FEUHOPSXSA-N -2 3 275.304 1.684 10 0 CDAEHL Cc1ccc(C(=O)N2CC[C@H]3[C@@H](C2)[C@H]3C(=O)[O-])c([O-])c1 ZINC000721230451 848334861 /nfs/dbraw/zinc/33/48/61/848334861.db2.gz LUYKGLICNSHAGU-NDMJEZRESA-N -2 3 275.304 1.493 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@H]1NC(=O)c1ccc([O-])cc1 ZINC000085322570 179016000 /nfs/dbraw/zinc/01/60/00/179016000.db2.gz ZEVAPNHEAKPYRU-NWDGAFQWSA-N -2 3 263.293 1.765 10 0 CDAEHL CCCc1c(C)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000614185990 348028940 /nfs/dbraw/zinc/02/89/40/348028940.db2.gz TVGMPSSCKBEOBW-ZETCQYMHSA-N -2 3 268.704 1.974 10 0 CDAEHL CCc1cccc(C(=O)N=c2cc(OC)n(C)[n-]2)c1[O-] ZINC000548470519 359926953 /nfs/dbraw/zinc/92/69/53/359926953.db2.gz IAXKMQCQARBRBM-UHFFFAOYSA-N -2 3 275.308 1.371 10 0 CDAEHL CCc1cc(=O)[n-]c(CN(C)[C@H](CC(C)C)C(=O)[O-])n1 ZINC000566359280 370694171 /nfs/dbraw/zinc/69/41/71/370694171.db2.gz GEJFFRBTMJMEJQ-LLVKDONJSA-N -2 3 281.356 1.676 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)c1 ZINC000527208622 391003444 /nfs/dbraw/zinc/00/34/44/391003444.db2.gz ACMNQROHMKRSQZ-ZDUSSCGKSA-N -2 3 287.319 1.949 10 0 CDAEHL C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000430795336 392068739 /nfs/dbraw/zinc/06/87/39/392068739.db2.gz FVWKFQZGWPZEAP-HERUPUMHSA-N -2 3 269.304 1.592 10 0 CDAEHL COC[C@]1(C(=O)[O-])CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328444464 392650754 /nfs/dbraw/zinc/65/07/54/392650754.db2.gz ICAXVDFELWVMRI-AWEZNQCLSA-N -2 3 299.754 1.969 10 0 CDAEHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000021963091 171343175 /nfs/dbraw/zinc/34/31/75/171343175.db2.gz BTEYGZQXOOESPM-APPZFPTMSA-N -2 3 277.367 1.526 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000530150724 271117300 /nfs/dbraw/zinc/11/73/00/271117300.db2.gz XOICEYWKUPJOHC-KXUCPTDWSA-N -2 3 299.348 1.692 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c(F)c1 ZINC000404998959 482853015 /nfs/dbraw/zinc/85/30/15/482853015.db2.gz ISFFWTLWYIVOGL-BDAKNGLRSA-N -2 3 289.328 1.522 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC000070185632 527614922 /nfs/dbraw/zinc/61/49/22/527614922.db2.gz KJWXSSMUMQCKDJ-UHFFFAOYSA-N -2 3 278.091 1.668 10 0 CDAEHL O=C(CC1(C(=O)[O-])CCOCC1)[N-]OCCC1CC1 ZINC000911808811 629540058 /nfs/dbraw/zinc/54/00/58/629540058.db2.gz JCSROYKPXKBHLL-UHFFFAOYSA-N -2 3 271.313 1.106 10 0 CDAEHL O=C(CC1CCC(C(=O)[O-])CC1)[N-]OCC1CC1 ZINC000911809305 629540996 /nfs/dbraw/zinc/54/09/96/629540996.db2.gz LBUZERVWZUPGGV-UHFFFAOYSA-N -2 3 255.314 1.725 10 0 CDAEHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nn(C)cc1[O-] ZINC001363849138 953913361 /nfs/dbraw/zinc/91/33/61/953913361.db2.gz KPWBOPCWFJJXSI-MRVPVSSYSA-N -2 3 293.298 1.390 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000133212396 342069948 /nfs/dbraw/zinc/06/99/48/342069948.db2.gz REEFSYITAGQFFN-RKDXNWHRSA-N -2 3 289.328 1.522 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000343735781 539078107 /nfs/dbraw/zinc/07/81/07/539078107.db2.gz RANYWIAGWNYRAJ-RQJHMYQMSA-N -2 3 275.230 1.521 10 0 CDAEHL O=C(NN=c1cccn[n-]1)c1cc2c(cc1[O-])CCCC2 ZINC000077029648 342326579 /nfs/dbraw/zinc/32/65/79/342326579.db2.gz KAUASSZIZYBCOV-UHFFFAOYSA-N -2 3 284.319 1.818 10 0 CDAEHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)CC1CC1 ZINC000086496941 179303388 /nfs/dbraw/zinc/30/33/88/179303388.db2.gz SQPZKNOBYJWMCL-UHFFFAOYSA-N -2 3 291.275 1.815 10 0 CDAEHL CC(C)(C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000276770698 366146834 /nfs/dbraw/zinc/14/68/34/366146834.db2.gz BOZQGHPKDDTMKJ-UHFFFAOYSA-N -2 3 261.299 1.059 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000063153656 357508225 /nfs/dbraw/zinc/50/82/25/357508225.db2.gz CMSONYWUCWEPDY-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL O=c1[nH]cc(S(=O)(=O)[N-]c2ccccc2[O-])s1 ZINC000436477583 361518906 /nfs/dbraw/zinc/51/89/06/361518906.db2.gz IQJQUQQIZPHEAY-UHFFFAOYSA-N -2 3 272.307 1.355 10 0 CDAEHL CCC[C@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000572153339 377743395 /nfs/dbraw/zinc/74/33/95/377743395.db2.gz RBMYPSWTLNENOI-NSHDSACASA-N -2 3 275.326 1.510 10 0 CDAEHL CCCN(C)S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000268844914 132076508 /nfs/dbraw/zinc/07/65/08/132076508.db2.gz IVDHKVCQKLVFQU-UHFFFAOYSA-N -2 3 262.306 1.530 10 0 CDAEHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114099 147000042 /nfs/dbraw/zinc/00/00/42/147000042.db2.gz NZZVVYRQARSVQV-MRVPVSSYSA-N -2 3 289.328 1.847 10 0 CDAEHL O=C([O-])CCCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000020245444 171098859 /nfs/dbraw/zinc/09/88/59/171098859.db2.gz ARVBYLHKOURHQS-UHFFFAOYSA-N -2 3 279.264 1.571 10 0 CDAEHL CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-] ZINC000527489624 281144041 /nfs/dbraw/zinc/14/40/41/281144041.db2.gz TZQMVYJVOQVEML-UHFFFAOYSA-N -2 3 271.216 1.662 10 0 CDAEHL CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC000134696677 483267250 /nfs/dbraw/zinc/26/72/50/483267250.db2.gz UXDGRUHVESSGMJ-SSDOTTSWSA-N -2 3 292.382 1.554 10 0 CDAEHL C[C@H](c1ccccc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591821 526107071 /nfs/dbraw/zinc/10/70/71/526107071.db2.gz ZSTSYGNYJAWGHS-MRVPVSSYSA-N -2 3 279.321 1.357 10 0 CDAEHL O=C([O-])C1=CC[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000910202779 628895029 /nfs/dbraw/zinc/89/50/29/628895029.db2.gz WYZKJSSENKKRNS-SNVBAGLBSA-N -2 3 279.267 1.363 10 0 CDAEHL O=C(CC1(C(=O)[O-])CCOCC1)[N-]OCCC(F)(F)F ZINC000911805889 629536316 /nfs/dbraw/zinc/53/63/16/629536316.db2.gz PVUJPFLIZINYQF-UHFFFAOYSA-N -2 3 299.245 1.258 10 0 CDAEHL COc1ccc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001649255243 1158586352 /nfs/dbraw/zinc/58/63/52/1158586352.db2.gz PWHRWSKLONAKDU-QPUJVOFHSA-N -2 3 297.282 1.286 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000871995046 1165371365 /nfs/dbraw/zinc/37/13/65/1165371365.db2.gz HTQQOQMBCJVOMV-XHNCKOQMSA-N -2 3 285.321 1.445 10 0 CDAEHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993610 1165371446 /nfs/dbraw/zinc/37/14/46/1165371446.db2.gz PRHVFAWBOXQGHQ-JGVFFNPUSA-N -2 3 275.326 1.691 10 0 CDAEHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]O[C@@H](CO)C(C)C ZINC001468343670 970154690 /nfs/dbraw/zinc/15/46/90/970154690.db2.gz QHALVJOONKUKKE-JTQLQIEISA-N -2 3 297.355 1.292 10 0 CDAEHL COc1cc(-c2nn[n-]n2)cc(Br)c1[O-] ZINC000095191164 342430906 /nfs/dbraw/zinc/43/09/06/342430906.db2.gz AEFALBYETWHWOG-UHFFFAOYSA-N -2 3 271.074 1.343 10 0 CDAEHL C[C@H]1[C@@H]2C[C@H](C[C@@H]1N(CC(=O)[O-])CC(=O)[O-])C2(C)C ZINC000086003202 179213960 /nfs/dbraw/zinc/21/39/60/179213960.db2.gz WGDFPVCXQIKGKL-VLEAKVRGSA-N -2 3 269.341 1.528 10 0 CDAEHL CCCc1c(C)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000614185986 348028917 /nfs/dbraw/zinc/02/89/17/348028917.db2.gz TVGMPSSCKBEOBW-SSDOTTSWSA-N -2 3 268.704 1.974 10 0 CDAEHL O=C([O-])C[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000659203018 412597493 /nfs/dbraw/zinc/59/74/93/412597493.db2.gz FZPUBTZOGXKZHL-JTQLQIEISA-N -2 3 288.307 1.189 10 0 CDAEHL Cc1nc(C=Cc2ccnn2C)[n-]c(=O)c1CCC(=O)[O-] ZINC000347390726 359341503 /nfs/dbraw/zinc/34/15/03/359341503.db2.gz LEALMJXCGWXSOT-HYXAFXHYSA-N -2 3 288.307 1.412 10 0 CDAEHL Cc1ccc([N-]S(=O)(=O)[C@H]2CCO[C@@H]2C)c(C(=O)[O-])c1 ZINC000514768427 360373404 /nfs/dbraw/zinc/37/34/04/360373404.db2.gz OMUHXZAFGJETIC-SKDRFNHKSA-N -2 3 299.348 1.612 10 0 CDAEHL CO[C@@H](C)c1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000337943268 360559341 /nfs/dbraw/zinc/55/93/41/360559341.db2.gz CZMGTLDFVWVFMC-ZETCQYMHSA-N -2 3 266.326 1.380 10 0 CDAEHL CO[C@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC000630308940 368690849 /nfs/dbraw/zinc/69/08/49/368690849.db2.gz GBPWKFKLNYJCKA-MEBBXXQBSA-N -2 3 293.319 1.405 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c1F ZINC000274916685 371198011 /nfs/dbraw/zinc/19/80/11/371198011.db2.gz ACXJZACMVRWNQK-MRVPVSSYSA-N -2 3 289.328 1.523 10 0 CDAEHL Cc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000663152879 414006696 /nfs/dbraw/zinc/00/66/96/414006696.db2.gz MBHZXQFEKGKAPX-GFCCVEGCSA-N -2 3 277.320 1.931 10 0 CDAEHL COc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663154323 414011121 /nfs/dbraw/zinc/01/11/21/414011121.db2.gz ZSQIHFWLBOSPCZ-GFCCVEGCSA-N -2 3 293.319 1.632 10 0 CDAEHL O=C([O-])c1n[n-]c(NC(=O)c2ccc(Cl)cc2)n1 ZINC000038711284 174152918 /nfs/dbraw/zinc/15/29/18/174152918.db2.gz UYCOUWADRRSXMT-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCC(F)(F)F)c([O-])c1 ZINC000040546822 174325431 /nfs/dbraw/zinc/32/54/31/174325431.db2.gz VZWWYMWKSXHEKZ-UHFFFAOYSA-N -2 3 278.186 1.774 10 0 CDAEHL C[C@@H]1CO[C@@H](C)CN1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040578299 174343214 /nfs/dbraw/zinc/34/32/14/174343214.db2.gz WOMLYJLCKWRZRQ-BDAKNGLRSA-N -2 3 294.307 1.732 10 0 CDAEHL COc1nc([N-]C(=O)c2scnc2C(F)(F)F)n[n-]1 ZINC000579490785 324203576 /nfs/dbraw/zinc/20/35/76/324203576.db2.gz HEUZBDJWBLZRQC-UHFFFAOYSA-N -2 3 293.230 1.541 10 0 CDAEHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000580283560 324418790 /nfs/dbraw/zinc/41/87/90/324418790.db2.gz DEOGSCLPDRPKTF-IUCAKERBSA-N -2 3 289.328 1.522 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H](CC(=O)[O-])c1ccccc1 ZINC000062767206 523093175 /nfs/dbraw/zinc/09/31/75/523093175.db2.gz IYDYHNJWCLNXIM-JTQLQIEISA-N -2 3 293.348 1.899 10 0 CDAEHL Cc1nc(C2(c3ccccc3)CC2)[n-]c(=O)c1C(=O)[O-] ZINC000061618070 526770562 /nfs/dbraw/zinc/77/05/62/526770562.db2.gz XTELWAMFJPJINZ-UHFFFAOYSA-N -2 3 270.288 1.856 10 0 CDAEHL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1cnncc1[O-] ZINC001637487526 1166762280 /nfs/dbraw/zinc/76/22/80/1166762280.db2.gz LYMKLHOQUXSWSP-UHFFFAOYSA-N -2 3 297.274 1.530 10 0 CDAEHL C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000871770079 1165342830 /nfs/dbraw/zinc/34/28/30/1165342830.db2.gz LHADFEVMVDIRIB-UTLUCORTSA-N -2 3 287.337 1.447 10 0 CDAEHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871992827 1165371217 /nfs/dbraw/zinc/37/12/17/1165371217.db2.gz FGOCNKJXDUGZEN-BDAKNGLRSA-N -2 3 287.337 1.835 10 0 CDAEHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993609 1165371433 /nfs/dbraw/zinc/37/14/33/1165371433.db2.gz PRHVFAWBOXQGHQ-HTQZYQBOSA-N -2 3 275.326 1.691 10 0 CDAEHL N=c1[n-]nc(CCNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000355098233 539102267 /nfs/dbraw/zinc/10/22/67/539102267.db2.gz DKNVRBCFJVSWFZ-UHFFFAOYSA-N -2 3 298.302 1.313 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000149416937 362725724 /nfs/dbraw/zinc/72/57/24/362725724.db2.gz WZNQECXMXLAZSO-UHFFFAOYSA-N -2 3 275.301 1.922 10 0 CDAEHL O=C([O-])CC1([N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000084146882 373664096 /nfs/dbraw/zinc/66/40/96/373664096.db2.gz SKWPFCAHTAPNMG-UHFFFAOYSA-N -2 3 289.378 1.814 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C(C)C ZINC000647128732 390490015 /nfs/dbraw/zinc/49/00/15/390490015.db2.gz NGHFWRRJTSJPQF-GFCCVEGCSA-N -2 3 291.344 1.944 10 0 CDAEHL Nc1c(I)c([O-])ccc1C(=O)[O-] ZINC000575718925 391480686 /nfs/dbraw/zinc/48/06/86/391480686.db2.gz LKLHISDVDPMYEU-UHFFFAOYSA-N -2 3 279.033 1.277 10 0 CDAEHL CN(CCC(=O)[O-])C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263558783 131297807 /nfs/dbraw/zinc/29/78/07/131297807.db2.gz AMFOMFOOYAWENY-UHFFFAOYSA-N -2 3 277.320 1.818 10 0 CDAEHL COc1nc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n[n-]1 ZINC000352686645 155364605 /nfs/dbraw/zinc/36/46/05/155364605.db2.gz PBBWPZYKWIEJIM-UHFFFAOYSA-N -2 3 290.176 1.622 10 0 CDAEHL O=C([O-])CCCCn1[n-]c(=O)c2ccccc2c1=O ZINC000020474390 171218524 /nfs/dbraw/zinc/21/85/24/171218524.db2.gz QZJVBPKEYKKGHG-UHFFFAOYSA-N -2 3 262.265 1.357 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)[C@@H]2CCOC2)c([O-])c1 ZINC000040929789 174436156 /nfs/dbraw/zinc/43/61/56/174436156.db2.gz KUJAJXNCEMHYGU-MRVPVSSYSA-N -2 3 251.238 1.065 10 0 CDAEHL C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nnn[n-]1 ZINC000044345701 175165458 /nfs/dbraw/zinc/16/54/58/175165458.db2.gz LRJOBHVQBZMMRU-YFKPBYRVSA-N -2 3 267.676 1.050 10 0 CDAEHL C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nn[n-]n1 ZINC000044345701 175165459 /nfs/dbraw/zinc/16/54/59/175165459.db2.gz LRJOBHVQBZMMRU-YFKPBYRVSA-N -2 3 267.676 1.050 10 0 CDAEHL COCCCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000044678129 175227983 /nfs/dbraw/zinc/22/79/83/175227983.db2.gz HPKDZMMPWGRTHY-UHFFFAOYSA-N -2 3 282.296 1.639 10 0 CDAEHL Cc1cc(C)c(NC(=O)c2cnn[n-]2)c(C(=O)[O-])c1 ZINC000071215158 176086081 /nfs/dbraw/zinc/08/60/81/176086081.db2.gz MQGOFZMIZMTWFQ-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL Cc1cc(C)c(NC(=O)c2c[n-]nn2)c(C(=O)[O-])c1 ZINC000071215158 176086082 /nfs/dbraw/zinc/08/60/82/176086082.db2.gz MQGOFZMIZMTWFQ-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL Cc1cc(C)c(NC(=O)c2cn[n-]n2)c(C(=O)[O-])c1 ZINC000071215158 176086084 /nfs/dbraw/zinc/08/60/84/176086084.db2.gz MQGOFZMIZMTWFQ-UHFFFAOYSA-N -2 3 260.253 1.372 10 0 CDAEHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134715623 279788097 /nfs/dbraw/zinc/78/80/97/279788097.db2.gz VFWVDOUTYWXTAH-ZETCQYMHSA-N -2 3 292.382 1.412 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)(C)C ZINC000565718687 293668231 /nfs/dbraw/zinc/66/82/31/293668231.db2.gz DIZWFGICVPXGDS-ZCFIWIBFSA-N -2 3 292.382 1.554 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])o1 ZINC000576044140 317064053 /nfs/dbraw/zinc/06/40/53/317064053.db2.gz JRRJIPBTPGCHNE-NXEZZACHSA-N -2 3 287.337 1.367 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CCCC2)c1 ZINC000576820233 317213198 /nfs/dbraw/zinc/21/31/98/317213198.db2.gz QNZJRONXKHHBHP-UHFFFAOYSA-N -2 3 287.337 1.836 10 0 CDAEHL O=C(N=c1[n-]nc(C2CC2)s1)NCc1ncccc1[O-] ZINC000578935158 324060241 /nfs/dbraw/zinc/06/02/41/324060241.db2.gz YNMLCSCARNMRTL-UHFFFAOYSA-N -2 3 291.336 1.260 10 0 CDAEHL COC[C@](F)(ON=C([O-])OCc1ccccc1)C(=O)[O-] ZINC000536957927 330383585 /nfs/dbraw/zinc/38/35/85/330383585.db2.gz FITWZTWSSQTNLW-LBPRGKRZSA-N -2 3 287.243 1.241 10 0 CDAEHL COC[C@](F)(O[N-]C(=O)OCc1ccccc1)C(=O)[O-] ZINC000536957927 330383586 /nfs/dbraw/zinc/38/35/86/330383586.db2.gz FITWZTWSSQTNLW-LBPRGKRZSA-N -2 3 287.243 1.241 10 0 CDAEHL COC[C@@](F)(ON=C([O-])OCc1ccccc1)C(=O)[O-] ZINC000536957921 330383682 /nfs/dbraw/zinc/38/36/82/330383682.db2.gz FITWZTWSSQTNLW-GFCCVEGCSA-N -2 3 287.243 1.241 10 0 CDAEHL COC[C@@](F)(O[N-]C(=O)OCc1ccccc1)C(=O)[O-] ZINC000536957921 330383683 /nfs/dbraw/zinc/38/36/83/330383683.db2.gz FITWZTWSSQTNLW-GFCCVEGCSA-N -2 3 287.243 1.241 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1 ZINC000061593853 521616170 /nfs/dbraw/zinc/61/61/70/521616170.db2.gz UQVPWHQALIAGPC-UHFFFAOYSA-N -2 3 279.321 1.831 10 0 CDAEHL O=C([O-])Cc1cccc([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC000905989908 627084768 /nfs/dbraw/zinc/08/47/68/627084768.db2.gz IBACZFKCSWVKHR-UHFFFAOYSA-N -2 3 287.312 1.558 10 0 CDAEHL Cc1cnc(Cl)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001630647461 1166220872 /nfs/dbraw/zinc/22/08/72/1166220872.db2.gz XSELRBUYGQGYKE-UHFFFAOYSA-N -2 3 294.698 1.175 10 0 CDAEHL COC([O-])=NC(=O)CSc1ccc(CC(=O)[O-])cc1 ZINC000085958980 179203487 /nfs/dbraw/zinc/20/34/87/179203487.db2.gz CIRGRVNMCHWXHI-UHFFFAOYSA-N -2 3 283.305 1.288 10 0 CDAEHL COC(=O)[N-]C(=O)CSc1ccc(CC(=O)[O-])cc1 ZINC000085958980 179203490 /nfs/dbraw/zinc/20/34/90/179203490.db2.gz CIRGRVNMCHWXHI-UHFFFAOYSA-N -2 3 283.305 1.288 10 0 CDAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000164887257 371336910 /nfs/dbraw/zinc/33/69/10/371336910.db2.gz YVIIGTRAGLIVTN-LDYMZIIASA-N -2 3 289.378 1.670 10 0 CDAEHL CC[C@@H](C)[C@@H](NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000019386451 170779389 /nfs/dbraw/zinc/77/93/89/170779389.db2.gz FCJSTJWIVDEMIK-LDYMZIIASA-N -2 3 251.282 1.621 10 0 CDAEHL Cc1cc([N-]C(=O)NC(=O)CCCCC(=O)[O-])on1 ZINC000035325607 172127320 /nfs/dbraw/zinc/12/73/20/172127320.db2.gz OXMSAKDHZMIWIB-UHFFFAOYSA-N -2 3 269.257 1.276 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)CC(=O)[O-] ZINC000147324351 289067736 /nfs/dbraw/zinc/06/77/36/289067736.db2.gz NKGCWFLGMYUKBK-SECBINFHSA-N -2 3 290.341 1.071 10 0 CDAEHL CO[C@H](C)CS(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000193336125 523888350 /nfs/dbraw/zinc/88/83/50/523888350.db2.gz JTEPXKMRKMWZEE-SSDOTTSWSA-N -2 3 263.290 1.308 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCCC2 ZINC000871997166 678690340 /nfs/dbraw/zinc/69/03/40/678690340.db2.gz ZLNBXIISWZIGFU-UFBFGSQYSA-N -2 3 285.321 1.589 10 0 CDAEHL CC[C@H](C)[C@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263414289 679460578 /nfs/dbraw/zinc/46/05/78/679460578.db2.gz NMDZNECXKWOZAQ-WPRPVWTQSA-N -2 3 283.328 1.875 10 0 CDAEHL O=c1cc(CCc2cccc(C(F)(F)F)c2)[n-]nc1[O-] ZINC000095592279 185013982 /nfs/dbraw/zinc/01/39/82/185013982.db2.gz ZYHBNBNPWBZULJ-UHFFFAOYSA-N -2 3 284.237 1.867 10 0 CDAEHL O=S(=O)([N-]c1c([O-])cccc1F)N1CCCCC1 ZINC000608004547 345507048 /nfs/dbraw/zinc/50/70/48/345507048.db2.gz MKELBXWNKYEFQJ-UHFFFAOYSA-N -2 3 274.317 1.674 10 0 CDAEHL CC[C@H](CNC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000087485641 345714216 /nfs/dbraw/zinc/71/42/16/345714216.db2.gz LZVKGLCQCRJHBE-MRVPVSSYSA-N -2 3 267.281 1.241 10 0 CDAEHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)CC2CCC2)c1 ZINC000271299160 191058266 /nfs/dbraw/zinc/05/82/66/191058266.db2.gz HRMRQZDCJACYEJ-UHFFFAOYSA-N -2 3 299.348 1.935 10 0 CDAEHL CC(=O)c1[n-]c(=NC[C@@]2(C(=O)[O-])CCCOC2)sc1C ZINC000630463061 369004818 /nfs/dbraw/zinc/00/48/18/369004818.db2.gz ILKJGHXEKGLFOA-ZDUSSCGKSA-N -2 3 298.364 1.369 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])o1 ZINC000565058077 370341128 /nfs/dbraw/zinc/34/11/28/370341128.db2.gz RRWKJFRAPPIPSY-QMMMGPOBSA-N -2 3 275.326 1.367 10 0 CDAEHL CSCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000519829641 391712354 /nfs/dbraw/zinc/71/23/54/391712354.db2.gz VYJSHFAELCPGFA-UHFFFAOYSA-N -2 3 293.366 1.399 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000036884137 172779385 /nfs/dbraw/zinc/77/93/85/172779385.db2.gz AFYRXOFPAWFPIF-UHFFFAOYSA-N -2 3 263.293 1.637 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)oc1C(=O)[O-] ZINC000663425886 414247350 /nfs/dbraw/zinc/24/73/50/414247350.db2.gz VBBUMOFNZGHXBS-AYMMMOKOSA-N -2 3 285.321 1.363 10 0 CDAEHL Cc1cnc(SCC(=O)c2ccc([O-])cc2O)[n-]c1=O ZINC000380734771 1160677145 /nfs/dbraw/zinc/67/71/45/1160677145.db2.gz SLRCRDIIUAUSKO-UHFFFAOYSA-N -2 3 292.316 1.877 10 0 CDAEHL CCN(C(=O)c1cc(OC)ccc1[O-])C(C)(C)C(=O)[O-] ZINC000061149456 520070608 /nfs/dbraw/zinc/07/06/08/520070608.db2.gz MENZKMVISPPRLE-UHFFFAOYSA-N -2 3 281.308 1.726 10 0 CDAEHL C[C@@H](Cc1ccco1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591965 524930792 /nfs/dbraw/zinc/93/07/92/524930792.db2.gz XMPKBAULQJQGGS-ZETCQYMHSA-N -2 3 283.309 1.145 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Cc1cccc(Br)c1 ZINC000068892916 527614888 /nfs/dbraw/zinc/61/48/88/527614888.db2.gz DCIIERSNWHDMEQ-UHFFFAOYSA-N -2 3 288.097 1.124 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)CC2(F)CC2)c1C(=O)[O-] ZINC000905992206 627085278 /nfs/dbraw/zinc/08/52/78/627085278.db2.gz WYGDMZMAIBIBOV-UHFFFAOYSA-N -2 3 287.312 1.937 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085328001 179018489 /nfs/dbraw/zinc/01/84/89/179018489.db2.gz RWMRWXHWXNKTCZ-DTWKUNHWSA-N -2 3 289.378 1.670 10 0 CDAEHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCC2 ZINC000634587388 356468111 /nfs/dbraw/zinc/46/81/11/356468111.db2.gz MXICANGDIRZAHV-RXMQYKEDSA-N -2 3 252.661 1.338 10 0 CDAEHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC(C)C ZINC000080188751 360015578 /nfs/dbraw/zinc/01/55/78/360015578.db2.gz ISMIFDQWXXOTLI-UHFFFAOYSA-N -2 3 287.337 1.791 10 0 CDAEHL COc1ccc([O-])c([N-]S(=O)(=O)CC(C)(C)OC)c1 ZINC000414374942 241175475 /nfs/dbraw/zinc/17/54/75/241175475.db2.gz QAIDPAAXWUYXRA-UHFFFAOYSA-N -2 3 289.353 1.568 10 0 CDAEHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC2CC2)s1 ZINC000021502066 171305835 /nfs/dbraw/zinc/30/58/35/171305835.db2.gz ZIJYGWNXVLGXHA-UHFFFAOYSA-N -2 3 275.351 1.064 10 0 CDAEHL O=C([O-])CSc1n[n-]c([C@H]2Cc3ccccc3O2)n1 ZINC000037404964 173180804 /nfs/dbraw/zinc/18/08/04/173180804.db2.gz BFJYPKOJHKMSNF-SECBINFHSA-N -2 3 277.305 1.658 10 0 CDAEHL COc1ccc([O-])c(S(=O)(=O)[N-]c2nn(C)cc2C)c1 ZINC000663263583 414095961 /nfs/dbraw/zinc/09/59/61/414095961.db2.gz CHIMEXCMYPBUCC-UHFFFAOYSA-N -2 3 297.336 1.244 10 0 CDAEHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000663448382 414259778 /nfs/dbraw/zinc/25/97/78/414259778.db2.gz RGFKJOQGIODLPM-LLVKDONJSA-N -2 3 287.337 1.691 10 0 CDAEHL Cc1nc(C2CCC(C)CC2)[n-]c(=O)c1CC(=O)[O-] ZINC000044983937 175284060 /nfs/dbraw/zinc/28/40/60/175284060.db2.gz PRLONXIQOXLUDW-UHFFFAOYSA-N -2 3 264.325 1.999 10 0 CDAEHL COc1cccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000234973301 280125873 /nfs/dbraw/zinc/12/58/73/280125873.db2.gz DUBVYWOMSFZWEX-SKDRFNHKSA-N -2 3 293.319 1.726 10 0 CDAEHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000570790141 294307868 /nfs/dbraw/zinc/30/78/68/294307868.db2.gz AACSRWMJNMFYAE-LDYMZIIASA-N -2 3 285.321 1.304 10 0 CDAEHL CC(C)CN(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000062742020 519711544 /nfs/dbraw/zinc/71/15/44/519711544.db2.gz HGHKTTRLTXBMCP-UHFFFAOYSA-N -2 3 267.281 1.281 10 0 CDAEHL Cc1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000061681754 524694159 /nfs/dbraw/zinc/69/41/59/524694159.db2.gz RXLVPHCJIKTAMW-UHFFFAOYSA-N -2 3 286.331 1.913 10 0 CDAEHL O=C([O-])CO[N-]C(=O)/C=C/c1c(F)cccc1Cl ZINC000069073091 527615041 /nfs/dbraw/zinc/61/50/41/527615041.db2.gz YRDJGXYRHWPQJD-SNAWJCMRSA-N -2 3 273.647 1.625 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000069055145 527615320 /nfs/dbraw/zinc/61/53/20/527615320.db2.gz NDQQVWTZCUXGAA-UHFFFAOYSA-N -2 3 267.325 1.725 10 0 CDAEHL O=C([O-])[C@@H](CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000061608449 527645927 /nfs/dbraw/zinc/64/59/27/527645927.db2.gz FFUHJQDXYYCKBS-AWEZNQCLSA-N -2 3 285.299 1.990 10 0 CDAEHL CCC[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087501913 538176529 /nfs/dbraw/zinc/17/65/29/538176529.db2.gz NNRZILVOFYMVQK-VIFPVBQESA-N -2 3 289.328 1.605 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000871995405 685676213 /nfs/dbraw/zinc/67/62/13/685676213.db2.gz WSAHMZVOJHYFMT-ATZCPNFKSA-N -2 3 299.348 1.692 10 0 CDAEHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(N)cc1[O-] ZINC000849366442 687321958 /nfs/dbraw/zinc/32/19/58/687321958.db2.gz ZHSXDKMIHZROBE-GMSGAONNSA-N -2 3 264.281 1.052 10 0 CDAEHL Cc1cnc(Cl)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001647868248 1169068973 /nfs/dbraw/zinc/06/89/73/1169068973.db2.gz MRHHIJSQTUBTGP-UHFFFAOYSA-N -2 3 294.698 1.175 10 0 CDAEHL O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc(Cl)c([O-])c1 ZINC001141691030 936925304 /nfs/dbraw/zinc/92/53/04/936925304.db2.gz DBXRBLMLIRFDFP-UHFFFAOYSA-N -2 3 295.726 1.432 10 0 CDAEHL O=C(COc1cccc(C(F)(F)F)c1)CP(=O)([O-])[O-] ZINC000090413019 358474504 /nfs/dbraw/zinc/47/45/04/358474504.db2.gz NSYLFUMYFVIGII-UHFFFAOYSA-N -2 3 298.153 1.831 10 0 CDAEHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000070311991 357719635 /nfs/dbraw/zinc/71/96/35/357719635.db2.gz FCQPXHQPASVFOL-ZCFIWIBFSA-N -2 3 297.785 1.933 10 0 CDAEHL O=C(Cc1ccc(Cl)c(F)c1)N=c1ccc([O-])n[n-]1 ZINC000448395676 363925461 /nfs/dbraw/zinc/92/54/61/363925461.db2.gz NUGYTPHUHWBJJE-UHFFFAOYSA-N -2 3 281.674 1.578 10 0 CDAEHL CO[C@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@](C)(C(=O)[O-])C1 ZINC000630308938 368690742 /nfs/dbraw/zinc/69/07/42/368690742.db2.gz GBPWKFKLNYJCKA-BMIGLBTASA-N -2 3 293.319 1.405 10 0 CDAEHL C[C@@H](Cn1ncc2ccccc21)C(=O)N=c1ccc([O-])n[n-]1 ZINC000341680850 373865266 /nfs/dbraw/zinc/86/52/66/373865266.db2.gz GDRHFMVHZHLRHS-JTQLQIEISA-N -2 3 297.318 1.229 10 0 CDAEHL O=C([O-])[C@H]1CCCN(c2nc(=O)c3sccc3[n-]2)C1 ZINC000057346534 304184390 /nfs/dbraw/zinc/18/43/90/304184390.db2.gz WNSVZVIGBLASKC-ZETCQYMHSA-N -2 3 279.321 1.286 10 0 CDAEHL Cc1cnc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c([O-])c1 ZINC000427101476 247094523 /nfs/dbraw/zinc/09/45/23/247094523.db2.gz QTNZOFXEYLIMPR-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL Cc1cnc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c([O-])c1 ZINC000427101476 247094527 /nfs/dbraw/zinc/09/45/27/247094527.db2.gz QTNZOFXEYLIMPR-UHFFFAOYSA-N -2 3 296.290 1.528 10 0 CDAEHL COC(=O)c1ccc(C(=O)Nc2n[n-]c(C3CCC3)n2)[n-]1 ZINC000346661289 153261656 /nfs/dbraw/zinc/26/16/56/153261656.db2.gz OYGULFIWZGKFIJ-UHFFFAOYSA-N -2 3 289.295 1.439 10 0 CDAEHL CCOc1ccc(-c2nc(C)c(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000019476391 170807740 /nfs/dbraw/zinc/80/77/40/170807740.db2.gz ZVMHXYYXZMQNLY-UHFFFAOYSA-N -2 3 274.276 1.842 10 0 CDAEHL CN(C)S(=O)(=O)[N-]c1sc2c(c1C(=O)[O-])CCC2 ZINC000037326515 173127205 /nfs/dbraw/zinc/12/72/05/173127205.db2.gz KSXAKTUOYPAPFL-UHFFFAOYSA-N -2 3 290.366 1.153 10 0 CDAEHL Cc1nsc([N-]C(=O)c2cnns2)c1C(=O)[O-] ZINC000037675751 173614381 /nfs/dbraw/zinc/61/43/81/173614381.db2.gz NOGZHPIJPXPZCK-UHFFFAOYSA-N -2 3 270.295 1.254 10 0 CDAEHL O=C([O-])[C@@]1(NC(=O)c2ccc([O-])cc2)CCSC1 ZINC000043503545 175059317 /nfs/dbraw/zinc/05/93/17/175059317.db2.gz PCZQVKOTJXHNPX-GFCCVEGCSA-N -2 3 267.306 1.082 10 0 CDAEHL Cc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])n[nH]1 ZINC000070378674 175900443 /nfs/dbraw/zinc/90/04/43/175900443.db2.gz HCIHCOMCAHIXCM-UHFFFAOYSA-N -2 3 261.237 1.374 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3ccco3)on2)n[n-]1 ZINC000158930458 278085781 /nfs/dbraw/zinc/08/57/81/278085781.db2.gz QLSVROJBYNOEJG-UHFFFAOYSA-N -2 3 275.224 1.314 10 0 CDAEHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000570790140 294307847 /nfs/dbraw/zinc/30/78/47/294307847.db2.gz AACSRWMJNMFYAE-KWQFWETISA-N -2 3 285.321 1.304 10 0 CDAEHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000569367797 316773780 /nfs/dbraw/zinc/77/37/80/316773780.db2.gz ONEPQYAUZGACGM-JOYOIKCWSA-N -2 3 299.348 1.233 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])o1 ZINC000583029086 325093000 /nfs/dbraw/zinc/09/30/00/325093000.db2.gz ZTEGFYZCFWROHC-MRVPVSSYSA-N -2 3 275.326 1.367 10 0 CDAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccco1)CC1CC1 ZINC000650431185 482453960 /nfs/dbraw/zinc/45/39/60/482453960.db2.gz KILNTDKHBOQHPO-VIFPVBQESA-N -2 3 273.310 1.059 10 0 CDAEHL COc1nc([N-]C(=O)c2ncoc2-c2ccccc2)n[n-]1 ZINC000679319742 483337194 /nfs/dbraw/zinc/33/71/94/483337194.db2.gz CPNQJOPAIOCULU-UHFFFAOYSA-N -2 3 285.263 1.721 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1cc(C(=O)[O-])ccn1 ZINC000061593844 521615878 /nfs/dbraw/zinc/61/58/78/521615878.db2.gz KTNMITZHLOVMQN-UHFFFAOYSA-N -2 3 280.309 1.226 10 0 CDAEHL C[C@@H]1CCC[C@@H](n2c(=O)[n-]nc2SCC(=O)[O-])[C@@H]1C ZINC000061591858 524319836 /nfs/dbraw/zinc/31/98/36/524319836.db2.gz RTMFDQBHYNHVEA-IWSPIJDZSA-N -2 3 285.369 1.745 10 0 CDAEHL CSC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000910878139 618564787 /nfs/dbraw/zinc/56/47/87/618564787.db2.gz OFORBUURGUNQJN-VIFPVBQESA-N -2 3 289.740 1.592 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000903007549 625770963 /nfs/dbraw/zinc/77/09/63/625770963.db2.gz BWYYHYVLLWLKKP-ATZCPNFKSA-N -2 3 299.348 1.835 10 0 CDAEHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993710 694166993 /nfs/dbraw/zinc/16/69/93/694166993.db2.gz OHYVTBVWVIKEPH-SSDOTTSWSA-N -2 3 273.310 1.302 10 0 CDAEHL CCCc1nc(-c2nc[n-]n2)[n-]c(=O)c1Br ZINC000085448444 179063742 /nfs/dbraw/zinc/06/37/42/179063742.db2.gz PKYNYQPTVZCXNV-UHFFFAOYSA-N -2 3 284.117 1.682 10 0 CDAEHL Cc1sc2[n-]c(COCC(=O)[O-])nc(=O)c2c1C1CC1 ZINC000086116614 179234956 /nfs/dbraw/zinc/23/49/56/179234956.db2.gz ZTFOOKWIINTVQJ-UHFFFAOYSA-N -2 3 294.332 1.772 10 0 CDAEHL O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000070555811 358970335 /nfs/dbraw/zinc/97/03/35/358970335.db2.gz NFKFFZBOVPJTLM-DTWKUNHWSA-N -2 3 289.378 1.670 10 0 CDAEHL CCCC[C@@H](C)C(=O)NCCc1nc([O-])c(C)c(=O)[n-]1 ZINC000225744318 359614194 /nfs/dbraw/zinc/61/41/94/359614194.db2.gz INCRIMOHQGGKFR-SECBINFHSA-N -2 3 281.356 1.010 10 0 CDAEHL CCc1cccc(C(=O)NCc2ncccc2[O-])c1[O-] ZINC000526941328 391230362 /nfs/dbraw/zinc/23/03/62/391230362.db2.gz BLABGSDYHHTTOW-UHFFFAOYSA-N -2 3 272.304 1.985 10 0 CDAEHL CC(C)c1cccc(CC(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000410720627 391331502 /nfs/dbraw/zinc/33/15/02/391331502.db2.gz STLJPJIAWMNNGI-UHFFFAOYSA-N -2 3 271.320 1.909 10 0 CDAEHL COc1cccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000647748202 391896754 /nfs/dbraw/zinc/89/67/54/391896754.db2.gz SVVFYJHADUMSAB-MWLCHTKSSA-N -2 3 293.319 1.584 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])sc1C ZINC000646046067 391938827 /nfs/dbraw/zinc/93/88/27/391938827.db2.gz FYJHNWGLHJWXBT-SSDOTTSWSA-N -2 3 281.330 1.066 10 0 CDAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000656722685 413608666 /nfs/dbraw/zinc/60/86/66/413608666.db2.gz AMMWWHJKWOTJSE-VIFPVBQESA-N -2 3 289.378 1.527 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)Nc2cn[nH]c2)c([O-])c1 ZINC000040577554 174342460 /nfs/dbraw/zinc/34/24/60/174342460.db2.gz POBMVGFVCXFEMG-UHFFFAOYSA-N -2 3 262.225 1.458 10 0 CDAEHL CCSC(=S)[N-]CC[N-]C(=S)SC ZINC000077311397 177251404 /nfs/dbraw/zinc/25/14/04/177251404.db2.gz HXDASUGXBAKINW-UHFFFAOYSA-N -2 3 254.471 1.852 10 0 in-vitro CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000574734291 295044930 /nfs/dbraw/zinc/04/49/30/295044930.db2.gz RQZLVMJDIOPDMC-PSASIEDQSA-N -2 3 291.394 1.834 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)o1 ZINC000578241180 317500679 /nfs/dbraw/zinc/50/06/79/317500679.db2.gz WOTKLUPJBDNLGU-GXSJLCMTSA-N -2 3 289.353 1.612 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c(F)c1 ZINC000404998966 482853655 /nfs/dbraw/zinc/85/36/55/482853655.db2.gz ISFFWTLWYIVOGL-IUCAKERBSA-N -2 3 289.328 1.522 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000062767144 521615788 /nfs/dbraw/zinc/61/57/88/521615788.db2.gz LMWRMSFHMYXRRH-HTQZYQBOSA-N -2 3 271.342 1.327 10 0 CDAEHL O=C([N-]Cc1n[nH]c(=O)[n-]1)C(F)(F)c1ccccc1F ZINC000765842765 576060594 /nfs/dbraw/zinc/06/05/94/576060594.db2.gz AQZBPCQYSKQUOV-UHFFFAOYSA-N -2 3 286.213 1.058 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCCC1 ZINC000871994236 724117977 /nfs/dbraw/zinc/11/79/77/724117977.db2.gz XPWGSTWWGMDNHR-UHFFFAOYSA-N -2 3 259.283 1.199 10 0 CDAEHL O=C([N-]Cc1cc(=O)[n-]c(C2CCC2)n1)C(F)(F)F ZINC000825298312 724143348 /nfs/dbraw/zinc/14/33/48/724143348.db2.gz NVHPMBZWVFWYSL-UHFFFAOYSA-N -2 3 275.230 1.628 10 0 CDAEHL Cn1c([N-]C(=O)C(=O)c2ccc([O-])cc2)nnc1C1CC1 ZINC000617283655 345123897 /nfs/dbraw/zinc/12/38/97/345123897.db2.gz AXYGJPMPVACVEZ-UHFFFAOYSA-N -2 3 286.291 1.220 10 0 CDAEHL O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085327021 179018202 /nfs/dbraw/zinc/01/82/02/179018202.db2.gz MKECURYCIUODFI-JGVFFNPUSA-N -2 3 275.351 1.280 10 0 CDAEHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1C ZINC000086072699 179225356 /nfs/dbraw/zinc/22/53/56/179225356.db2.gz WIWVRQNHALXDRS-HLTSFMKQSA-N -2 3 287.337 1.691 10 0 CDAEHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccco1 ZINC000297012951 200061186 /nfs/dbraw/zinc/06/11/86/200061186.db2.gz RTRWIYQVEMCHGQ-RKDXNWHRSA-N -2 3 273.310 1.059 10 0 CDAEHL Cc1cccc(C(=O)NCc2ncccc2[O-])c1[O-] ZINC000436997327 361635334 /nfs/dbraw/zinc/63/53/34/361635334.db2.gz FIYGRLLBCVLDOK-UHFFFAOYSA-N -2 3 258.277 1.731 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1F ZINC000180016288 365001813 /nfs/dbraw/zinc/00/18/13/365001813.db2.gz MGRZDPXIMKXRAS-UHFFFAOYSA-N -2 3 298.295 1.961 10 0 CDAEHL CN(C)c1nc(C(=O)Nc2cc(F)ccc2[O-])cc(=O)[n-]1 ZINC000361488997 368847630 /nfs/dbraw/zinc/84/76/30/368847630.db2.gz RUVBEKILOMHONQ-UHFFFAOYSA-N -2 3 292.270 1.345 10 0 CDAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cccs2)CC1 ZINC000630433335 368948123 /nfs/dbraw/zinc/94/81/23/368948123.db2.gz OJMAMONUQWPEKK-KYZUINATSA-N -2 3 289.378 1.670 10 0 CDAEHL CC(C)c1noc([N-][C@@H](Cc2ccncc2)C(=O)[O-])n1 ZINC000656093502 413017331 /nfs/dbraw/zinc/01/73/31/413017331.db2.gz VVKVFQAAQSUVFT-JTQLQIEISA-N -2 3 276.296 1.696 10 0 CDAEHL COc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1[O-] ZINC000663150998 414004074 /nfs/dbraw/zinc/00/40/74/414004074.db2.gz BBXHYEQUZQSZHF-NSHDSACASA-N -2 3 293.319 1.632 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCCC2)c([O-])c1 ZINC000040523717 174311878 /nfs/dbraw/zinc/31/18/78/174311878.db2.gz PIMFCAVLJJLMDS-UHFFFAOYSA-N -2 3 250.254 1.718 10 0 CDAEHL O=C([O-])c1ccc(Cl)cc1NC(=O)c1cnn[n-]1 ZINC000071215035 176086141 /nfs/dbraw/zinc/08/61/41/176086141.db2.gz IAMQDZBBNPIRSW-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(Cl)cc1NC(=O)c1c[n-]nn1 ZINC000071215035 176086143 /nfs/dbraw/zinc/08/61/43/176086143.db2.gz IAMQDZBBNPIRSW-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(Cl)cc1NC(=O)c1cn[n-]n1 ZINC000071215035 176086145 /nfs/dbraw/zinc/08/61/45/176086145.db2.gz IAMQDZBBNPIRSW-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL C[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000235634062 280127514 /nfs/dbraw/zinc/12/75/14/280127514.db2.gz PMULNVKHYUZPAQ-CABZTGNLSA-N -2 3 263.293 1.718 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])o1 ZINC000570285011 294209621 /nfs/dbraw/zinc/20/96/21/294209621.db2.gz QFQFOHUNEHUIDW-QMMMGPOBSA-N -2 3 289.353 1.756 10 0 CDAEHL CCC[C@@H](CC)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591892 520693879 /nfs/dbraw/zinc/69/38/79/520693879.db2.gz XJVBSTXSBURVFU-SSDOTTSWSA-N -2 3 259.331 1.499 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767157 521615805 /nfs/dbraw/zinc/61/58/05/521615805.db2.gz MQJNHFNDXHWKJK-GUBZILKMSA-N -2 3 299.396 1.963 10 0 CDAEHL C[C@@H](C1CCCCC1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592122 524336031 /nfs/dbraw/zinc/33/60/31/524336031.db2.gz OVUUEMZZAZKUCE-QMMMGPOBSA-N -2 3 285.369 1.889 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCOC2)c([O-])c1 ZINC000061147953 526376529 /nfs/dbraw/zinc/37/65/29/526376529.db2.gz IGZGFPUAAUPERM-QMMMGPOBSA-N -2 3 280.280 1.248 10 0 CDAEHL O=C([O-])C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909965315 628781271 /nfs/dbraw/zinc/78/12/71/628781271.db2.gz GBUHVTQBMPHPPA-LLVKDONJSA-N -2 3 295.310 1.691 10 0 CDAEHL COc1nc([N-]C(=O)c2nc(Cl)sc2Cl)n[n-]1 ZINC001631844909 1166306207 /nfs/dbraw/zinc/30/62/07/1166306207.db2.gz WKEVJWAYWPLFLH-UHFFFAOYSA-N -2 3 294.123 1.829 10 0 CDAEHL CC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCC1 ZINC000871994262 727415306 /nfs/dbraw/zinc/41/53/06/727415306.db2.gz SRIPKZHJPSZNNM-UHFFFAOYSA-N -2 3 273.310 1.446 10 0 CDAEHL Cn1[n-]c(C(=O)Nc2ccc(Cl)cc2[O-])cc1=O ZINC001567235329 1168633442 /nfs/dbraw/zinc/63/34/42/1168633442.db2.gz WZUBEGWGOJHGNE-UHFFFAOYSA-N -2 3 267.672 1.737 10 0 CDAEHL C[C@H](CN(C)C(=O)c1ccc(Cl)c([O-])c1)c1nn[n-]n1 ZINC001362303651 971135538 /nfs/dbraw/zinc/13/55/38/971135538.db2.gz WLWVVSTZNXQNGD-SSDOTTSWSA-N -2 3 295.730 1.434 10 0 CDAEHL CCc1ccc(C(=O)N[C@@H](C)c2nn(C)cc2[O-])c([O-])c1 ZINC001363663867 953622021 /nfs/dbraw/zinc/62/20/21/953622021.db2.gz JBVDRICNWXLVTK-VIFPVBQESA-N -2 3 289.335 1.885 10 0 CDAEHL CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000096697650 185109687 /nfs/dbraw/zinc/10/96/87/185109687.db2.gz RCJGUZFDBXRXQE-UHFFFAOYSA-N -2 3 273.310 1.545 10 0 CDAEHL CC(C)(C)OC(=O)CCCCC(=O)N=c1ccc([O-])n[n-]1 ZINC000594007474 342862640 /nfs/dbraw/zinc/86/26/40/342862640.db2.gz RCEYAZGFECKGSN-UHFFFAOYSA-N -2 3 295.339 1.445 10 0 CDAEHL Nc1nc([O-])c(C23CC4CC(CC(C4)C2)C3)c(=O)[n-]1 ZINC000584634210 346510967 /nfs/dbraw/zinc/51/09/67/346510967.db2.gz CALHGMVSPFRPKK-UHFFFAOYSA-N -2 3 261.325 1.768 10 0 CDAEHL C[C@@H](C(=O)[O-])c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113519783 349249324 /nfs/dbraw/zinc/24/93/24/349249324.db2.gz FEPFCEMKMFONAR-ZCFIWIBFSA-N -2 3 261.274 1.385 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCC23CC3)c1 ZINC000634654031 356641813 /nfs/dbraw/zinc/64/18/13/356641813.db2.gz SUTSNTYCPRTJCV-VIFPVBQESA-N -2 3 285.321 1.589 10 0 CDAEHL O=C([O-])c1cc(=O)[n-]c([C@@H]2CSCCS2)n1 ZINC000309432063 538867472 /nfs/dbraw/zinc/86/74/72/538867472.db2.gz MBVNPAWQXGWTRU-LURJTMIESA-N -2 3 258.324 1.402 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000080188639 358091366 /nfs/dbraw/zinc/09/13/66/358091366.db2.gz GSEBSYIQNHABNF-UHFFFAOYSA-N -2 3 275.301 1.922 10 0 CDAEHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000569367795 358399045 /nfs/dbraw/zinc/39/90/45/358399045.db2.gz ONEPQYAUZGACGM-BXKDBHETSA-N -2 3 299.348 1.233 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000274986330 192867147 /nfs/dbraw/zinc/86/71/47/192867147.db2.gz YJSZDWKNOVPDTH-SSDOTTSWSA-N -2 3 291.300 1.301 10 0 CDAEHL Cc1ccn2c(c1)nnc2[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000436943367 361616127 /nfs/dbraw/zinc/61/61/27/361616127.db2.gz LXBLPEUVFQANMK-UHFFFAOYSA-N -2 3 296.286 1.565 10 0 CDAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000164886910 371337028 /nfs/dbraw/zinc/33/70/28/371337028.db2.gz YVIIGTRAGLIVTN-KWQFWETISA-N -2 3 289.378 1.670 10 0 CDAEHL COC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000081106615 373644730 /nfs/dbraw/zinc/64/47/30/373644730.db2.gz QABFIYHYTYGXDF-SECBINFHSA-N -2 3 294.307 1.591 10 0 CDAEHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(C)nc2)c1 ZINC000342778607 374472357 /nfs/dbraw/zinc/47/23/57/374472357.db2.gz MEGJYUMICINQCN-UHFFFAOYSA-N -2 3 295.320 1.300 10 0 CDAEHL O=C([O-])[C@@]1(CC(=O)Nc2cc(Cl)ccc2[O-])CCOC1 ZINC000656477418 413341107 /nfs/dbraw/zinc/34/11/07/413341107.db2.gz KIGNSHSBQPXOHB-CYBMUJFWSA-N -2 3 299.710 1.866 10 0 CDAEHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000022145008 171356417 /nfs/dbraw/zinc/35/64/17/171356417.db2.gz PRGOGPZRTNMQMC-LDYMZIIASA-N -2 3 289.328 1.603 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccco1 ZINC000035739279 172393479 /nfs/dbraw/zinc/39/34/79/172393479.db2.gz LDBJMQUAGFOVEV-ZETCQYMHSA-N -2 3 285.277 1.610 10 0 CDAEHL CC(C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483676 174287115 /nfs/dbraw/zinc/28/71/15/174287115.db2.gz GNSLZXWTXHLSJL-JTQLQIEISA-N -2 3 280.280 1.005 10 0 CDAEHL COCCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040560158 174334326 /nfs/dbraw/zinc/33/43/26/174334326.db2.gz LMRVBXREOCUURK-UHFFFAOYSA-N -2 3 268.269 1.248 10 0 CDAEHL Cc1nc(C(=O)[N-]c2ccc(C(=O)[O-])s2)no1 ZINC000071382354 176146240 /nfs/dbraw/zinc/14/62/40/176146240.db2.gz ZSUGUDHDNIAILB-UHFFFAOYSA-N -2 3 253.239 1.390 10 0 CDAEHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1(C)CC1 ZINC000582789232 325044459 /nfs/dbraw/zinc/04/44/59/325044459.db2.gz UQJADOOZGMKDSX-UHFFFAOYSA-N -2 3 285.321 1.688 10 0 CDAEHL Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000663153316 482465530 /nfs/dbraw/zinc/46/55/30/482465530.db2.gz NULQIJIICYOAMW-LBPRGKRZSA-N -2 3 277.320 1.931 10 0 CDAEHL Cc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000097059907 482957060 /nfs/dbraw/zinc/95/70/60/482957060.db2.gz IFPWMAYJNSYAGR-VHSXEESVSA-N -2 3 263.293 1.684 10 0 CDAEHL C[C@@H]1CCN(S(=O)(=O)[N-]c2c([O-])cccc2F)C1 ZINC000679184369 483295895 /nfs/dbraw/zinc/29/58/95/483295895.db2.gz LDWNQGRFDSAXAJ-MRVPVSSYSA-N -2 3 274.317 1.530 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767183 519919280 /nfs/dbraw/zinc/91/92/80/519919280.db2.gz NFIGROQTAOYLPI-RKDXNWHRSA-N -2 3 285.369 1.888 10 0 CDAEHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc([O-])ccc2Cl)[C@H]2C[C@H]21 ZINC000923194810 729877798 /nfs/dbraw/zinc/87/77/98/729877798.db2.gz SHARZGTUHIWJBR-SREGZZRCSA-N -2 3 295.722 1.885 10 0 CDAEHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000133197156 729977203 /nfs/dbraw/zinc/97/72/03/729977203.db2.gz VIMGFRRFQZHEIX-RQJHMYQMSA-N -2 3 292.744 1.123 10 0 CDAEHL O=C(c1cccc([O-])c1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362348767 971178680 /nfs/dbraw/zinc/17/86/80/971178680.db2.gz CKHMYNPVSPLNOC-MRVPVSSYSA-N -2 3 291.286 1.064 10 0 CDAEHL CC[C@@H](CNC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000087485639 345714235 /nfs/dbraw/zinc/71/42/35/345714235.db2.gz LZVKGLCQCRJHBE-QMMMGPOBSA-N -2 3 267.281 1.241 10 0 CDAEHL O=C([O-])c1cc2cc(S(=O)(=O)[O-])cc([O-])c2cc1O ZINC000140246818 348742012 /nfs/dbraw/zinc/74/20/12/348742012.db2.gz ARAKFKZHRGLHMX-UHFFFAOYSA-N -3 3 284.245 1.196 10 0 CDAEHL CCCc1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000360073218 368101879 /nfs/dbraw/zinc/10/18/79/368101879.db2.gz OJRDTJQRDYVFEB-UHFFFAOYSA-N -2 3 250.327 1.625 10 0 CDAEHL Cn1cc(Br)c(-c2n[n-]c(=S)[n-]2)n1 ZINC000575564359 369140724 /nfs/dbraw/zinc/14/07/24/369140724.db2.gz GZMHPIJAFYAKEW-UHFFFAOYSA-N -2 3 260.120 1.256 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])o1 ZINC000567740064 371129356 /nfs/dbraw/zinc/12/93/56/371129356.db2.gz KUYWKLLBJYNFOR-UHFFFAOYSA-N -2 3 289.353 1.757 10 0 CDAEHL CSc1nc(=NC(=O)NCc2ncccc2[O-])s[n-]1 ZINC000344041614 379074223 /nfs/dbraw/zinc/07/42/23/379074223.db2.gz GGZBKHGAGSJRGA-UHFFFAOYSA-N -2 3 297.365 1.104 10 0 CDAEHL CCc1nc(N2CCCC[C@H]2C(=O)[O-])[n-]c(=O)c1C ZINC000057329969 288624839 /nfs/dbraw/zinc/62/48/39/288624839.db2.gz IUSMQWOMTLBPTP-JTQLQIEISA-N -2 3 265.313 1.084 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)ccc1[O-] ZINC000525967529 392008214 /nfs/dbraw/zinc/00/82/14/392008214.db2.gz PHWYEQFQHIUPIU-GFCCVEGCSA-N -2 3 291.282 1.780 10 0 CDAEHL Cc1nc(-c2cc(F)cc(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000043388114 175032992 /nfs/dbraw/zinc/03/29/92/175032992.db2.gz GEMXCCJXDOYFHD-UHFFFAOYSA-N -2 3 280.230 1.651 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cnn[n-]2)c(Cl)c1 ZINC000071392574 176149214 /nfs/dbraw/zinc/14/92/14/176149214.db2.gz ULLPXGCMSHHHMS-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2c[n-]nn2)c(Cl)c1 ZINC000071392574 176149215 /nfs/dbraw/zinc/14/92/15/176149215.db2.gz ULLPXGCMSHHHMS-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cn[n-]n2)c(Cl)c1 ZINC000071392574 176149217 /nfs/dbraw/zinc/14/92/17/176149217.db2.gz ULLPXGCMSHHHMS-UHFFFAOYSA-N -2 3 266.644 1.409 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c1F ZINC000313222431 424374533 /nfs/dbraw/zinc/37/45/33/424374533.db2.gz WWWWYHZYFXRUFY-IUCAKERBSA-N -2 3 289.328 1.522 10 0 CDAEHL CCC(CC)(C(=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000653285663 424360851 /nfs/dbraw/zinc/36/08/51/424360851.db2.gz VGLAORYUEBLKBH-UHFFFAOYSA-N -2 3 266.297 1.294 10 0 CDAEHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000563076133 293265465 /nfs/dbraw/zinc/26/54/65/293265465.db2.gz JZBRYNAOAVNZGY-GXSJLCMTSA-N -2 3 299.348 1.612 10 0 CDAEHL C[C@@H]1CCCC[C@@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591697 524149618 /nfs/dbraw/zinc/14/96/18/524149618.db2.gz JBTYCPXFEZJOPV-SFYZADRCSA-N -2 3 271.342 1.499 10 0 CDAEHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(=O)[n-]cn1 ZINC001629905143 1166170599 /nfs/dbraw/zinc/17/05/99/1166170599.db2.gz BAGDJWRFKFTOML-UHFFFAOYSA-N -2 3 288.288 1.864 10 0 CDAEHL O=C([N-]Oc1ccccc1F)c1cc(=O)[n-]c(C2CC2)n1 ZINC001644131142 1167295585 /nfs/dbraw/zinc/29/55/85/1167295585.db2.gz DUJPPEZBSCAPAV-UHFFFAOYSA-N -2 3 289.266 1.923 10 0 CDAEHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994941 730467761 /nfs/dbraw/zinc/46/77/61/730467761.db2.gz BOUFWMYFCIUYOW-NSHDSACASA-N -2 3 273.310 1.445 10 0 CDAEHL CC(C)(C)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992712 730758435 /nfs/dbraw/zinc/75/84/35/730758435.db2.gz CEXVFOOECJLIHR-UHFFFAOYSA-N -2 3 275.326 1.692 10 0 CDAEHL CCc1ccc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])s1 ZINC000310841268 732732660 /nfs/dbraw/zinc/73/26/60/732732660.db2.gz NQQPMUJUZTXGFC-UHFFFAOYSA-N -2 3 299.320 1.309 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCSCC1 ZINC000871992822 732800629 /nfs/dbraw/zinc/80/06/29/732800629.db2.gz FDJCNIGDWJGTIG-UHFFFAOYSA-N -2 3 291.350 1.152 10 0 CDAEHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000817419634 732827098 /nfs/dbraw/zinc/82/70/98/732827098.db2.gz FPWNUTCOYJNDKI-LURJTMIESA-N -2 3 259.274 1.162 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1nc(Cl)ccc1F ZINC001454190448 968442365 /nfs/dbraw/zinc/44/23/65/968442365.db2.gz RZGMDOSEPQLANE-UHFFFAOYSA-N -2 3 298.661 1.005 10 0 CDAEHL Cc1nnc(-n2[n-]c3c(c2=O)CCc2ccccc2-3)[n-]c1=O ZINC000634586090 356465906 /nfs/dbraw/zinc/46/59/06/356465906.db2.gz BMHDOKUKSVBJNN-LLVKDONJSA-N -2 3 295.302 1.199 10 0 CDAEHL CCn1cnc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000348863763 360644852 /nfs/dbraw/zinc/64/48/52/360644852.db2.gz ACQKGVPMAPOMKH-UHFFFAOYSA-N -2 3 285.300 1.549 10 0 CDAEHL O=C([O-])C12CCC(CC1)N2C(=O)c1ccc2n[n-]nc2c1 ZINC000630324915 368725754 /nfs/dbraw/zinc/72/57/54/368725754.db2.gz KEJQYHKYYIZQGR-UHFFFAOYSA-N -2 3 286.291 1.180 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)c2cnccn2)c([O-])c1 ZINC000037587673 173534311 /nfs/dbraw/zinc/53/43/11/173534311.db2.gz IMKZNZPVVYJOJR-UHFFFAOYSA-N -2 3 259.221 1.133 10 0 CDAEHL C[C@@](N)(C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1)C1CC1 ZINC000040483701 174287100 /nfs/dbraw/zinc/28/71/00/174287100.db2.gz CBRYGPUZZCZUJY-AWEZNQCLSA-N -2 3 292.291 1.149 10 0 CDAEHL CC1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000045134968 175312327 /nfs/dbraw/zinc/31/23/27/175312327.db2.gz VRDOWKCLLCIEGK-QMMMGPOBSA-N -2 3 289.378 1.452 10 0 CDAEHL Cc1cc([N-]S(=O)(=O)C2CC2)sc1C(=O)[O-] ZINC000070907651 176011046 /nfs/dbraw/zinc/01/10/46/176011046.db2.gz QTJFWWDEMXIRDM-UHFFFAOYSA-N -2 3 261.324 1.659 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C1CC1 ZINC000575922776 317039816 /nfs/dbraw/zinc/03/98/16/317039816.db2.gz IFDZXAUOVRJONP-GFCCVEGCSA-N -2 3 289.328 1.698 10 0 CDAEHL CCc1[n-][nH]c(=NC(=O)c2ncc(C)cc2[O-])c1C ZINC000583331539 325155427 /nfs/dbraw/zinc/15/54/27/325155427.db2.gz HDIJUCBMSNUOFG-UHFFFAOYSA-N -2 3 260.297 1.364 10 0 CDAEHL CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)CC(=O)[O-] ZINC000061179778 520070206 /nfs/dbraw/zinc/07/02/06/520070206.db2.gz CHJIZAFHLYHOHT-VIFPVBQESA-N -2 3 281.308 1.726 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1nc(C)cc(C)c1C(=O)[O-] ZINC000061593824 523096956 /nfs/dbraw/zinc/09/69/56/523096956.db2.gz HWDCRXVPPNEBNN-UHFFFAOYSA-N -2 3 294.336 1.453 10 0 CDAEHL C[C@H]1CCCC[C@@H]1Cn1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591922 526254704 /nfs/dbraw/zinc/25/47/04/526254704.db2.gz WLBZKVROMCSNJG-DTWKUNHWSA-N -2 3 285.369 1.574 10 0 CDAEHL C[C@H]1CCCC[C@H]1n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591700 526263258 /nfs/dbraw/zinc/26/32/58/526263258.db2.gz JBTYCPXFEZJOPV-JGVFFNPUSA-N -2 3 271.342 1.499 10 0 CDAEHL CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000737878002 576020092 /nfs/dbraw/zinc/02/00/92/576020092.db2.gz OMJGYPAMNJGJLE-LDYMZIIASA-N -2 3 265.265 1.454 10 0 CDAEHL C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909131412 628526967 /nfs/dbraw/zinc/52/69/67/628526967.db2.gz ZJTWEQAYNCNAPD-RXMQYKEDSA-N -2 3 277.198 1.614 10 0 CDAEHL COc1ccc(C(=O)NCC(C)(C)CC(=O)[O-])c([O-])c1 ZINC000720925389 733920240 /nfs/dbraw/zinc/92/02/40/733920240.db2.gz DQWQYPFSASMJAI-UHFFFAOYSA-N -2 3 281.308 1.632 10 0 CDAEHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000087672933 734341803 /nfs/dbraw/zinc/34/18/03/734341803.db2.gz RPEJSRWHGFVJHL-BQBZGAKWSA-N -2 3 273.301 1.408 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])s1 ZINC000310136984 900934210 /nfs/dbraw/zinc/93/42/10/900934210.db2.gz MGGGUEJNZRLDSJ-UHFFFAOYSA-N -2 3 285.293 1.055 10 0 CDAEHL Cc1n[n-]cc1C(=O)N=c1nc(-c2ccsc2)[n-]s1 ZINC000369263206 369724500 /nfs/dbraw/zinc/72/45/00/369724500.db2.gz SAHYHSGUPPLJRV-UHFFFAOYSA-N -2 3 291.361 1.972 10 0 CDAEHL CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000290670904 369998821 /nfs/dbraw/zinc/99/88/21/369998821.db2.gz OYPAWHZSIFEQBO-RQJHMYQMSA-N -2 3 293.366 1.148 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1ccccc1[O-] ZINC000331270981 376759777 /nfs/dbraw/zinc/75/97/77/376759777.db2.gz URPWBTZBTGBVCK-UHFFFAOYSA-N -2 3 259.327 1.559 10 0 CDAEHL Cc1cc(C(=O)N=c2ncn(C(C)C)[n-]2)ccc1[O-] ZINC000652726872 413035324 /nfs/dbraw/zinc/03/53/24/413035324.db2.gz SDORBVLFXMOIOV-UHFFFAOYSA-N -2 3 260.297 1.547 10 0 CDAEHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000656162362 413064553 /nfs/dbraw/zinc/06/45/53/413064553.db2.gz CUJDZTNOFGTNQJ-VIFPVBQESA-N -2 3 297.254 1.056 10 0 CDAEHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000656162361 413065226 /nfs/dbraw/zinc/06/52/26/413065226.db2.gz CUJDZTNOFGTNQJ-SECBINFHSA-N -2 3 297.254 1.056 10 0 CDAEHL Cc1cnc(C(=O)N=c2cc3ccccn3[n-]2)c([O-])c1 ZINC000557526933 290350347 /nfs/dbraw/zinc/35/03/47/290350347.db2.gz IAGWXVONRMTNHI-UHFFFAOYSA-N -2 3 268.276 1.418 10 0 CDAEHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000576282531 317110520 /nfs/dbraw/zinc/11/05/20/317110520.db2.gz IUBCBHKJHRDFJC-LDYMZIIASA-N -2 3 273.310 1.201 10 0 CDAEHL O=C([O-])c1cnc(C2(c3ccccc3)CCC2)[n-]c1=O ZINC000062782075 526402803 /nfs/dbraw/zinc/40/28/03/526402803.db2.gz IZQLUHCMWJYUSG-UHFFFAOYSA-N -2 3 270.288 1.938 10 0 CDAEHL CC(C)CCC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000903029869 625805661 /nfs/dbraw/zinc/80/56/61/625805661.db2.gz NQEDLRBFYSMFSK-JTQLQIEISA-N -2 3 289.353 1.837 10 0 CDAEHL O=C([O-])CCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000909923875 628758399 /nfs/dbraw/zinc/75/83/99/628758399.db2.gz UIFLCJXDCHCLSL-UHFFFAOYSA-N -2 3 269.272 1.793 10 0 CDAEHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871992830 738886946 /nfs/dbraw/zinc/88/69/46/738886946.db2.gz FGOCNKJXDUGZEN-IUCAKERBSA-N -2 3 287.337 1.835 10 0 CDAEHL Cc1cc(F)c(S(=O)(=O)[N-]C/C=C/C(=O)[O-])cc1F ZINC000788447245 929524056 /nfs/dbraw/zinc/52/40/56/929524056.db2.gz QZVRAJFTMRRIOM-NSCUHMNNSA-N -2 3 291.275 1.192 10 0 CDAEHL Cc1cc(C(=O)Nc2c(C)nc(=O)[n-]c2[O-])c2nccn2c1 ZINC001294369083 954497337 /nfs/dbraw/zinc/49/73/37/954497337.db2.gz ZLBKDTNDORDKTI-UHFFFAOYSA-N -2 3 299.290 1.405 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000343735771 539078084 /nfs/dbraw/zinc/07/80/84/539078084.db2.gz RANYWIAGWNYRAJ-RNFRBKRXSA-N -2 3 275.230 1.521 10 0 CDAEHL COCC1(C(=O)N=c2ccc([O-])n[n-]2)CCCCC1 ZINC000622846929 342261214 /nfs/dbraw/zinc/26/12/14/342261214.db2.gz AZVIZTFUBPKNKR-UHFFFAOYSA-N -2 3 265.313 1.140 10 0 CDAEHL O=C(NC1C(=O)[N-]C(=S)N=C1[O-])c1ccc(F)cc1 ZINC000114322024 342439950 /nfs/dbraw/zinc/43/99/50/342439950.db2.gz XOENXAVLBORGFQ-UHFFFAOYSA-N -2 3 281.268 1.568 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2CC2)c(O)c1 ZINC000086496834 179302402 /nfs/dbraw/zinc/30/24/02/179302402.db2.gz SBJBKFSZKVOQOO-UHFFFAOYSA-N -2 3 271.294 1.242 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)oc1C(=O)[O-] ZINC000634654275 356643565 /nfs/dbraw/zinc/64/35/65/356643565.db2.gz CUYVHNIBABAYJN-ZANVPECISA-N -2 3 299.348 1.897 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])c([O-])c1 ZINC000070309997 357718463 /nfs/dbraw/zinc/71/84/63/357718463.db2.gz YLWXENZNSUHPLW-VIFPVBQESA-N -2 3 251.282 1.684 10 0 CDAEHL O=C(c1cccc([O-])c1)N1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC000521441191 391345673 /nfs/dbraw/zinc/34/56/73/391345673.db2.gz FYNDYPMOQQOWEL-UHFFFAOYSA-N -2 3 288.307 1.236 10 0 CDAEHL CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C)ccc2[O-])C1 ZINC000019517676 170823379 /nfs/dbraw/zinc/82/33/79/170823379.db2.gz CYSPHEZRXUTVGF-ONGXEEELSA-N -2 3 279.292 1.015 10 0 CDAEHL O=C([O-])c1cc(NC(=O)CNCC2CC2)cc(C(=O)[O-])c1 ZINC000040483699 174286940 /nfs/dbraw/zinc/28/69/40/174286940.db2.gz HSSJERAQEZJONL-UHFFFAOYSA-N -2 3 292.291 1.021 10 0 CDAEHL O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000070555813 175984280 /nfs/dbraw/zinc/98/42/80/175984280.db2.gz NFKFFZBOVPJTLM-RKDXNWHRSA-N -2 3 289.378 1.670 10 0 CDAEHL C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000235408745 280127096 /nfs/dbraw/zinc/12/70/96/280127096.db2.gz PMULNVKHYUZPAQ-BXKDBHETSA-N -2 3 263.293 1.718 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000095321676 289062817 /nfs/dbraw/zinc/06/28/17/289062817.db2.gz SHGSBLRJOAFAQG-SNVBAGLBSA-N -2 3 287.323 1.234 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000095321676 289062819 /nfs/dbraw/zinc/06/28/19/289062819.db2.gz SHGSBLRJOAFAQG-SNVBAGLBSA-N -2 3 287.323 1.234 10 0 CDAEHL CCC[C@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000576940153 317234468 /nfs/dbraw/zinc/23/44/68/317234468.db2.gz ICSGXAGSFARPCP-SECBINFHSA-N -2 3 275.326 1.367 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062767178 519919085 /nfs/dbraw/zinc/91/90/85/519919085.db2.gz NZFTYKPSHZMVSW-YUMQZZPRSA-N -2 3 271.342 1.498 10 0 CDAEHL CCOC(=O)CN(C)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000049607977 520738535 /nfs/dbraw/zinc/73/85/35/520738535.db2.gz JBACLPMUAUAZGP-UHFFFAOYSA-N -2 3 296.279 1.117 10 0 CDAEHL Cc1ccc(CCC(=O)[N-]OCC(=O)[O-])cc1Cl ZINC000069054949 524299130 /nfs/dbraw/zinc/29/91/30/524299130.db2.gz KPCKVXXGAQFMBD-UHFFFAOYSA-N -2 3 271.700 1.713 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1cccc(C=CC(=O)[O-])c1 ZINC000061593255 527021074 /nfs/dbraw/zinc/02/10/74/527021074.db2.gz KNLUOGPQKSFXRZ-AATRIKPKSA-N -2 3 291.332 1.499 10 0 CDAEHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cncc([O-])c1 ZINC000339909737 527172224 /nfs/dbraw/zinc/17/22/24/527172224.db2.gz NQBVNLPBHMCOQW-UHFFFAOYSA-N -2 3 296.290 1.143 10 0 CDAEHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cncc([O-])c1 ZINC000339909737 527172226 /nfs/dbraw/zinc/17/22/26/527172226.db2.gz NQBVNLPBHMCOQW-UHFFFAOYSA-N -2 3 296.290 1.143 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCSc1ccc(F)c(F)c1 ZINC000069073066 527615522 /nfs/dbraw/zinc/61/55/22/527615522.db2.gz RDMTUUVRSCTICE-UHFFFAOYSA-N -2 3 291.275 1.579 10 0 CDAEHL CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000737877996 576019949 /nfs/dbraw/zinc/01/99/49/576019949.db2.gz OMJGYPAMNJGJLE-KWQFWETISA-N -2 3 265.265 1.454 10 0 CDAEHL Cc1nc(=O)[n-]c([O-])c1NC(=O)c1cccn2nccc12 ZINC001566210162 1168251381 /nfs/dbraw/zinc/25/13/81/1168251381.db2.gz YBBOYCPLPPIYTQ-UHFFFAOYSA-N -2 3 285.263 1.096 10 0 CDAEHL C[C@H]1CCCN(C(=O)c2ccc(N)cc2[O-])[C@H]1C(=O)[O-] ZINC000849365995 741658839 /nfs/dbraw/zinc/65/88/39/741658839.db2.gz JFZOWSYBPQWWPN-QPUJVOFHSA-N -2 3 278.308 1.300 10 0 CDAEHL Nc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000853060420 741320422 /nfs/dbraw/zinc/32/04/22/741320422.db2.gz XYWOENICGPMOCZ-NSHDSACASA-N -2 3 278.308 1.205 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc(F)s1 ZINC001149285157 937166622 /nfs/dbraw/zinc/16/66/22/937166622.db2.gz XQFPZYNLDRBOTB-UHFFFAOYSA-N -2 3 269.257 1.018 10 0 CDAEHL CC(C)(C)S(=O)(=O)[N-]c1ccccc1OCC(=O)[O-] ZINC000104317581 185967027 /nfs/dbraw/zinc/96/70/27/185967027.db2.gz PQIATRFWXBGRRZ-UHFFFAOYSA-N -2 3 287.337 1.690 10 0 CDAEHL Nc1cc(C(=O)c2ccccc2C(=O)[O-])ccc1[O-] ZINC000033506612 356804570 /nfs/dbraw/zinc/80/45/70/356804570.db2.gz WNAKJMCFTKLYCZ-UHFFFAOYSA-N -2 3 257.245 1.904 10 0 CDAEHL O=C([O-])[C@@H](O)c1cc(C(F)(F)F)c(F)cc1[O-] ZINC000575702299 373966748 /nfs/dbraw/zinc/96/67/48/373966748.db2.gz CMQUYLSDCRMUPD-ZETCQYMHSA-N -2 3 254.135 1.668 10 0 CDAEHL CCCc1nc(=NC(=O)c2c[n-]c(=NCC)s2)s[n-]1 ZINC000432941068 392301673 /nfs/dbraw/zinc/30/16/73/392301673.db2.gz ZFIXNZQRMSMJJX-UHFFFAOYSA-N -2 3 297.409 1.475 10 0 CDAEHL CCCS(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])s1 ZINC000022144750 171356357 /nfs/dbraw/zinc/35/63/57/171356357.db2.gz GXKXMQBCLVBAIG-UHFFFAOYSA-N -2 3 263.340 1.906 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C2CC2)o1 ZINC000656725537 413606415 /nfs/dbraw/zinc/60/64/15/413606415.db2.gz SEJXYABOCHMLNL-SNVBAGLBSA-N -2 3 287.337 1.367 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(OC)c1[O-] ZINC000044612353 175217460 /nfs/dbraw/zinc/21/74/60/175217460.db2.gz OQKDDOBCLSSFOC-SECBINFHSA-N -2 3 267.281 1.336 10 0 CDAEHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000576282528 317110714 /nfs/dbraw/zinc/11/07/14/317110714.db2.gz IUBCBHKJHRDFJC-GZMMTYOYSA-N -2 3 273.310 1.201 10 0 CDAEHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000576884034 317225369 /nfs/dbraw/zinc/22/53/69/317225369.db2.gz QVZCXRKVOJYJLW-SKDRFNHKSA-N -2 3 299.348 1.233 10 0 CDAEHL CC[C@@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000668158663 483094907 /nfs/dbraw/zinc/09/49/07/483094907.db2.gz ABUMRVLCOGMFIN-MRVPVSSYSA-N -2 3 255.274 1.239 10 0 CDAEHL CCS(=O)(=O)[N-]c1cc(/C=C/C(=O)[O-])ccc1OC ZINC000049593476 521684018 /nfs/dbraw/zinc/68/40/18/521684018.db2.gz LAMUWMPNJFHAOV-FNORWQNLSA-N -2 3 285.321 1.555 10 0 CDAEHL Cc1nc(CC(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000068848950 526793887 /nfs/dbraw/zinc/79/38/87/526793887.db2.gz NLRLZEJRNZVOEI-UHFFFAOYSA-N -2 3 252.314 1.684 10 0 CDAEHL CC(C)(C)c1nc(C(=O)NCc2nc([O-])cc(=O)[n-]2)co1 ZINC001418617652 960804630 /nfs/dbraw/zinc/80/46/30/960804630.db2.gz FPNFAOHWOHAZOU-UHFFFAOYSA-N -2 3 292.295 1.103 10 0 CDAEHL CCc1cc(=NC(=O)c2cccc(OC)c2[O-])[n-]o1 ZINC000606933691 345107916 /nfs/dbraw/zinc/10/79/16/345107916.db2.gz WPUXMIQEAYCOFE-UHFFFAOYSA-N -2 3 262.265 1.625 10 0 CDAEHL COc1ccc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000622000324 350925395 /nfs/dbraw/zinc/92/53/95/350925395.db2.gz GMWOAYNBVIYLKU-LBPRGKRZSA-N -2 3 295.335 1.972 10 0 CDAEHL Cc1ccc([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c(C(=O)[O-])c1 ZINC000514768424 360373560 /nfs/dbraw/zinc/37/35/60/360373560.db2.gz OMUHXZAFGJETIC-BXKDBHETSA-N -2 3 299.348 1.612 10 0 CDAEHL Cc1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c([O-])c1 ZINC000436475421 361518618 /nfs/dbraw/zinc/51/86/18/361518618.db2.gz BHFKXIXUODZCGT-UHFFFAOYSA-N -2 3 286.334 1.664 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C1CC1 ZINC000647127845 390487382 /nfs/dbraw/zinc/48/73/82/390487382.db2.gz DNJBWPNVNFNXEE-LBPRGKRZSA-N -2 3 285.365 1.867 10 0 CDAEHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccccc2F)c1 ZINC000525958779 391675646 /nfs/dbraw/zinc/67/56/46/391675646.db2.gz CCICSNYFTIGYQO-UHFFFAOYSA-N -2 3 299.279 1.595 10 0 CDAEHL CC[C@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)OC ZINC000421143861 391824291 /nfs/dbraw/zinc/82/42/91/391824291.db2.gz AVBUNUXSISHMRZ-LLVKDONJSA-N -2 3 277.317 1.698 10 0 CDAEHL COc1cccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000647748200 391896772 /nfs/dbraw/zinc/89/67/72/391896772.db2.gz SVVFYJHADUMSAB-GXSJLCMTSA-N -2 3 293.319 1.584 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)c1cccc2ccc(=O)[nH]c21 ZINC000343707302 152272617 /nfs/dbraw/zinc/27/26/17/152272617.db2.gz HMWANCBPZLPEIC-UHFFFAOYSA-N -2 3 282.259 1.110 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])s1 ZINC000656725465 413605713 /nfs/dbraw/zinc/60/57/13/413605713.db2.gz WUTBDXFUXBLPFM-SNVBAGLBSA-N -2 3 295.357 1.538 10 0 CDAEHL CC1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000045134908 175312358 /nfs/dbraw/zinc/31/23/58/175312358.db2.gz XLYFPAZATDDPMM-ZETCQYMHSA-N -2 3 259.283 1.055 10 0 CDAEHL Cc1nc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c[nH]1 ZINC000547938082 289820840 /nfs/dbraw/zinc/82/08/40/289820840.db2.gz UAEXUWZSIUWTKB-MRVPVSSYSA-N -2 3 289.357 1.030 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1ccoc1C(=O)[O-] ZINC000061593727 519917949 /nfs/dbraw/zinc/91/79/49/519917949.db2.gz JQHPGBXXZLDGAB-UHFFFAOYSA-N -2 3 283.309 1.736 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1ccnc(C(=O)[O-])c1 ZINC000068765259 519918443 /nfs/dbraw/zinc/91/84/43/519918443.db2.gz ZEMFUEDIZLEVDZ-UHFFFAOYSA-N -2 3 294.336 1.538 10 0 CDAEHL C[C@H]1CCC[C@H](n2c(=O)[n-]nc2SCC(=O)[O-])C1 ZINC000061591735 524211856 /nfs/dbraw/zinc/21/18/56/524211856.db2.gz PKBKIVZZEVGUTK-YUMQZZPRSA-N -2 3 271.342 1.499 10 0 CDAEHL C[C@H](CCc1ccco1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592063 524263171 /nfs/dbraw/zinc/26/31/71/524263171.db2.gz UBZCYFHSWKVKQV-MRVPVSSYSA-N -2 3 297.336 1.535 10 0 CDAEHL C[C@H]1C[C@@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000052297337 524850476 /nfs/dbraw/zinc/85/04/76/524850476.db2.gz MTIGFRNUMAJPEL-RCOVLWMOSA-N -2 3 250.254 1.620 10 0 CDAEHL O=C([O-])CON=C([O-])Nc1cccc(C(F)(F)F)c1 ZINC000069073359 527615181 /nfs/dbraw/zinc/61/51/81/527615181.db2.gz MQBCNCFOYYKZLE-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000069073359 527615183 /nfs/dbraw/zinc/61/51/83/527615183.db2.gz MQBCNCFOYYKZLE-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL O=C([O-])CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCCC1 ZINC000909706963 628634179 /nfs/dbraw/zinc/63/41/79/628634179.db2.gz XNLRQJIHQBNGJY-UHFFFAOYSA-N -2 3 295.310 1.978 10 0 CDAEHL O=C(CCCc1nnn[n-]1)Nc1c([O-])cccc1Cl ZINC001641531882 1167115877 /nfs/dbraw/zinc/11/58/77/1167115877.db2.gz KYWJKLRQTUNAMY-UHFFFAOYSA-N -2 3 281.703 1.520 10 0 CDAEHL C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(C#N)ccc1[O-] ZINC000185260439 750876217 /nfs/dbraw/zinc/87/62/17/750876217.db2.gz BLGQPSAIVXOBRO-VIFPVBQESA-N -2 3 281.337 1.405 10 0 CDAEHL COc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC000695040616 898870220 /nfs/dbraw/zinc/87/02/20/898870220.db2.gz VUWYBNLUGOHLND-VIFPVBQESA-N -2 3 277.276 1.304 10 0 CDAEHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCO[C@@H]2C)c1 ZINC000571658270 372788693 /nfs/dbraw/zinc/78/86/93/372788693.db2.gz WNNGDRMYADFDIB-BXKDBHETSA-N -2 3 299.348 1.612 10 0 CDAEHL COc1cccc2c1[C@H](C(=O)N=c1ccc([O-])n[n-]1)CC2 ZINC000410714803 391327701 /nfs/dbraw/zinc/32/77/01/391327701.db2.gz BVUPVVIGGWOYCD-SNVBAGLBSA-N -2 3 285.303 1.281 10 0 CDAEHL O=C([O-])CC1(NC(=O)N=c2cc3ccccn3[n-]2)CCC1 ZINC000649544041 397816172 /nfs/dbraw/zinc/81/61/72/397816172.db2.gz HXBYNMDELJINMA-UHFFFAOYSA-N -2 3 288.307 1.275 10 0 CDAEHL Cc1nc2cc([N-]S(=O)(=O)CCC(=O)[O-])ccc2o1 ZINC000037464147 173225478 /nfs/dbraw/zinc/22/54/78/173225478.db2.gz IXEZQBLPOVBKGV-UHFFFAOYSA-N -2 3 284.293 1.353 10 0 CDAEHL CC[C@@H]1COCCN1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040590130 174346372 /nfs/dbraw/zinc/34/63/72/174346372.db2.gz IYOOJKHDCKWTRB-SNVBAGLBSA-N -2 3 294.307 1.733 10 0 CDAEHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000133280273 279735859 /nfs/dbraw/zinc/73/58/59/279735859.db2.gz PDKOTSWPOVKIRG-RQJHMYQMSA-N -2 3 293.291 1.352 10 0 CDAEHL C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000052276379 524964182 /nfs/dbraw/zinc/96/41/82/524964182.db2.gz AMUKLRLMTGOAHE-CAHLUQPWSA-N -2 3 261.324 1.133 10 0 CDAEHL C[C@H](NCc1ccc([O-])c(Br)c1)c1nn[n-]n1 ZINC000062702800 525448745 /nfs/dbraw/zinc/44/87/45/525448745.db2.gz DOLUADOQDYYMFC-LURJTMIESA-N -2 3 298.144 1.519 10 0 CDAEHL C[C@H](NCc1ccc([O-])c(Br)c1)c1nnn[n-]1 ZINC000062702800 525448751 /nfs/dbraw/zinc/44/87/51/525448751.db2.gz DOLUADOQDYYMFC-LURJTMIESA-N -2 3 298.144 1.519 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1cccc(Cl)c1C(=O)[O-] ZINC000061593631 527022032 /nfs/dbraw/zinc/02/20/32/527022032.db2.gz IDAVSDLKXVBLMA-UHFFFAOYSA-N -2 3 285.712 1.611 10 0 CDAEHL O=C([O-])CC1(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000909897265 628749049 /nfs/dbraw/zinc/74/90/49/628749049.db2.gz FUQQGJZZWICXBO-UHFFFAOYSA-N -2 3 267.256 1.197 10 0 CDAEHL CO[C@@H](C(=O)N=c1ccc([O-])n[n-]1)C1CCCCC1 ZINC000622846185 342261315 /nfs/dbraw/zinc/26/13/15/342261315.db2.gz BIJKLLVJDYXLJY-GFCCVEGCSA-N -2 3 265.313 1.138 10 0 CDAEHL Cc1ccc(-c2noc([N-]Cc3n[nH]c(=O)[n-]3)n2)cc1 ZINC000302012402 201296913 /nfs/dbraw/zinc/29/69/13/201296913.db2.gz AYWYQGMSXXBQRD-UHFFFAOYSA-N -2 3 272.268 1.069 10 0 CDAEHL CCc1ccc(C(=O)N=c2cc(OC)n(C)[n-]2)c([O-])c1 ZINC000526055464 365277827 /nfs/dbraw/zinc/27/78/27/365277827.db2.gz HIXKSAQCOBFDDT-UHFFFAOYSA-N -2 3 275.308 1.371 10 0 CDAEHL O=C([O-])CCCCCNC(=O)NCc1ncccc1[O-] ZINC000414628329 241285794 /nfs/dbraw/zinc/28/57/94/241285794.db2.gz ORDYOGIRFWCRRS-UHFFFAOYSA-N -2 3 281.312 1.231 10 0 CDAEHL Cc1nn(C)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000340958340 373113236 /nfs/dbraw/zinc/11/32/36/373113236.db2.gz OIRPPZSMTXLDNY-UHFFFAOYSA-N -2 3 285.300 1.374 10 0 CDAEHL O=C1[N-]C(=O)c2cc(-c3ccc4c(c3)C(=O)[N-]C4=O)ccc21 ZINC000005770034 284865468 /nfs/dbraw/zinc/86/54/68/284865468.db2.gz GVPXAZQHUKFZPY-UHFFFAOYSA-N -2 3 292.250 1.121 10 0 CDAEHL CCc1ccc([O-])c(C(=O)N(C)[C@@H](CC)C(=O)[O-])c1 ZINC000653344353 423844623 /nfs/dbraw/zinc/84/46/23/423844623.db2.gz VLGCVKICWAKTTF-NSHDSACASA-N -2 3 265.309 1.890 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@@H](C)C(=O)[O-] ZINC000133279824 279735942 /nfs/dbraw/zinc/73/59/42/279735942.db2.gz PDKOTSWPOVKIRG-RNFRBKRXSA-N -2 3 293.291 1.352 10 0 CDAEHL O=C([N-]c1cnoc1)c1ccc(C(=O)[N-]c2cnoc2)o1 ZINC000675775138 483365194 /nfs/dbraw/zinc/36/51/94/483365194.db2.gz WTBSWVASPDSSGV-UHFFFAOYSA-N -2 3 288.219 1.760 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000061215157 521244064 /nfs/dbraw/zinc/24/40/64/521244064.db2.gz XAXHTNKXWVODOU-VIFPVBQESA-N -2 3 281.308 1.584 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767149 521615798 /nfs/dbraw/zinc/61/57/98/521615798.db2.gz HHRCYGPYBPLJJE-BDAKNGLRSA-N -2 3 285.369 1.717 10 0 CDAEHL CS(=O)(=O)[N-]c1ccc(/C=C/C(=O)[O-])cc1F ZINC000049593359 525216928 /nfs/dbraw/zinc/21/69/28/525216928.db2.gz XZHJFFGIKDZNEY-HWKANZROSA-N -2 3 259.258 1.295 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]C/C=C\C(=O)[O-])c(F)cc1F ZINC000788447089 768896176 /nfs/dbraw/zinc/89/61/76/768896176.db2.gz OWOPOURFGOSPGK-IHWYPQMZSA-N -2 3 291.275 1.192 10 0 CDAEHL COc1ccc(C(=O)N[C@@](C)(CC(=O)[O-])C2CC2)c([O-])c1 ZINC000864200991 768899158 /nfs/dbraw/zinc/89/91/58/768899158.db2.gz KJRPQSRRKHOCQF-HNNXBMFYSA-N -2 3 293.319 1.774 10 0 CDAEHL C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@H]1C(=O)[O-] ZINC000849366121 771120610 /nfs/dbraw/zinc/12/06/10/771120610.db2.gz LKUWQOLWAASUOZ-LDYMZIIASA-N -2 3 278.308 1.157 10 0 CDAEHL C[C@H](CCC1CC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993697 772316451 /nfs/dbraw/zinc/31/64/51/772316451.db2.gz NYKWDCNQAZGCCF-MRVPVSSYSA-N -2 3 287.337 1.835 10 0 CDAEHL O=C([O-])c1cccc([N-]S(=O)(=O)CC2CC2)c1O ZINC000124663147 187147506 /nfs/dbraw/zinc/14/75/06/187147506.db2.gz PDPIYHQIIAFFIA-UHFFFAOYSA-N -2 3 271.294 1.242 10 0 CDAEHL CS(=O)(=O)[N-]c1c(C(=O)[O-])ccc(F)c1Cl ZINC000141797170 342054639 /nfs/dbraw/zinc/05/46/39/342054639.db2.gz RBKKGFSHRMVARD-UHFFFAOYSA-N -2 3 267.665 1.549 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000085323346 179016791 /nfs/dbraw/zinc/01/67/91/179016791.db2.gz XFUHQJDGGDLURT-GXSJLCMTSA-N -2 3 263.293 1.765 10 0 CDAEHL Cc1cc(NC(=O)[C@H](N)CCC(=O)[O-])cc(C(=O)[O-])c1C ZINC000085844747 179186052 /nfs/dbraw/zinc/18/60/52/179186052.db2.gz SCLPRPLSNAECIA-LLVKDONJSA-N -2 3 294.307 1.132 10 0 CDAEHL CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000111309675 186394556 /nfs/dbraw/zinc/39/45/56/186394556.db2.gz KVSWPGUEQXSHSK-UHFFFAOYSA-N -2 3 287.337 1.935 10 0 CDAEHL O=c1cc(C[C@H]2CCCO2)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000634587324 356467397 /nfs/dbraw/zinc/46/73/97/356467397.db2.gz LDBORKKBJUDDDN-MRVPVSSYSA-N -2 3 296.714 1.497 10 0 CDAEHL CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000263117326 359232034 /nfs/dbraw/zinc/23/20/34/359232034.db2.gz SABLOXAYVVAMQW-QWRGUYRKSA-N -2 3 293.319 1.405 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C1CC1 ZINC000564972660 359469860 /nfs/dbraw/zinc/46/98/60/359469860.db2.gz MJUPKLOXKFHNSK-LBPRGKRZSA-N -2 3 289.328 1.698 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c(F)c1 ZINC000404998971 482853407 /nfs/dbraw/zinc/85/34/07/482853407.db2.gz ISFFWTLWYIVOGL-RKDXNWHRSA-N -2 3 289.328 1.522 10 0 CDAEHL Cc1ccc([O-])c(CN(CC(=O)[O-])C2CCC2)n1 ZINC000656100424 413021298 /nfs/dbraw/zinc/02/12/98/413021298.db2.gz LZYFXNQLDKEWJH-UHFFFAOYSA-N -2 3 250.298 1.535 10 0 CDAEHL Cc1c(C(C)C)[n-][nH]c1=NC(=O)N=c1cccn[n-]1 ZINC000646304014 392390121 /nfs/dbraw/zinc/39/01/21/392390121.db2.gz PVSPKZXKPLXDGM-UHFFFAOYSA-N -2 3 260.301 1.119 10 0 CDAEHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc([O-])cc(F)c1 ZINC000179331050 148105845 /nfs/dbraw/zinc/10/58/45/148105845.db2.gz QQQZSWWBBKQYPL-NSHDSACASA-N -2 3 275.301 1.452 10 0 CDAEHL CC(C)c1n[n-]c(=NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000359679384 158333169 /nfs/dbraw/zinc/33/31/69/158333169.db2.gz XRCSOGTVCNIUNE-UHFFFAOYSA-N -2 3 292.290 1.832 10 0 CDAEHL CC(C)c1n[n-]c(=NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000359679384 158333170 /nfs/dbraw/zinc/33/31/70/158333170.db2.gz XRCSOGTVCNIUNE-UHFFFAOYSA-N -2 3 292.290 1.832 10 0 CDAEHL CC(C)c1n[n-]c(=NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000359679384 158333171 /nfs/dbraw/zinc/33/31/71/158333171.db2.gz XRCSOGTVCNIUNE-UHFFFAOYSA-N -2 3 292.290 1.832 10 0 CDAEHL Nc1nc(C(=O)[O-])c(CCCCc2ccccc2)c(=O)[n-]1 ZINC000004771764 170014638 /nfs/dbraw/zinc/01/46/38/170014638.db2.gz DASGXZOAANZTQV-UHFFFAOYSA-N -2 3 287.319 1.616 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1)C1CC1 ZINC000035140607 172008154 /nfs/dbraw/zinc/00/81/54/172008154.db2.gz IHQRLWHPOCYRDD-SSDOTTSWSA-N -2 3 289.378 1.452 10 0 CDAEHL CC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC000039592669 174170774 /nfs/dbraw/zinc/17/07/74/174170774.db2.gz OYERGXJTWWJUOU-UHFFFAOYSA-N -2 3 281.289 1.751 10 0 CDAEHL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C[C@@H](C)O1 ZINC000040530822 174316871 /nfs/dbraw/zinc/31/68/71/174316871.db2.gz XQYSRPRMDYEOJD-RKDXNWHRSA-N -2 3 294.307 1.732 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)[C@H](C)C(=O)[O-] ZINC000133279628 279735995 /nfs/dbraw/zinc/73/59/95/279735995.db2.gz PDKOTSWPOVKIRG-NKWVEPMBSA-N -2 3 293.291 1.352 10 0 CDAEHL Cc1noc(=NC([O-])=CSc2nnc(C)n2C(C)C)[n-]1 ZINC000488777925 280825269 /nfs/dbraw/zinc/82/52/69/280825269.db2.gz AROQSYZIRDYWHB-UHFFFAOYSA-N -2 3 296.356 1.012 10 0 CDAEHL COc1nc([N-]C(=O)c2c(C)noc2C(F)F)n[n-]1 ZINC000679319650 483337282 /nfs/dbraw/zinc/33/72/82/483337282.db2.gz OKAXVSDICCIUBF-UHFFFAOYSA-N -2 3 273.199 1.300 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767155 521615497 /nfs/dbraw/zinc/61/54/97/521615497.db2.gz MQJNHFNDXHWKJK-UTLUCORTSA-N -2 3 299.396 1.963 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767147 521615854 /nfs/dbraw/zinc/61/58/54/521615854.db2.gz HHRCYGPYBPLJJE-IUCAKERBSA-N -2 3 285.369 1.717 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767218 523092569 /nfs/dbraw/zinc/09/25/69/523092569.db2.gz IVXNAFIPLJTQLU-HTQZYQBOSA-N -2 3 271.342 1.327 10 0 CDAEHL C[C@@H](CCc1ccco1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592062 524546868 /nfs/dbraw/zinc/54/68/68/524546868.db2.gz UBZCYFHSWKVKQV-QMMMGPOBSA-N -2 3 297.336 1.535 10 0 CDAEHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCC2)c1F ZINC000052209096 526340194 /nfs/dbraw/zinc/34/01/94/526340194.db2.gz HYKDMJGSDKSNEW-UHFFFAOYSA-N -2 3 291.275 1.494 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062767301 527022266 /nfs/dbraw/zinc/02/22/66/527022266.db2.gz JFBKVTRWICZGFG-SFYZADRCSA-N -2 3 271.342 1.234 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCSc1ccccc1F ZINC000069055017 527615407 /nfs/dbraw/zinc/61/54/07/527615407.db2.gz PDDHRJPTCOKOOE-UHFFFAOYSA-N -2 3 273.285 1.440 10 0 CDAEHL CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000737877988 576019851 /nfs/dbraw/zinc/01/98/51/576019851.db2.gz OMJGYPAMNJGJLE-GZMMTYOYSA-N -2 3 265.265 1.454 10 0 CDAEHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000871995972 775721443 /nfs/dbraw/zinc/72/14/43/775721443.db2.gz BREAUUZPFINFOD-NSHDSACASA-N -2 3 273.310 1.201 10 0 CDAEHL O=C(Nc1ccc([O-])c(Cl)c1)c1c[n-]ncc1=O ZINC001446464229 966550311 /nfs/dbraw/zinc/55/03/11/966550311.db2.gz ASEYACSPVCNKEI-UHFFFAOYSA-N -2 3 265.656 1.794 10 0 CDAEHL CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccccc1[O-] ZINC001471645840 970450885 /nfs/dbraw/zinc/45/08/85/970450885.db2.gz GSJBJPYFOFBOPB-UHFFFAOYSA-N -2 3 275.312 1.204 10 0 CDAEHL Cc1nc2ccc(C(=O)N=c3ccc([O-])n[n-]3)cc2o1 ZINC000348481736 360093479 /nfs/dbraw/zinc/09/34/79/360093479.db2.gz AUJTXMYYAXDMSA-UHFFFAOYSA-N -2 3 270.248 1.306 10 0 CDAEHL CO[C@H](C)c1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000337943267 360559282 /nfs/dbraw/zinc/55/92/82/360559282.db2.gz CZMGTLDFVWVFMC-SSDOTTSWSA-N -2 3 266.326 1.380 10 0 CDAEHL C[C@@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000414344836 241159982 /nfs/dbraw/zinc/15/99/82/241159982.db2.gz RVZJGUWKZGNMHO-ZCFIWIBFSA-N -2 3 281.330 1.473 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[O-])C1CC1 ZINC000578625965 372520550 /nfs/dbraw/zinc/52/05/50/372520550.db2.gz WKEAOGUJNLXHDH-GFCCVEGCSA-N -2 3 271.338 1.559 10 0 CDAEHL N[C@@H](c1sc(Cl)nc1Cl)P(=O)([O-])[O-] ZINC000307578518 373039444 /nfs/dbraw/zinc/03/94/44/373039444.db2.gz NXKMLXJAFWWHNF-GSVOUGTGSA-N -2 3 263.042 1.585 10 0 CDAEHL COC[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C1 ZINC000081106618 373643651 /nfs/dbraw/zinc/64/36/51/373643651.db2.gz QABFIYHYTYGXDF-VIFPVBQESA-N -2 3 294.307 1.591 10 0 CDAEHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000572153338 377743167 /nfs/dbraw/zinc/74/31/67/377743167.db2.gz RBMYPSWTLNENOI-LLVKDONJSA-N -2 3 275.326 1.510 10 0 CDAEHL Cc1c(C(C)C)[n-][nH]c1=NC(=O)N=c1cc(C)c(C)n[n-]1 ZINC000646272519 392226865 /nfs/dbraw/zinc/22/68/65/392226865.db2.gz AIGUYMIGBLFIDU-UHFFFAOYSA-N -2 3 288.355 1.736 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]CCCCF)sc1C(=O)[O-] ZINC000311096423 149209082 /nfs/dbraw/zinc/20/90/82/149209082.db2.gz JFKLQMPSVRCOQK-UHFFFAOYSA-N -2 3 295.357 1.783 10 0 CDAEHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000348886225 154003078 /nfs/dbraw/zinc/00/30/78/154003078.db2.gz LHYUOTVPYJXPKL-UHFFFAOYSA-N -2 3 271.273 1.364 10 0 CDAEHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccs1)CC1CC1 ZINC000405475159 413606625 /nfs/dbraw/zinc/60/66/25/413606625.db2.gz LRSMQHPWQHXDND-VIFPVBQESA-N -2 3 289.378 1.527 10 0 CDAEHL O=C([O-])CSc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000037368438 173157198 /nfs/dbraw/zinc/15/71/98/173157198.db2.gz VYWPFYCFZCLXQY-UHFFFAOYSA-N -2 3 271.248 1.927 10 0 CDAEHL CC(C)C[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483675 174287166 /nfs/dbraw/zinc/28/71/66/174287166.db2.gz XCWPPNJGZBCCST-LLVKDONJSA-N -2 3 294.307 1.395 10 0 CDAEHL Cc1cccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1[O-] ZINC000043508466 175059835 /nfs/dbraw/zinc/05/98/35/175059835.db2.gz IGJWAHIBCFPLIL-ZDUSSCGKSA-N -2 3 281.333 1.391 10 0 CDAEHL Cn1nccc1CNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000071336250 176127556 /nfs/dbraw/zinc/12/75/56/176127556.db2.gz FVTIVDMLIGKUOQ-UHFFFAOYSA-N -2 3 290.279 1.146 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000575179430 295094682 /nfs/dbraw/zinc/09/46/82/295094682.db2.gz BRQQLGLSHDARSY-MRVPVSSYSA-N -2 3 261.299 1.059 10 0 CDAEHL CCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)CC(=O)[O-] ZINC000061177849 520089281 /nfs/dbraw/zinc/08/92/81/520089281.db2.gz LUZXJTGFHGLAJC-QMMMGPOBSA-N -2 3 267.281 1.423 10 0 CDAEHL CCN(C(=O)c1cccc(OC)c1[O-])[C@@H](C)CC(=O)[O-] ZINC000061178508 520102004 /nfs/dbraw/zinc/10/20/04/520102004.db2.gz XRIFACNJHKRUEZ-VIFPVBQESA-N -2 3 281.308 1.726 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1cc(C=CC(=O)[O-])cs1 ZINC000061593249 527020369 /nfs/dbraw/zinc/02/03/69/527020369.db2.gz GSOGZGGCLKWXFL-NSCUHMNNSA-N -2 3 297.361 1.560 10 0 CDAEHL Cn1c(=O)[n-]nc1SC[C@@H](C(=O)[O-])c1ccccc1 ZINC000062767288 527020698 /nfs/dbraw/zinc/02/06/98/527020698.db2.gz NYLHCHNMQHNRPW-SECBINFHSA-N -2 3 279.321 1.069 10 0 CDAEHL CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])C[C@@]1(F)C(=O)[O-] ZINC000910552158 618259051 /nfs/dbraw/zinc/25/90/51/618259051.db2.gz NXLJWRTWIIFMAS-BMIGLBTASA-N -2 3 295.310 1.976 10 0 CDAEHL O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3nnn[n-]3)c2)o1 ZINC001634296678 1166486969 /nfs/dbraw/zinc/48/69/69/1166486969.db2.gz IZDNUYVYFHNUBA-UHFFFAOYSA-N -2 3 299.246 1.230 10 0 CDAEHL O=Cc1ccc(-c2ccc([O-])c(C(=O)Nc3nn[n-]n3)c2)o1 ZINC001634296678 1166486973 /nfs/dbraw/zinc/48/69/73/1166486973.db2.gz IZDNUYVYFHNUBA-UHFFFAOYSA-N -2 3 299.246 1.230 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c(F)c1F ZINC000629294764 361818119 /nfs/dbraw/zinc/81/81/19/361818119.db2.gz BQFCUWKKMZRFEM-ZETCQYMHSA-N -2 3 293.291 1.272 10 0 CDAEHL CN(CC1CC1)S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000608342166 345727098 /nfs/dbraw/zinc/72/70/98/345727098.db2.gz PAMVJWULMUFQAU-UHFFFAOYSA-N -2 3 274.317 1.530 10 0 CDAEHL C[C@H]1CCCN1S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000681131409 482715055 /nfs/dbraw/zinc/71/50/55/482715055.db2.gz ZYPLCWYWZYIJTD-QMMMGPOBSA-N -2 3 274.317 1.672 10 0 CDAEHL CC1(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)CC1 ZINC000569609574 358796500 /nfs/dbraw/zinc/79/65/00/358796500.db2.gz SQQCTRRCDWJVAO-UHFFFAOYSA-N -2 3 271.294 1.385 10 0 CDAEHL O=S(=O)(CCOCC1CC1)[N-]c1cc([O-])cc(F)c1 ZINC000516450737 360603955 /nfs/dbraw/zinc/60/39/55/360603955.db2.gz AOYMZKJBNMGVGU-UHFFFAOYSA-N -2 3 289.328 1.700 10 0 CDAEHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000138537476 370012678 /nfs/dbraw/zinc/01/26/78/370012678.db2.gz CRUGJOZUHKUEBE-UHFFFAOYSA-N -2 3 275.351 1.281 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccc(F)cc1[O-] ZINC000436999082 249494054 /nfs/dbraw/zinc/49/40/54/249494054.db2.gz IRNVGUDGSAVDNQ-GFCCVEGCSA-N -2 3 291.282 1.780 10 0 CDAEHL COc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c([O-])c1 ZINC000062842132 413019315 /nfs/dbraw/zinc/01/93/15/413019315.db2.gz QGBYBRKCUAJCFG-UHFFFAOYSA-N -2 3 293.319 1.728 10 0 CDAEHL COC[C@@]1(C(=O)[O-])CCN(Cc2cccc([O-])c2Cl)C1 ZINC000328444465 392651048 /nfs/dbraw/zinc/65/10/48/392651048.db2.gz ICAXVDFELWVMRI-CQSZACIVSA-N -2 3 299.754 1.969 10 0 CDAEHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)CCCF ZINC000266811037 131781738 /nfs/dbraw/zinc/78/17/38/131781738.db2.gz NOODOUJDACGMRM-UHFFFAOYSA-N -2 3 279.264 1.625 10 0 CDAEHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000656162252 413064252 /nfs/dbraw/zinc/06/42/52/413064252.db2.gz QOMXEIWERGLDRR-SECBINFHSA-N -2 3 297.254 1.056 10 0 CDAEHL Cn1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)n1 ZINC000348890006 154004084 /nfs/dbraw/zinc/00/40/84/154004084.db2.gz USQDWVMOBOCGRG-UHFFFAOYSA-N -2 3 271.273 1.066 10 0 CDAEHL CC[C@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022144728 171356510 /nfs/dbraw/zinc/35/65/10/171356510.db2.gz KWIKVOKDODELQZ-GZMMTYOYSA-N -2 3 251.282 1.621 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000656723569 413608944 /nfs/dbraw/zinc/60/89/44/413608944.db2.gz LTYVCHNNLRJCQB-LPEHRKFASA-N -2 3 299.348 1.692 10 0 CDAEHL CCN(Cc1nc(=O)c2sccc2[n-]1)C[C@H](C)C(=O)[O-] ZINC000061219402 521457587 /nfs/dbraw/zinc/45/75/87/521457587.db2.gz JHTAHELFTBAVPL-QMMMGPOBSA-N -2 3 295.364 1.527 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCCOc1ccc(F)cc1 ZINC000069055004 527615023 /nfs/dbraw/zinc/61/50/23/527615023.db2.gz AZJLNEDEPYJVSV-UHFFFAOYSA-N -2 3 271.244 1.117 10 0 CDAEHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905989533 627084670 /nfs/dbraw/zinc/08/46/70/627084670.db2.gz HTNQALFYJJZPFD-UHFFFAOYSA-N -2 3 287.312 1.937 10 0 CDAEHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]OCCC(F)(F)F ZINC000911804642 629535060 /nfs/dbraw/zinc/53/50/60/629535060.db2.gz GODHHDRTCJCPOO-JGVFFNPUSA-N -2 3 299.245 1.257 10 0 CDAEHL O=C(Nc1cccc(Cl)c1[O-])c1cnncc1[O-] ZINC001295829096 954756835 /nfs/dbraw/zinc/75/68/35/954756835.db2.gz XPENDDNYWMEXOB-UHFFFAOYSA-N -2 3 265.656 1.794 10 0 CDAEHL Cc1cccc(C(=O)NC2(c3nnn[n-]3)CCCC2)c1[O-] ZINC000095343743 539042136 /nfs/dbraw/zinc/04/21/36/539042136.db2.gz SRPOOLBMGZKZEH-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL Cc1cccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c1[O-] ZINC000095343743 539042137 /nfs/dbraw/zinc/04/21/37/539042137.db2.gz SRPOOLBMGZKZEH-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL Cc1ccc(C(=O)CSc2nc([O-])cc(=O)[n-]2)cc1 ZINC000000045557 355881354 /nfs/dbraw/zinc/88/13/54/355881354.db2.gz VCGPUUNPMNLAAB-UHFFFAOYSA-N -2 3 276.317 1.313 10 0 CDAEHL O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cccc([O-])c1 ZINC000357007742 366689610 /nfs/dbraw/zinc/68/96/10/366689610.db2.gz XUEOEHLRMFWOEO-UHFFFAOYSA-N -2 3 297.274 1.326 10 0 CDAEHL Cc1cccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1[O-] ZINC000527500722 391023418 /nfs/dbraw/zinc/02/34/18/391023418.db2.gz FPPSBMXRSMKIMT-GFCCVEGCSA-N -2 3 287.319 1.949 10 0 CDAEHL CSCC[C@@H](NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000005662248 170125027 /nfs/dbraw/zinc/12/50/27/170125027.db2.gz AYWKSGHXFGRLHP-SNVBAGLBSA-N -2 3 269.322 1.328 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CC3CC2(C(=O)[O-])C3)c1 ZINC000659179461 413588966 /nfs/dbraw/zinc/58/89/66/413588966.db2.gz JNWDASOTOVBAOQ-UHFFFAOYSA-N -2 3 277.276 1.090 10 0 CDAEHL NC1(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)CCCC1 ZINC000040483702 174286773 /nfs/dbraw/zinc/28/67/73/174286773.db2.gz LJXXJTPVHLHXGO-UHFFFAOYSA-N -2 3 292.291 1.293 10 0 CDAEHL CC1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000045134909 175312755 /nfs/dbraw/zinc/31/27/55/175312755.db2.gz XLYFPAZATDDPMM-SSDOTTSWSA-N -2 3 259.283 1.055 10 0 CDAEHL CC[C@H](C)[C@@H](Nc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)[O-] ZINC000075218713 176674106 /nfs/dbraw/zinc/67/41/06/176674106.db2.gz KKLMYRURSJBWAX-YLWLKBPMSA-N -2 3 293.245 1.700 10 0 CDAEHL COc1cccc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1[O-] ZINC000234973644 280125797 /nfs/dbraw/zinc/12/57/97/280125797.db2.gz DUBVYWOMSFZWEX-CABZTGNLSA-N -2 3 293.319 1.726 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000666302848 482646210 /nfs/dbraw/zinc/64/62/10/482646210.db2.gz JFNWBJYGGLBUDC-UHFFFAOYSA-N -2 3 273.354 1.867 10 0 CDAEHL CC(C)CC[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000069236245 519692073 /nfs/dbraw/zinc/69/20/73/519692073.db2.gz CQIDAUHBLWAJLJ-QMMMGPOBSA-N -2 3 273.358 1.745 10 0 CDAEHL CCOC(=O)[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000049376195 521017335 /nfs/dbraw/zinc/01/73/35/521017335.db2.gz COBYVCALTPXTEV-SSDOTTSWSA-N -2 3 296.279 1.164 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1c(F)cccc1C(=O)[O-] ZINC000061593855 521615765 /nfs/dbraw/zinc/61/57/65/521615765.db2.gz NRQHTBJHXGYPEG-UHFFFAOYSA-N -2 3 297.311 1.970 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1CCC[C@H]1C(=O)[O-] ZINC000062767145 521615960 /nfs/dbraw/zinc/61/59/60/521615960.db2.gz LMWRMSFHMYXRRH-SFYZADRCSA-N -2 3 271.342 1.327 10 0 CDAEHL O=C([O-])C1CCC(CC(=O)[N-]OCC(F)F)CC1 ZINC000911804144 629534526 /nfs/dbraw/zinc/53/45/26/629534526.db2.gz XJJMKIJBARPBEV-UHFFFAOYSA-N -2 3 265.256 1.580 10 0 CDAEHL COc1nnc(NC(=O)c2ccc3[n-]c(=S)oc3c2)[n-]1 ZINC000179366643 785895841 /nfs/dbraw/zinc/89/58/41/785895841.db2.gz VTEMAKJCKBCYSS-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL COc1nc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n[n-]1 ZINC000179366643 785895842 /nfs/dbraw/zinc/89/58/42/785895842.db2.gz VTEMAKJCKBCYSS-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL COc1n[n-]c(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000179366643 785895843 /nfs/dbraw/zinc/89/58/43/785895843.db2.gz VTEMAKJCKBCYSS-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(Cl)c1[O-] ZINC001361923229 970679941 /nfs/dbraw/zinc/67/99/41/970679941.db2.gz BMDUDLAIJNZRKG-QMMMGPOBSA-N -2 3 295.726 1.287 10 0 CDAEHL COc1nnc(NC(=O)c2coc(C3CCC3)n2)[n-]1 ZINC000192843075 539157228 /nfs/dbraw/zinc/15/72/28/539157228.db2.gz OCXCXPPBTHGBAG-UHFFFAOYSA-N -2 3 263.257 1.321 10 0 CDAEHL COc1nc([N-]C(=O)c2coc(C3CCC3)n2)n[n-]1 ZINC000192843075 539157230 /nfs/dbraw/zinc/15/72/30/539157230.db2.gz OCXCXPPBTHGBAG-UHFFFAOYSA-N -2 3 263.257 1.321 10 0 CDAEHL O=Cc1[n-][n-]c2cc(I)cc(=O)c1-2 ZINC000014984231 345050539 /nfs/dbraw/zinc/05/05/39/345050539.db2.gz YLGRLJWHIZFMRO-UHFFFAOYSA-N -2 3 288.044 1.686 10 0 CDAEHL CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(C)cc2[O-])C1 ZINC000263117324 359232346 /nfs/dbraw/zinc/23/23/46/359232346.db2.gz SABLOXAYVVAMQW-GHMZBOCLSA-N -2 3 293.319 1.405 10 0 CDAEHL Nc1cc(CC(=O)[O-])cc([O-])c1I ZINC000575719544 374025508 /nfs/dbraw/zinc/02/55/08/374025508.db2.gz WIBRWLIHOQFFSP-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL O=C([O-])[C@@]1(CC(=O)Nc2cc(F)ccc2[O-])CCOC1 ZINC000656480365 413330673 /nfs/dbraw/zinc/33/06/73/413330673.db2.gz NEGLWVKQIKIROK-CYBMUJFWSA-N -2 3 283.255 1.351 10 0 CDAEHL CC(C)(C)[C@@H](NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000035390395 172173824 /nfs/dbraw/zinc/17/38/24/172173824.db2.gz TXYPUTTXUBMSEB-JTQLQIEISA-N -2 3 251.282 1.621 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)N2CCCC2)s1 ZINC000035426750 172194651 /nfs/dbraw/zinc/19/46/51/172194651.db2.gz WATRQFXGZQYUSL-UHFFFAOYSA-N -2 3 276.339 1.199 10 0 CDAEHL CCOC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000044681429 175228998 /nfs/dbraw/zinc/22/89/98/175228998.db2.gz JEHTTZNMDOZTQM-QMMMGPOBSA-N -2 3 282.296 1.637 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)o1 ZINC000581135968 324661145 /nfs/dbraw/zinc/66/11/45/324661145.db2.gz SPLFKTRZIWXABB-SECBINFHSA-N -2 3 275.326 1.366 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000582726167 325031590 /nfs/dbraw/zinc/03/15/90/325031590.db2.gz PRBVNJZBHVYNKT-PWSUYJOCSA-N -2 3 277.320 1.883 10 0 CDAEHL Cc1ccc(CCc2nc(C)c(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000052945906 524351823 /nfs/dbraw/zinc/35/18/23/524351823.db2.gz WQRSBZMBQWOKOK-UHFFFAOYSA-N -2 3 272.304 1.870 10 0 CDAEHL Cc1ccc(Cn2c(=O)[n-]nc2SCC(=O)[O-])s1 ZINC000061591888 524761741 /nfs/dbraw/zinc/76/17/41/524761741.db2.gz QPNFXBNWCDIJNJ-UHFFFAOYSA-N -2 3 285.350 1.166 10 0 CDAEHL CC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCC1 ZINC000871994336 789884383 /nfs/dbraw/zinc/88/43/83/789884383.db2.gz VWNOTGOBOXNNKB-UHFFFAOYSA-N -2 3 287.337 1.836 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H](C)C(=O)[O-] ZINC000133300436 342069965 /nfs/dbraw/zinc/06/99/65/342069965.db2.gz AINDDZDONTZILS-RNFRBKRXSA-N -2 3 293.291 1.352 10 0 CDAEHL COC(=O)CCc1cc(=O)oc2cc([O-])cc([O-])c12 ZINC000584626334 346503518 /nfs/dbraw/zinc/50/35/18/346503518.db2.gz UAHGVGBRULSDRL-UHFFFAOYSA-N -2 3 264.233 1.310 10 0 CDAEHL C[C@H]1[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC[C@@H]1C ZINC000086072707 179224944 /nfs/dbraw/zinc/22/49/44/179224944.db2.gz WIWVRQNHALXDRS-DJLDLDEBSA-N -2 3 287.337 1.691 10 0 CDAEHL C[C@H]1SC[C@H](C(=O)[O-])N1C(=O)c1ccccc1[O-] ZINC000104269715 185949826 /nfs/dbraw/zinc/94/98/26/185949826.db2.gz OOOJWCJXHNDYDF-VXNVDRBHSA-N -2 3 267.306 1.380 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1F ZINC000656162067 413065196 /nfs/dbraw/zinc/06/51/96/413065196.db2.gz AQIZQMBPNCWDHA-QMMMGPOBSA-N -2 3 293.291 1.225 10 0 CDAEHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])o1 ZINC000037732167 398104158 /nfs/dbraw/zinc/10/41/58/398104158.db2.gz MJWWMVWXDMXQPU-SSDOTTSWSA-N -2 3 299.308 1.049 10 0 CDAEHL O=C(CSc1nccc(=O)[n-]1)c1ccc([O-])cc1 ZINC000035255066 172084961 /nfs/dbraw/zinc/08/49/61/172084961.db2.gz UZXZNMOGHQVSKK-UHFFFAOYSA-N -2 3 262.290 1.451 10 0 CDAEHL Cc1cnc(C(=O)[N-]N2CCc3ccccc3C2=O)c([O-])c1 ZINC000779063025 934388520 /nfs/dbraw/zinc/38/85/20/934388520.db2.gz ZKSXMGQCZGHLDI-UHFFFAOYSA-N -2 3 297.314 1.439 10 0 CDAEHL COc1ccc(-c2nc([O-])cc(=O)[n-]2)cc1Br ZINC000082587165 178124458 /nfs/dbraw/zinc/12/44/58/178124458.db2.gz JYBSNVKQPBOZKK-UHFFFAOYSA-N -2 3 297.108 1.914 10 0 CDAEHL C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)CC(=O)[O-] ZINC000147247499 362415940 /nfs/dbraw/zinc/41/59/40/362415940.db2.gz PDSXDULYZRXCFE-ZETCQYMHSA-N -2 3 293.291 1.354 10 0 CDAEHL CCc1nc(-c2nc[n-]n2)[n-]c(=O)c1Br ZINC000085448724 179064423 /nfs/dbraw/zinc/06/44/23/179064423.db2.gz VBGIAXQROUZYGD-UHFFFAOYSA-N -2 3 270.090 1.292 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])o1 ZINC000581367808 372977727 /nfs/dbraw/zinc/97/77/27/372977727.db2.gz UGHGDGBJCPBKRD-UHFFFAOYSA-N -2 3 261.299 1.120 10 0 CDAEHL COc1nc([N-]C(=O)c2ccc(Br)o2)n[n-]1 ZINC000126808044 392589324 /nfs/dbraw/zinc/58/93/24/392589324.db2.gz DKMYXYIQJKEKPS-UHFFFAOYSA-N -2 3 287.073 1.421 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000147359696 289067749 /nfs/dbraw/zinc/06/77/49/289067749.db2.gz GTPLZOSQFPVATO-QMMMGPOBSA-N -2 3 277.367 1.527 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)cc1C(=O)[O-] ZINC000578353751 323908892 /nfs/dbraw/zinc/90/88/92/323908892.db2.gz VLSGAEQQSDWZRY-MRVPVSSYSA-N -2 3 289.353 1.857 10 0 CDAEHL CC(C)(c1ccc(F)cc1)c1ncc(C(=O)[O-])c(=O)[n-]1 ZINC000069398994 519379501 /nfs/dbraw/zinc/37/95/01/519379501.db2.gz OLJSKHPUZKNEOJ-UHFFFAOYSA-N -2 3 276.267 1.933 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000061216053 521245954 /nfs/dbraw/zinc/24/59/54/521245954.db2.gz BYDKEGMOZCADDA-QMMMGPOBSA-N -2 3 276.296 1.141 10 0 CDAEHL O=C([O-])CC1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000398312590 805072407 /nfs/dbraw/zinc/07/24/07/805072407.db2.gz RNINXUYNNRBGQU-UHFFFAOYSA-N -2 3 269.684 1.783 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@]23C[C@@H]2CCCC3)o1 ZINC000693567110 896757387 /nfs/dbraw/zinc/75/73/87/896757387.db2.gz HEHMAMHLFLEFES-TVQRCGJNSA-N -2 3 299.348 1.836 10 0 CDAEHL O=C([O-])CCCCCCC[N-]S(=O)(=O)C(F)F ZINC000402984734 940913235 /nfs/dbraw/zinc/91/32/35/940913235.db2.gz AQEIQSKEQWSMNV-UHFFFAOYSA-N -2 3 273.301 1.554 10 0 CDAEHL C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263564020 295799942 /nfs/dbraw/zinc/79/99/42/295799942.db2.gz DRMPWJLVWXJZMR-VIFPVBQESA-N -2 3 277.320 1.816 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2CCC2)c(O)c1 ZINC000271301814 191059512 /nfs/dbraw/zinc/05/95/12/191059512.db2.gz ISPNAISTKJILFR-UHFFFAOYSA-N -2 3 285.321 1.632 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c(F)c1 ZINC000274962334 356878813 /nfs/dbraw/zinc/87/88/13/356878813.db2.gz HUJDDNXZWJWFGU-SECBINFHSA-N -2 3 289.328 1.523 10 0 CDAEHL CCC(CC)(CNC(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC000424431205 360055992 /nfs/dbraw/zinc/05/59/92/360055992.db2.gz ORCCBUSRZKLRBQ-UHFFFAOYSA-N -2 3 295.339 1.477 10 0 CDAEHL O=C(N=c1cc(C(F)(F)F)[n-][nH]1)c1ccc2n[n-]nc2c1 ZINC000448516297 283900018 /nfs/dbraw/zinc/90/00/18/283900018.db2.gz ISOGEWLNTVRQKV-UHFFFAOYSA-N -2 3 296.212 1.374 10 0 CDAEHL Cc1ccc([O-])c(CNC2(c3nn[n-]n3)CCCC2)n1 ZINC000547448956 369550005 /nfs/dbraw/zinc/55/00/05/369550005.db2.gz PRNDUWFRPLRQCH-UHFFFAOYSA-N -2 3 274.328 1.168 10 0 CDAEHL Cc1ccc([O-])c(CNC2(c3nnn[n-]3)CCCC2)n1 ZINC000547448956 369550013 /nfs/dbraw/zinc/55/00/13/369550013.db2.gz PRNDUWFRPLRQCH-UHFFFAOYSA-N -2 3 274.328 1.168 10 0 CDAEHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000133630739 375578330 /nfs/dbraw/zinc/57/83/30/375578330.db2.gz VBFRDMCXDQPJLM-UHFFFAOYSA-N -2 3 299.327 1.682 10 0 CDAEHL CC(=O)Nc1ccc2cc([O-])cc(S(=O)(=O)[O-])c2c1 ZINC000033605498 390398467 /nfs/dbraw/zinc/39/84/67/390398467.db2.gz FQVOHUNTVPFJNU-UHFFFAOYSA-N -2 3 281.289 1.751 10 0 CDAEHL C[C@@H]1COCCN1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040577900 174342738 /nfs/dbraw/zinc/34/27/38/174342738.db2.gz ABGUNKVYZZONHW-MRVPVSSYSA-N -2 3 280.280 1.343 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCC[C@H](CO)C2)c([O-])c1 ZINC000040582783 174345804 /nfs/dbraw/zinc/34/58/04/174345804.db2.gz KXNJQGNBFNNEOE-VIFPVBQESA-N -2 3 294.307 1.327 10 0 CDAEHL CC(C)c1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000530432132 281501004 /nfs/dbraw/zinc/50/10/04/281501004.db2.gz BEIZVCHSOAXYRE-UHFFFAOYSA-N -2 3 250.327 1.796 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C1CC1 ZINC000582360508 483133893 /nfs/dbraw/zinc/13/38/93/483133893.db2.gz QNRIMYHDLTUDOE-LLVKDONJSA-N -2 3 289.328 1.698 10 0 CDAEHL C[C@H](c1cccc(F)c1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591982 526080703 /nfs/dbraw/zinc/08/07/03/526080703.db2.gz VCUSCQZOFLYLJS-SSDOTTSWSA-N -2 3 297.311 1.497 10 0 CDAEHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905991727 627085480 /nfs/dbraw/zinc/08/54/80/627085480.db2.gz RUJFIAQXFYMPSQ-UHFFFAOYSA-N -2 3 291.275 1.768 10 0 CDAEHL COC(=O)c1[n-]c(=NC[C@H](C(=O)[O-])C(C)C)sc1C ZINC000594541737 342915523 /nfs/dbraw/zinc/91/55/23/342915523.db2.gz YNARLNUZISQMSB-QMMMGPOBSA-N -2 3 286.353 1.429 10 0 CDAEHL CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000037592358 356913366 /nfs/dbraw/zinc/91/33/66/356913366.db2.gz KROYAEJUFXDTAK-UHFFFAOYSA-N -2 3 259.283 1.242 10 0 CDAEHL O=c1cc(/C=C/c2ccc([O-])c(F)c2)nc2nc[n-]n21 ZINC000436931299 361611622 /nfs/dbraw/zinc/61/16/22/361611622.db2.gz JHSOXRCSKMPYGB-HNQUOIGGSA-N -2 3 272.239 1.433 10 0 CDAEHL CC(C)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)c([O-])c1 ZINC000436997467 361635580 /nfs/dbraw/zinc/63/55/80/361635580.db2.gz MYUHXUMZBZIBLH-UHFFFAOYSA-N -2 3 287.323 1.448 10 0 CDAEHL CC(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)c([O-])c1 ZINC000436997467 361635582 /nfs/dbraw/zinc/63/55/82/361635582.db2.gz MYUHXUMZBZIBLH-UHFFFAOYSA-N -2 3 287.323 1.448 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000514603192 364753341 /nfs/dbraw/zinc/75/33/41/364753341.db2.gz KPUVGVLMLURDSL-SKDRFNHKSA-N -2 3 293.319 1.584 10 0 CDAEHL COc1ccc([O-])c(C(=O)N[C@@](C)(CCF)C(=O)[O-])c1 ZINC000659214880 413020926 /nfs/dbraw/zinc/02/09/26/413020926.db2.gz GBEMBTZQYUMBFK-ZDUSSCGKSA-N -2 3 285.271 1.334 10 0 CDAEHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC000080988065 177745473 /nfs/dbraw/zinc/74/54/73/177745473.db2.gz FDTKSNRXTLTGDC-NSHDSACASA-N -2 3 263.293 1.862 10 0 CDAEHL COc1nc(NC(=O)c2ccc(Cl)cc2[O-])n[n-]1 ZINC000129453697 392816465 /nfs/dbraw/zinc/81/64/65/392816465.db2.gz IGUZTYWXTCBDJB-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL COc1nnc(NC(=O)c2ccc(Cl)cc2[O-])[n-]1 ZINC000129453697 392816466 /nfs/dbraw/zinc/81/64/66/392816466.db2.gz IGUZTYWXTCBDJB-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL COc1n[n-]c(NC(=O)c2ccc(Cl)cc2[O-])n1 ZINC000129453697 392816471 /nfs/dbraw/zinc/81/64/71/392816471.db2.gz IGUZTYWXTCBDJB-UHFFFAOYSA-N -2 3 268.660 1.425 10 0 CDAEHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc([O-])cc(F)c1 ZINC000179331059 148106926 /nfs/dbraw/zinc/10/69/26/148106926.db2.gz QQQZSWWBBKQYPL-LLVKDONJSA-N -2 3 275.301 1.452 10 0 CDAEHL COc1nc([N-]C(=O)c2snnc2C(C)(C)C)n[n-]1 ZINC000129421976 286555481 /nfs/dbraw/zinc/55/54/81/286555481.db2.gz QHRDVWNFHXNBGW-UHFFFAOYSA-N -2 3 282.329 1.215 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccco1 ZINC000035739280 172393462 /nfs/dbraw/zinc/39/34/62/172393462.db2.gz LDBJMQUAGFOVEV-SSDOTTSWSA-N -2 3 285.277 1.610 10 0 CDAEHL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])[C@H](C)CO1 ZINC000040578298 174343201 /nfs/dbraw/zinc/34/32/01/174343201.db2.gz WOMLYJLCKWRZRQ-RKDXNWHRSA-N -2 3 294.307 1.732 10 0 CDAEHL CCC(C)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000573961725 294919953 /nfs/dbraw/zinc/91/99/53/294919953.db2.gz XKZBNQJCBQYFDN-UHFFFAOYSA-N -2 3 275.326 1.835 10 0 CDAEHL Nc1cnc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cn1 ZINC000574626070 295028284 /nfs/dbraw/zinc/02/82/84/295028284.db2.gz WPUXOUNFGSWTQF-UHFFFAOYSA-N -2 3 255.237 1.080 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc([O-])c(F)c1 ZINC000681046864 482669666 /nfs/dbraw/zinc/66/96/66/482669666.db2.gz DRJWGTFGIGGJPY-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc([O-])c(F)c1 ZINC000681046864 482669671 /nfs/dbraw/zinc/66/96/71/482669671.db2.gz DRJWGTFGIGGJPY-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL C[C@@H](c1cccc(F)c1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591981 526072981 /nfs/dbraw/zinc/07/29/81/526072981.db2.gz VCUSCQZOFLYLJS-ZETCQYMHSA-N -2 3 297.311 1.497 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC000902988648 625731690 /nfs/dbraw/zinc/73/16/90/625731690.db2.gz SNUAUSKPWRZJJM-MRVPVSSYSA-N -2 3 271.294 1.222 10 0 CDAEHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)O1 ZINC000911431231 629281181 /nfs/dbraw/zinc/28/11/81/629281181.db2.gz NFAZFGSTNIWGAK-GZMMTYOYSA-N -2 3 297.282 1.882 10 0 CDAEHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000087672934 827485520 /nfs/dbraw/zinc/48/55/20/827485520.db2.gz RPEJSRWHGFVJHL-RQJHMYQMSA-N -2 3 273.301 1.408 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCCC3(CC3)C2)c1 ZINC000695639480 899649836 /nfs/dbraw/zinc/64/98/36/899649836.db2.gz AFUNMRMSMDOYNX-JTQLQIEISA-N -2 3 299.348 1.979 10 0 CDAEHL CCc1ccc(C(=O)N[C@H](C)c2nn(C)cc2[O-])c([O-])c1 ZINC001363663853 953621921 /nfs/dbraw/zinc/62/19/21/953621921.db2.gz JBVDRICNWXLVTK-SECBINFHSA-N -2 3 289.335 1.885 10 0 CDAEHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cnncc1[O-] ZINC001470670390 970357064 /nfs/dbraw/zinc/35/70/64/970357064.db2.gz XPMGJLSLLMEZAO-UHFFFAOYSA-N -2 3 297.274 1.326 10 0 CDAEHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1c[n-]ncc1=O ZINC001470670390 970357076 /nfs/dbraw/zinc/35/70/76/970357076.db2.gz XPMGJLSLLMEZAO-UHFFFAOYSA-N -2 3 297.274 1.326 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c1 ZINC000629346354 361849129 /nfs/dbraw/zinc/84/91/29/361849129.db2.gz HQHLWDZCAUCFPX-SNVBAGLBSA-N -2 3 299.348 1.836 10 0 CDAEHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000564925912 293458268 /nfs/dbraw/zinc/45/82/68/293458268.db2.gz DLTHHHCUONZVGN-ZBJFTSOASA-N -2 3 273.310 1.286 10 0 CDAEHL O=C([O-])C[C@H](CNC(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000659203023 412597433 /nfs/dbraw/zinc/59/74/33/412597433.db2.gz FZPUBTZOGXKZHL-SNVBAGLBSA-N -2 3 288.307 1.189 10 0 CDAEHL O=C([O-])[C@H]1CCCCN1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342879 304181086 /nfs/dbraw/zinc/18/10/86/304181086.db2.gz XHSMLADOPOESNU-ZCFIWIBFSA-N -2 3 291.229 1.232 10 0 CDAEHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000193336115 378276707 /nfs/dbraw/zinc/27/67/07/378276707.db2.gz JTEPXKMRKMWZEE-ZETCQYMHSA-N -2 3 263.290 1.308 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1c([O-])cccc1F ZINC000526959614 391236450 /nfs/dbraw/zinc/23/64/50/391236450.db2.gz OGFKVYJPVZYFCX-LLVKDONJSA-N -2 3 291.282 1.780 10 0 CDAEHL CCCc1ncc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)s1 ZINC000647782303 391367194 /nfs/dbraw/zinc/36/71/94/391367194.db2.gz FSWBJGFFRHKMPN-UHFFFAOYSA-N -2 3 295.324 1.024 10 0 CDAEHL Cc1ncccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503355 392101791 /nfs/dbraw/zinc/10/17/91/392101791.db2.gz PBVHJVWYGKIKNH-FNORWQNLSA-N -2 3 299.330 1.969 10 0 CDAEHL Cn1cc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cn1 ZINC000035737948 397909862 /nfs/dbraw/zinc/90/98/62/397909862.db2.gz YHAXIRDTOABZGC-UHFFFAOYSA-N -2 3 295.320 1.060 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)Nc2nncs2)c([O-])c1 ZINC000040520895 174309663 /nfs/dbraw/zinc/30/96/63/174309663.db2.gz JQWZORWJHUOXPT-UHFFFAOYSA-N -2 3 280.265 1.586 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC[C@H]2CCCO2)c([O-])c1 ZINC000040557543 174331949 /nfs/dbraw/zinc/33/19/49/174331949.db2.gz UGGRASWIPQBCSU-SECBINFHSA-N -2 3 280.280 1.391 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)N2CCCCCC2)nc1 ZINC000041115451 174484007 /nfs/dbraw/zinc/48/40/07/174484007.db2.gz SYYORYNFHULASO-UHFFFAOYSA-N -2 3 299.352 1.313 10 0 CDAEHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000576881891 317224460 /nfs/dbraw/zinc/22/44/60/317224460.db2.gz OWYVPLIKASAMJW-SNVBAGLBSA-N -2 3 287.337 1.591 10 0 CDAEHL CC(=O)c1ccc(NC([O-])=NOCC(=O)[O-])cc1 ZINC000069073337 518372330 /nfs/dbraw/zinc/37/23/30/518372330.db2.gz IMIWGVSXJCPFIE-UHFFFAOYSA-N -2 3 252.226 1.027 10 0 CDAEHL CC(=O)c1ccc(NC(=O)[N-]OCC(=O)[O-])cc1 ZINC000069073337 518372334 /nfs/dbraw/zinc/37/23/34/518372334.db2.gz IMIWGVSXJCPFIE-UHFFFAOYSA-N -2 3 252.226 1.027 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767184 519919047 /nfs/dbraw/zinc/91/90/47/519919047.db2.gz NFIGROQTAOYLPI-BDAKNGLRSA-N -2 3 285.369 1.888 10 0 CDAEHL CCOc1ccc(/C=C/C(=O)[N-]OCC(=O)[O-])cc1 ZINC000070185821 520847103 /nfs/dbraw/zinc/84/71/03/520847103.db2.gz JFEQZFIWALHZOT-VMPITWQZSA-N -2 3 265.265 1.231 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc([O-])c1 ZINC000061215002 521198608 /nfs/dbraw/zinc/19/86/08/521198608.db2.gz VANPPUINMNLZKI-SECBINFHSA-N -2 3 251.282 1.575 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(CC3CC3)CC2)o1 ZINC000902986925 625730099 /nfs/dbraw/zinc/73/00/99/625730099.db2.gz AUJANWKUDBXZLO-UHFFFAOYSA-N -2 3 299.348 1.836 10 0 CDAEHL O=C([O-])Cc1ccc([N-]S(=O)(=O)CC2(F)CC2)cc1 ZINC000905991818 627085301 /nfs/dbraw/zinc/08/53/01/627085301.db2.gz VHWYLCSAPSLLAR-UHFFFAOYSA-N -2 3 287.312 1.558 10 0 CDAEHL O=C([O-])C1=CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000910202778 628895161 /nfs/dbraw/zinc/89/51/61/628895161.db2.gz WYZKJSSENKKRNS-JTQLQIEISA-N -2 3 279.267 1.363 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCCC2CC2)c1 ZINC000716331518 835126011 /nfs/dbraw/zinc/12/60/11/835126011.db2.gz PTBMMKMJWNQZNF-UHFFFAOYSA-N -2 3 287.337 1.836 10 0 CDAEHL O=C(CCCc1nnn[n-]1)NCc1ccc([O-])c(Cl)c1 ZINC001362853774 971669737 /nfs/dbraw/zinc/66/97/37/971669737.db2.gz KQGRYYKEOQKSHS-UHFFFAOYSA-N -2 3 295.730 1.198 10 0 CDAEHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]O[C@H](CO)C(C)C ZINC001468343671 970153788 /nfs/dbraw/zinc/15/37/88/970153788.db2.gz QHALVJOONKUKKE-SNVBAGLBSA-N -2 3 297.355 1.292 10 0 CDAEHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000036884551 539141517 /nfs/dbraw/zinc/14/15/17/539141517.db2.gz MEZIXGFZPVSLMU-UHFFFAOYSA-N -2 3 279.292 1.338 10 0 CDAEHL O=C([O-])[C@H](O)Cc1ccc([O-])c(Br)c1 ZINC000033834811 342445366 /nfs/dbraw/zinc/44/53/66/342445366.db2.gz JWGYBALPCIPYAK-MRVPVSSYSA-N -2 3 261.071 1.143 10 0 CDAEHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CC ZINC000275006616 365888329 /nfs/dbraw/zinc/88/83/29/365888329.db2.gz MPLAROITZQZDMH-UHFFFAOYSA-N -2 3 287.337 1.935 10 0 CDAEHL CCOc1cccc(-c2ncc(C(=O)[O-])c(=O)[n-]2)c1 ZINC000050102994 356727882 /nfs/dbraw/zinc/72/78/82/356727882.db2.gz FZKLTYVKHALIDW-UHFFFAOYSA-N -2 3 260.249 1.534 10 0 CDAEHL CSc1nc([N-]C(=O)c2sccc2F)n[n-]1 ZINC000335400502 357536035 /nfs/dbraw/zinc/53/60/35/357536035.db2.gz KROQHNIEBDAAIS-UHFFFAOYSA-N -2 3 258.303 1.980 10 0 CDAEHL C[C@H]1CCN(C(=O)CCc2nnn[n-]2)c2c([O-])cccc21 ZINC000632506944 377542625 /nfs/dbraw/zinc/54/26/25/377542625.db2.gz NKLDISKPEQVIOG-VIFPVBQESA-N -2 3 287.323 1.378 10 0 CDAEHL C[C@H]1CCN(C(=O)CCc2nn[n-]n2)c2c([O-])cccc21 ZINC000632506944 377542645 /nfs/dbraw/zinc/54/26/45/377542645.db2.gz NKLDISKPEQVIOG-VIFPVBQESA-N -2 3 287.323 1.378 10 0 CDAEHL Cn1nccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000348883448 154003296 /nfs/dbraw/zinc/00/32/96/154003296.db2.gz CDESLIVSRSXKBY-UHFFFAOYSA-N -2 3 271.273 1.066 10 0 CDAEHL CCCc1nc(=NC(=O)c2c[n-]nc2C)s[n-]1 ZINC000352224942 155036969 /nfs/dbraw/zinc/03/69/69/155036969.db2.gz GIDPWOAZZXPLPU-UHFFFAOYSA-N -2 3 251.315 1.196 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCC(CO)CC2)c([O-])c1 ZINC000040559202 174333473 /nfs/dbraw/zinc/33/34/73/174333473.db2.gz NBNGMCGPEASUPX-UHFFFAOYSA-N -2 3 294.307 1.327 10 0 CDAEHL CCc1ccc([O-])c(C(=O)N(C)[C@H](CC)C(=O)[O-])c1 ZINC000653344352 423845035 /nfs/dbraw/zinc/84/50/35/423845035.db2.gz VLGCVKICWAKTTF-LLVKDONJSA-N -2 3 265.309 1.890 10 0 CDAEHL CC(C)c1cc(=O)[n-]c(N2CCCC[C@H]2C(=O)[O-])n1 ZINC000057329576 280566675 /nfs/dbraw/zinc/56/66/75/280566675.db2.gz CNYYJTRTYNQGHJ-JTQLQIEISA-N -2 3 265.313 1.337 10 0 CDAEHL Cc1nsc([N-]C(=O)C(F)(F)F)c1C(=O)[O-] ZINC000038003843 302863154 /nfs/dbraw/zinc/86/31/54/302863154.db2.gz ZRJUMGLSGVOQAQ-UHFFFAOYSA-N -2 3 254.189 1.651 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)o1 ZINC000578241182 317500718 /nfs/dbraw/zinc/50/07/18/317500718.db2.gz WOTKLUPJBDNLGU-MWLCHTKSSA-N -2 3 289.353 1.612 10 0 CDAEHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc2n[n-]nc2c1 ZINC000580096457 324372178 /nfs/dbraw/zinc/37/21/78/324372178.db2.gz FPFZSXJZLWWCCA-LBPRGKRZSA-N -2 3 290.323 1.529 10 0 CDAEHL CCCC[C@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591891 521154524 /nfs/dbraw/zinc/15/45/24/521154524.db2.gz ZQLTXVHBZVOQBK-ZETCQYMHSA-N -2 3 259.331 1.499 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000061215156 521197402 /nfs/dbraw/zinc/19/74/02/521197402.db2.gz XAXHTNKXWVODOU-SECBINFHSA-N -2 3 281.308 1.584 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062767221 523094443 /nfs/dbraw/zinc/09/44/43/523094443.db2.gz YGRRTAWIGLXJFQ-IUCAKERBSA-N -2 3 285.369 1.717 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062767298 527021918 /nfs/dbraw/zinc/02/19/18/527021918.db2.gz JFBKVTRWICZGFG-JGVFFNPUSA-N -2 3 271.342 1.234 10 0 CDAEHL O=C([O-])CON=C([O-])Nc1cccc2ccccc21 ZINC000069073322 527615226 /nfs/dbraw/zinc/61/52/26/527615226.db2.gz QBJFNIWKPGCUPA-UHFFFAOYSA-N -2 3 260.249 1.978 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Nc1cccc2ccccc21 ZINC000069073322 527615230 /nfs/dbraw/zinc/61/52/30/527615230.db2.gz QBJFNIWKPGCUPA-UHFFFAOYSA-N -2 3 260.249 1.978 10 0 CDAEHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC(C)(C)CO ZINC001569243065 1169732839 /nfs/dbraw/zinc/73/28/39/1169732839.db2.gz FRESYUFNCGTKDH-UHFFFAOYSA-N -2 3 283.328 1.046 10 0 CDAEHL O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1nnn[n-]1 ZINC000720634886 836379134 /nfs/dbraw/zinc/37/91/34/836379134.db2.gz JEPPGCUUHKWFMB-VIFPVBQESA-N -2 3 293.714 1.536 10 0 CDAEHL O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1nn[n-]n1 ZINC000720634886 836379143 /nfs/dbraw/zinc/37/91/43/836379143.db2.gz JEPPGCUUHKWFMB-VIFPVBQESA-N -2 3 293.714 1.536 10 0 CDAEHL CCC[C@@H](CCCC[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000817420259 840051403 /nfs/dbraw/zinc/05/14/03/840051403.db2.gz RMCBQLROPKKQQJ-QMMMGPOBSA-N -2 3 287.328 1.800 10 0 CDAEHL O=C(c1cc(F)ccc1[O-])N1CCC[C@@H]1c1nnn[n-]1 ZINC000720627006 841213656 /nfs/dbraw/zinc/21/36/56/841213656.db2.gz HNSUCIQQHJJLCI-SECBINFHSA-N -2 3 277.259 1.022 10 0 CDAEHL O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ncccc1[O-] ZINC001434357177 961196754 /nfs/dbraw/zinc/19/67/54/961196754.db2.gz LFAQVLFFFYWAOC-UHFFFAOYSA-N -2 3 286.291 1.090 10 0 CDAEHL Cn1[n-]c(C(=O)Nc2c([O-])cccc2Cl)cc1=O ZINC001569682843 1169966138 /nfs/dbraw/zinc/96/61/38/1169966138.db2.gz WIHYFMWHYDEQAV-UHFFFAOYSA-N -2 3 267.672 1.737 10 0 CDAEHL COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C)cc1[O-] ZINC000643853917 361940283 /nfs/dbraw/zinc/94/02/83/361940283.db2.gz NSZFZIMSUQZZQY-OAHLLOKOSA-N -2 3 293.319 1.406 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CCCF)c(O)c1 ZINC000274936949 365862441 /nfs/dbraw/zinc/86/24/41/365862441.db2.gz QBYIDEGCPXNWHJ-UHFFFAOYSA-N -2 3 277.273 1.192 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CCCF)c([O-])c1 ZINC000274936949 365862445 /nfs/dbraw/zinc/86/24/45/365862445.db2.gz QBYIDEGCPXNWHJ-UHFFFAOYSA-N -3 3 277.273 1.192 10 0 CDAEHL COc1ccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000622000277 350925511 /nfs/dbraw/zinc/92/55/11/350925511.db2.gz DSAUJDXUZURZRQ-DTORHVGOSA-N -2 3 279.292 1.336 10 0 CDAEHL Cc1cnc(N)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000358594938 367802329 /nfs/dbraw/zinc/80/23/29/367802329.db2.gz RHGFUMIDLXDLDR-UHFFFAOYSA-N -2 3 297.311 1.618 10 0 CDAEHL N[C@H](c1ccc(Br)s1)P(=O)([O-])[O-] ZINC000307387250 372778179 /nfs/dbraw/zinc/77/81/79/372778179.db2.gz CBRQBYHJPXHEKG-YFKPBYRVSA-N -2 3 272.060 1.646 10 0 CDAEHL CCC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000036836890 398042835 /nfs/dbraw/zinc/04/28/35/398042835.db2.gz VEKZSVTWRDICRY-GFCCVEGCSA-N -2 3 288.303 1.511 10 0 CDAEHL COc1nc([N-]C(=O)c2ncsc2C(F)(F)F)n[n-]1 ZINC000350701374 154430910 /nfs/dbraw/zinc/43/09/10/154430910.db2.gz NBHLAJLVMGREHF-UHFFFAOYSA-N -2 3 293.230 1.541 10 0 CDAEHL COc1ccc([O-])c(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c1 ZINC000659209706 413610968 /nfs/dbraw/zinc/61/09/68/413610968.db2.gz PHKAONXOILGEDT-JTQLQIEISA-N -2 3 293.319 1.632 10 0 CDAEHL CCOC(=O)[N-]C(=O)COc1cccc(C(=O)[O-])c1 ZINC000037207768 173029381 /nfs/dbraw/zinc/02/93/81/173029381.db2.gz XGSOKRFZHUOZAZ-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CCOC([O-])=NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000037207768 173029383 /nfs/dbraw/zinc/02/93/83/173029383.db2.gz XGSOKRFZHUOZAZ-UHFFFAOYSA-N -2 3 267.237 1.036 10 0 CDAEHL CC(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000037310401 173112790 /nfs/dbraw/zinc/11/27/90/173112790.db2.gz SATCQRFUHYRAET-UHFFFAOYSA-N -2 3 295.719 1.864 10 0 CDAEHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc([O-])cc1 ZINC000038026295 174011625 /nfs/dbraw/zinc/01/16/25/174011625.db2.gz SPLNLCNFIXTZMR-LLVKDONJSA-N -2 3 263.293 1.862 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC[C@@H]2CCCO2)c([O-])c1 ZINC000040557542 174331860 /nfs/dbraw/zinc/33/18/60/174331860.db2.gz UGGRASWIPQBCSU-VIFPVBQESA-N -2 3 280.280 1.391 10 0 CDAEHL Cc1n[n-]cc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529704695 271017224 /nfs/dbraw/zinc/01/72/24/271017224.db2.gz QEQMQHZEIBLGKZ-UHFFFAOYSA-N -2 3 263.326 1.295 10 0 CDAEHL CC(C)S(=O)(=O)[N-]c1cccc(/C=C/C(=O)[O-])n1 ZINC000049593462 519787126 /nfs/dbraw/zinc/78/71/26/519787126.db2.gz ICTGMCLZFROWPB-VOTSOKGWSA-N -2 3 270.310 1.330 10 0 CDAEHL CC[C@@H](C(C)C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591961 521894361 /nfs/dbraw/zinc/89/43/61/521894361.db2.gz OEZFUHIJHMYJHS-ZETCQYMHSA-N -2 3 259.331 1.355 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1ccc(C(=O)[O-])cc1F ZINC000062767278 527021032 /nfs/dbraw/zinc/02/10/32/527021032.db2.gz LNKUFDFHDGOQIV-UHFFFAOYSA-N -2 3 283.284 1.238 10 0 CDAEHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cnncc1[O-] ZINC001636143051 1166654782 /nfs/dbraw/zinc/65/47/82/1166654782.db2.gz UBYVDVCRROOZRR-UHFFFAOYSA-N -2 3 283.646 1.933 10 0 CDAEHL O=C(Nc1c([O-])cccc1Cl)c1c[n-]ncc1=O ZINC001637677828 1166776866 /nfs/dbraw/zinc/77/68/66/1166776866.db2.gz NTODYHRDTKLYBW-UHFFFAOYSA-N -2 3 265.656 1.794 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)o1 ZINC000871998251 843374362 /nfs/dbraw/zinc/37/43/62/843374362.db2.gz VYELDAHHDYPEQN-YGOYTEALSA-N -2 3 285.321 1.120 10 0 CDAEHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000788445414 843899908 /nfs/dbraw/zinc/89/99/08/843899908.db2.gz FEZOBRZWWPYUNG-OWOJBTEDSA-N -2 3 295.238 1.023 10 0 CDAEHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C1(C(F)F)CC1 ZINC000697420615 907643262 /nfs/dbraw/zinc/64/32/62/907643262.db2.gz IIMMITZDNISBMX-UHFFFAOYSA-N -2 3 295.263 1.362 10 0 CDAEHL O=C(CCc1nn[n-]n1)Nc1cc(Cl)c([O-])cc1F ZINC001140285072 936698000 /nfs/dbraw/zinc/69/80/00/936698000.db2.gz KSJRZEAECONPDZ-UHFFFAOYSA-N -2 3 285.666 1.269 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1scnc1C1CC1 ZINC001418621817 960821029 /nfs/dbraw/zinc/82/10/29/960821029.db2.gz NBYPSWXCSFQRDO-UHFFFAOYSA-N -2 3 292.320 1.152 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc(F)c(F)c1F ZINC001470583070 970348872 /nfs/dbraw/zinc/34/88/72/970348872.db2.gz NHZADTFJTNCHIO-UHFFFAOYSA-N -2 3 299.208 1.235 10 0 CDAEHL O=C(NCc1ccc([O-])c(Cl)c1)c1c[n-]ncc1=O ZINC001471700501 970468707 /nfs/dbraw/zinc/46/87/07/970468707.db2.gz XUPXBTTWXGAPPF-UHFFFAOYSA-N -2 3 279.683 1.471 10 0 CDAEHL CCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124657671 187147821 /nfs/dbraw/zinc/14/78/21/187147821.db2.gz DJZPJTBOFOPPRX-UHFFFAOYSA-N -2 3 273.310 1.632 10 0 CDAEHL Cc1nc(-c2ccc([O-])c(Cl)c2)[n-]c(=O)c1CCO ZINC000085404074 179053925 /nfs/dbraw/zinc/05/39/25/179053925.db2.gz RAKYXSVEZWNOME-UHFFFAOYSA-N -2 3 280.711 1.639 10 0 CDAEHL O=C(CCCP(=O)([O-])[O-])Nc1cccc(F)c1 ZINC000584613205 346499393 /nfs/dbraw/zinc/49/93/93/346499393.db2.gz OSASGIJRXJSJJP-UHFFFAOYSA-N -2 3 261.189 1.722 10 0 CDAEHL Cc1ccc(C(=O)N[C@H](C)CCC(=O)[O-])c([O-])c1 ZINC000070309998 357718927 /nfs/dbraw/zinc/71/89/27/357718927.db2.gz YLWXENZNSUHPLW-SECBINFHSA-N -2 3 251.282 1.684 10 0 CDAEHL COc1cc(=NC(=O)c2ccc(Cl)cc2[O-])[n-]n1C ZINC000381715510 364992931 /nfs/dbraw/zinc/99/29/31/364992931.db2.gz HHHVHQWXDAPRCP-UHFFFAOYSA-N -2 3 281.699 1.462 10 0 CDAEHL CCn1nccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000545313378 369199422 /nfs/dbraw/zinc/19/94/22/369199422.db2.gz WVSDAKXPZAAVET-UHFFFAOYSA-N -2 3 285.300 1.549 10 0 CDAEHL Cc1cnc(C(=O)NCc2ncccc2[O-])c([O-])c1 ZINC000352518138 155245059 /nfs/dbraw/zinc/24/50/59/155245059.db2.gz VGNFJMLXLHRAHK-UHFFFAOYSA-N -2 3 259.265 1.126 10 0 CDAEHL CSCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000005662250 170124989 /nfs/dbraw/zinc/12/49/89/170124989.db2.gz PXUJXZNDNWIRBB-SECBINFHSA-N -2 3 285.321 1.034 10 0 CDAEHL CCOC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044414521 175172233 /nfs/dbraw/zinc/17/22/33/175172233.db2.gz BGKXQEMMJKMGIU-SSDOTTSWSA-N -2 3 293.366 1.150 10 0 CDAEHL Cc1sc(NC(=O)c2cnn[n-]2)c(C(=O)[O-])c1C ZINC000071215041 176086371 /nfs/dbraw/zinc/08/63/71/176086371.db2.gz BJFYSYTYTDWGPJ-UHFFFAOYSA-N -2 3 266.282 1.434 10 0 CDAEHL Cc1sc(NC(=O)c2c[n-]nn2)c(C(=O)[O-])c1C ZINC000071215041 176086372 /nfs/dbraw/zinc/08/63/72/176086372.db2.gz BJFYSYTYTDWGPJ-UHFFFAOYSA-N -2 3 266.282 1.434 10 0 CDAEHL Cc1sc(NC(=O)c2cn[n-]n2)c(C(=O)[O-])c1C ZINC000071215041 176086374 /nfs/dbraw/zinc/08/63/74/176086374.db2.gz BJFYSYTYTDWGPJ-UHFFFAOYSA-N -2 3 266.282 1.434 10 0 CDAEHL Cn1ccnc1CNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000071276754 176107286 /nfs/dbraw/zinc/10/72/86/176107286.db2.gz GYUYZRKOTSUNDZ-UHFFFAOYSA-N -2 3 290.279 1.146 10 0 CDAEHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000131375223 279673367 /nfs/dbraw/zinc/67/33/67/279673367.db2.gz QTVMBFGKSGZCQD-UHFFFAOYSA-N -2 3 285.300 1.672 10 0 CDAEHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000575872788 317030997 /nfs/dbraw/zinc/03/09/97/317030997.db2.gz ZALHWNSNOMOWQC-NSHDSACASA-N -2 3 275.326 1.367 10 0 CDAEHL C[C@H]1CCN(S(=O)(=O)[N-]c2c([O-])cccc2F)C1 ZINC000679184370 483295810 /nfs/dbraw/zinc/29/58/10/483295810.db2.gz LDWNQGRFDSAXAJ-QMMMGPOBSA-N -2 3 274.317 1.530 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])o1 ZINC000061593869 519919238 /nfs/dbraw/zinc/91/92/38/519919238.db2.gz ITCVKGDBPRZAMW-UHFFFAOYSA-N -2 3 269.282 1.595 10 0 CDAEHL COc1cc(F)ccc1[N-]S(=O)(=O)CCCC(=O)[O-] ZINC000049566522 522615040 /nfs/dbraw/zinc/61/50/40/522615040.db2.gz HWDKKVLAAKRDJQ-UHFFFAOYSA-N -2 3 291.300 1.441 10 0 CDAEHL CC[C@H](C(C)C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591962 523817692 /nfs/dbraw/zinc/81/76/92/523817692.db2.gz OEZFUHIJHMYJHS-SSDOTTSWSA-N -2 3 259.331 1.355 10 0 CDAEHL O=C([O-])c1cncc(NC(=O)c2ccc([O-])cc2)c1 ZINC000062946336 526405291 /nfs/dbraw/zinc/40/52/91/526405291.db2.gz IIPGVOFYKZLGRQ-UHFFFAOYSA-N -2 3 258.233 1.738 10 0 CDAEHL Cc1nc(Cc2cccs2)[n-]c(=O)c1CCC(=O)[O-] ZINC000052900877 526928680 /nfs/dbraw/zinc/92/86/80/526928680.db2.gz YTHRIKRUPMXJCE-UHFFFAOYSA-N -2 3 278.333 1.748 10 0 CDAEHL O=C([O-])[C@H](CCF)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000909048933 628490876 /nfs/dbraw/zinc/49/08/76/628490876.db2.gz PBYXJUILVAXOMH-VIFPVBQESA-N -2 3 288.250 1.143 10 0 CDAEHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)o2)c[n-]1 ZINC000585730170 342453587 /nfs/dbraw/zinc/45/35/87/342453587.db2.gz BFTNGBLTJXBZAX-UHFFFAOYSA-N -2 3 299.308 1.289 10 0 CDAEHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C)o2)[n-]1 ZINC000585730170 342453588 /nfs/dbraw/zinc/45/35/88/342453588.db2.gz BFTNGBLTJXBZAX-UHFFFAOYSA-N -2 3 299.308 1.289 10 0 CDAEHL C[C@@H]1[C@@H](C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000086072702 179225234 /nfs/dbraw/zinc/22/52/34/179225234.db2.gz WIWVRQNHALXDRS-YIZRAAEISA-N -2 3 287.337 1.691 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000274887551 371196020 /nfs/dbraw/zinc/19/60/20/371196020.db2.gz FGWSZYROGNUIPR-SSDOTTSWSA-N -2 3 291.300 1.301 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)o1 ZINC000650412621 397922266 /nfs/dbraw/zinc/92/22/66/397922266.db2.gz QRAWXZLQLFIABQ-SNVBAGLBSA-N -2 3 273.310 1.120 10 0 CDAEHL O=C(C=CCc1ccc(F)cc1)N=c1ccc([O-])n[n-]1 ZINC000361970353 159027148 /nfs/dbraw/zinc/02/71/48/159027148.db2.gz WLXFCIOQSUBBSE-UPHRSURJSA-N -2 3 273.267 1.785 10 0 CDAEHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cnc2n1CCC2 ZINC000361995140 159035133 /nfs/dbraw/zinc/03/51/33/159035133.db2.gz CPPYGEGXJDNSJX-UHFFFAOYSA-N -2 3 297.311 1.475 10 0 CDAEHL O=C([O-])C1(C(=O)NCc2ncccc2[O-])CCCCCC1 ZINC000663042415 413854477 /nfs/dbraw/zinc/85/44/77/413854477.db2.gz RTSWBBUFIHRXRJ-UHFFFAOYSA-N -2 3 292.335 1.829 10 0 CDAEHL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])[C@@H](C)CO1 ZINC000040578300 174343140 /nfs/dbraw/zinc/34/31/40/174343140.db2.gz WOMLYJLCKWRZRQ-DTWKUNHWSA-N -2 3 294.307 1.732 10 0 CDAEHL CN(C(=O)Nc1ccc(C(=O)[O-])cc1[O-])C1CCOCC1 ZINC000040589761 174346289 /nfs/dbraw/zinc/34/62/89/174346289.db2.gz YIRXKKFWNFOUAL-UHFFFAOYSA-N -2 3 294.307 1.733 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C)cc1[O-] ZINC000044612356 175217440 /nfs/dbraw/zinc/21/74/40/175217440.db2.gz BRBAGXCCAQGDDC-JTQLQIEISA-N -2 3 251.282 1.636 10 0 CDAEHL CCOc1cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)n[n-]1 ZINC000529695991 271013411 /nfs/dbraw/zinc/01/34/11/271013411.db2.gz FQFNUADHNPYLND-UHFFFAOYSA-N -2 3 293.352 1.386 10 0 CDAEHL CCOc1cc(C(=O)N=c2nc(C3(C)CC3)[n-]s2)[n-]n1 ZINC000529695991 271013415 /nfs/dbraw/zinc/01/34/15/271013415.db2.gz FQFNUADHNPYLND-UHFFFAOYSA-N -2 3 293.352 1.386 10 0 CDAEHL CC(C)c1cc(=O)[n-]c(N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000057329571 280566662 /nfs/dbraw/zinc/56/66/62/280566662.db2.gz CNYYJTRTYNQGHJ-SNVBAGLBSA-N -2 3 265.313 1.337 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000575179431 295094640 /nfs/dbraw/zinc/09/46/40/295094640.db2.gz BRQQLGLSHDARSY-QMMMGPOBSA-N -2 3 261.299 1.059 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCC(=O)c1ccc([O-])cc1 ZINC000061596172 519917930 /nfs/dbraw/zinc/91/79/30/519917930.db2.gz NKJQZMHYMXNQJL-UHFFFAOYSA-N -2 3 293.348 1.833 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767182 519918883 /nfs/dbraw/zinc/91/88/83/519918883.db2.gz NFIGROQTAOYLPI-IUCAKERBSA-N -2 3 285.369 1.888 10 0 CDAEHL CCN(C(=O)c1ccc2n[n-]nc2c1)[C@H](C)CC(=O)[O-] ZINC000061180244 520092370 /nfs/dbraw/zinc/09/23/70/520092370.db2.gz DHLBTSAQTLPPNH-MRVPVSSYSA-N -2 3 276.296 1.283 10 0 CDAEHL CC[C@H](C)[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591949 521825943 /nfs/dbraw/zinc/82/59/43/521825943.db2.gz NCKZMNDQHKRIFU-NKWVEPMBSA-N -2 3 259.331 1.355 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000903042083 625791479 /nfs/dbraw/zinc/79/14/79/625791479.db2.gz QDWXZMOPFMLEBQ-IQJOONFLSA-N -2 3 299.348 1.692 10 0 CDAEHL O=C([O-])C1(C(=O)NCc2ccc([O-])c(F)c2)CCOCC1 ZINC000909923298 628777124 /nfs/dbraw/zinc/77/71/24/628777124.db2.gz LPGZFCYSWCCMOL-UHFFFAOYSA-N -2 3 297.282 1.029 10 0 CDAEHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000310713055 710687058 /nfs/dbraw/zinc/68/70/58/710687058.db2.gz DOZROKYQHKLSPR-OWOJBTEDSA-N -2 3 293.703 1.398 10 0 CDAEHL CCC(=O)c1ccc([O-])c(NC(=O)c2cnncc2[O-])c1 ZINC001298478015 955190925 /nfs/dbraw/zinc/19/09/25/955190925.db2.gz DEIUUJVZFXQYLI-UHFFFAOYSA-N -2 3 287.275 1.733 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000122429065 342064645 /nfs/dbraw/zinc/06/46/45/342064645.db2.gz BZISTXLZMDXYJD-SSDOTTSWSA-N -2 3 275.326 1.691 10 0 CDAEHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cn1 ZINC000350901316 361403930 /nfs/dbraw/zinc/40/39/30/361403930.db2.gz ZNFPCVXZEIHAFE-UHFFFAOYSA-N -2 3 298.295 1.736 10 0 CDAEHL CC[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000271010257 364871552 /nfs/dbraw/zinc/87/15/52/364871552.db2.gz DKFGDNOTMVFIDT-MRVPVSSYSA-N -2 3 287.337 1.878 10 0 CDAEHL Cc1cnc(N)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000540214389 392749050 /nfs/dbraw/zinc/74/90/50/392749050.db2.gz ADQNCGYHPXPLFB-UHFFFAOYSA-N -2 3 297.311 1.618 10 0 CDAEHL CCc1c([O-])nc(N2CCc3ccccc32)[n-]c1=O ZINC000008575352 170341393 /nfs/dbraw/zinc/34/13/93/170341393.db2.gz WWAHIBLTJUPRKK-UHFFFAOYSA-N -2 3 257.293 1.732 10 0 CDAEHL CC[C@@H](C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022144725 171356152 /nfs/dbraw/zinc/35/61/52/171356152.db2.gz KWIKVOKDODELQZ-LDYMZIIASA-N -2 3 251.282 1.621 10 0 CDAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000656726018 413605674 /nfs/dbraw/zinc/60/56/74/413605674.db2.gz XSJDJJZZFSDOGC-SECBINFHSA-N -2 3 273.310 1.059 10 0 CDAEHL Cc1ccc(C(=O)N[C@@](C)(CCF)C(=O)[O-])c([O-])c1 ZINC000659216770 413613368 /nfs/dbraw/zinc/61/33/68/413613368.db2.gz SHOKXRYJAPTCIB-ZDUSSCGKSA-N -2 3 269.272 1.633 10 0 CDAEHL CCOC([O-])=NC(=O)COc1ccc(C(=O)[O-])cc1OC ZINC000037208082 173029757 /nfs/dbraw/zinc/02/97/57/173029757.db2.gz SJFXZUWDIGMAQK-UHFFFAOYSA-N -2 3 297.263 1.045 10 0 CDAEHL CCOC(=O)[N-]C(=O)COc1ccc(C(=O)[O-])cc1OC ZINC000037208082 173029759 /nfs/dbraw/zinc/02/97/59/173029759.db2.gz SJFXZUWDIGMAQK-UHFFFAOYSA-N -2 3 297.263 1.045 10 0 CDAEHL CCC[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483692 174287014 /nfs/dbraw/zinc/28/70/14/174287014.db2.gz DUBRBJDLRJHXML-SNVBAGLBSA-N -2 3 280.280 1.149 10 0 CDAEHL O=C([O-])[C@]1(NC(=O)c2ccc([O-])cc2)CCSC1 ZINC000043503547 175059517 /nfs/dbraw/zinc/05/95/17/175059517.db2.gz PCZQVKOTJXHNPX-LBPRGKRZSA-N -2 3 267.306 1.082 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3ccccc3)no2)n[n-]1 ZINC000158208635 274168556 /nfs/dbraw/zinc/16/85/56/274168556.db2.gz QRCVYUFTPOHCQF-UHFFFAOYSA-N -2 3 285.263 1.721 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])o1 ZINC000565056259 293510141 /nfs/dbraw/zinc/51/01/41/293510141.db2.gz WFVBZBPUGARJDI-SKDRFNHKSA-N -2 3 287.337 1.510 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])o1 ZINC000568276272 294007805 /nfs/dbraw/zinc/00/78/05/294007805.db2.gz AXQDAASGDOXFOZ-SECBINFHSA-N -2 3 289.353 1.900 10 0 CDAEHL C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000052276350 525331087 /nfs/dbraw/zinc/33/10/87/525331087.db2.gz QXOVGDDFPWJXEU-VDTYLAMSSA-N -2 3 291.275 1.350 10 0 CDAEHL Cc1[nH]c2ccccc2c1CC(=O)[N-]OCC(=O)[O-] ZINC000069054926 525443621 /nfs/dbraw/zinc/44/36/21/525443621.db2.gz JXVYINACFXOQNW-UHFFFAOYSA-N -2 3 262.265 1.151 10 0 CDAEHL O=C([O-])c1cnc(-c2ccc3ncccc3c2)[n-]c1=O ZINC000062802550 526402366 /nfs/dbraw/zinc/40/23/66/526402366.db2.gz PJAWJYRJHIRPLD-UHFFFAOYSA-N -2 3 267.244 1.683 10 0 CDAEHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)C(F)F ZINC000087672931 712298974 /nfs/dbraw/zinc/29/89/74/712298974.db2.gz RPEJSRWHGFVJHL-NKWVEPMBSA-N -2 3 273.301 1.408 10 0 CDAEHL O=C(CCCc1nnn[n-]1)Nc1cccc(F)c1[O-] ZINC001635724785 1166615121 /nfs/dbraw/zinc/61/51/21/1166615121.db2.gz BXDGQNYGFRWXML-UHFFFAOYSA-N -2 3 265.248 1.006 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1cccc(F)c1[O-] ZINC001635724785 1166615126 /nfs/dbraw/zinc/61/51/26/1166615126.db2.gz BXDGQNYGFRWXML-UHFFFAOYSA-N -2 3 265.248 1.006 10 0 CDAEHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000923140592 923562700 /nfs/dbraw/zinc/56/27/00/923562700.db2.gz YLIGDSSEISFOEN-XCBNKYQSSA-N -2 3 269.684 1.639 10 0 CDAEHL CN(C)c1ccc([N-]S(=O)(=O)C(F)F)c(C(=O)[O-])c1 ZINC000817420365 930531888 /nfs/dbraw/zinc/53/18/88/930531888.db2.gz SKALVVCDWJOUOC-UHFFFAOYSA-N -2 3 294.279 1.415 10 0 CDAEHL O=c1cc([O-])nc(-c2ccc(Br)s2)[n-]1 ZINC000082478245 178044872 /nfs/dbraw/zinc/04/48/72/178044872.db2.gz RPTKVSCGNWYFAY-UHFFFAOYSA-N -2 3 273.111 1.967 10 0 CDAEHL Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000085321251 179014881 /nfs/dbraw/zinc/01/48/81/179014881.db2.gz IQVJZRDMMVSUKL-MWLCHTKSSA-N -2 3 263.293 1.684 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000066583353 357571321 /nfs/dbraw/zinc/57/13/21/357571321.db2.gz QDWKNAOSPJQXGO-UHFFFAOYSA-N -2 3 275.301 1.922 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)CC(=O)[O-] ZINC000580996337 372776914 /nfs/dbraw/zinc/77/69/14/372776914.db2.gz CXRAUVKGUMLDNH-VIFPVBQESA-N -2 3 291.394 1.836 10 0 CDAEHL O=C(Nc1ncccc1[O-])c1cc(=O)c2ccccc2[n-]1 ZINC000344955317 377051251 /nfs/dbraw/zinc/05/12/51/377051251.db2.gz KWAMTUFPJFVGHJ-UHFFFAOYSA-N -2 3 281.271 1.881 10 0 CDAEHL COc1nc([N-]C(=O)c2csc(C(F)(F)F)n2)n[n-]1 ZINC000193736418 286555345 /nfs/dbraw/zinc/55/53/45/286555345.db2.gz RNIIFJWONKDLTC-UHFFFAOYSA-N -2 3 293.230 1.541 10 0 CDAEHL COc1ccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c([O-])c1 ZINC000663154262 414009918 /nfs/dbraw/zinc/00/99/18/414009918.db2.gz YKOQGXHZXCNQRZ-LBPRGKRZSA-N -2 3 293.319 1.632 10 0 CDAEHL COC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040535402 174319938 /nfs/dbraw/zinc/31/99/38/174319938.db2.gz ULZKXAIIPGDCTB-SSDOTTSWSA-N -2 3 268.269 1.247 10 0 CDAEHL CC(C)(C)c1ccc(NC(=O)c2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000554595880 290180996 /nfs/dbraw/zinc/18/09/96/290180996.db2.gz ADBREEPPDWYKCN-UHFFFAOYSA-N -2 3 276.296 1.766 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)[C@@H]2CCCCO2)c([O-])c1 ZINC000050959449 526376485 /nfs/dbraw/zinc/37/64/85/526376485.db2.gz JQMRQCKNZFEHBH-NSHDSACASA-N -2 3 265.265 1.598 10 0 CDAEHL O=C([O-])CC1(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000909898712 628750082 /nfs/dbraw/zinc/75/00/82/628750082.db2.gz LBBYEFSPGPOKDY-UHFFFAOYSA-N -2 3 295.310 1.978 10 0 CDAEHL Cc1cnc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c([O-])c1 ZINC001628215003 1166052307 /nfs/dbraw/zinc/05/23/07/1166052307.db2.gz JIAOHACOZYNMMP-UHFFFAOYSA-N -2 3 284.275 1.930 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c1 ZINC000629346353 361848160 /nfs/dbraw/zinc/84/81/60/361848160.db2.gz HQHLWDZCAUCFPX-JTQLQIEISA-N -2 3 299.348 1.836 10 0 CDAEHL C[C@@H]1CCCN(S(=O)(=O)[N-]c2c([O-])cccc2F)C1 ZINC000608004782 345506867 /nfs/dbraw/zinc/50/68/67/345506867.db2.gz SSYWOCPBMJQBGG-SECBINFHSA-N -2 3 288.344 1.920 10 0 CDAEHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000565056239 360839513 /nfs/dbraw/zinc/83/95/13/360839513.db2.gz NPHCEMLTDPDYNU-VIFPVBQESA-N -2 3 275.326 1.367 10 0 CDAEHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000566682955 370790966 /nfs/dbraw/zinc/79/09/66/370790966.db2.gz YEJLEGQIAVGTQW-QMMMGPOBSA-N -2 3 293.366 1.073 10 0 CDAEHL O=C(Nc1nnn[n-]1)c1cc2cc(Cl)sc2[n-]1 ZINC000362816186 369117849 /nfs/dbraw/zinc/11/78/49/369117849.db2.gz ZHVADYZNQYDQGF-UHFFFAOYSA-N -2 3 268.689 1.648 10 0 CDAEHL COc1nc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)n[n-]1 ZINC000442826232 378842313 /nfs/dbraw/zinc/84/23/13/378842313.db2.gz WTMGROYKSIOZPM-UHFFFAOYSA-N -2 3 298.686 1.433 10 0 CDAEHL COc1nnc(NC(=O)c2cc(Cl)c([O-])c(OC)c2)[n-]1 ZINC000442826232 378842320 /nfs/dbraw/zinc/84/23/20/378842320.db2.gz WTMGROYKSIOZPM-UHFFFAOYSA-N -2 3 298.686 1.433 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cc(Cl)c([O-])c(OC)c2)n1 ZINC000442826232 378842322 /nfs/dbraw/zinc/84/23/22/378842322.db2.gz WTMGROYKSIOZPM-UHFFFAOYSA-N -2 3 298.686 1.433 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C(C)C ZINC000647128733 390489392 /nfs/dbraw/zinc/48/93/92/390489392.db2.gz NGHFWRRJTSJPQF-LBPRGKRZSA-N -2 3 291.344 1.944 10 0 CDAEHL CC(C)c1n[n-]c(=NCc2nc(C(C)(C)C)n[n-]2)o1 ZINC000413414014 391026584 /nfs/dbraw/zinc/02/65/84/391026584.db2.gz MTFDVZLVCXVEPG-UHFFFAOYSA-N -2 3 264.333 1.643 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])C1CC1 ZINC000574157653 392530794 /nfs/dbraw/zinc/53/07/94/392530794.db2.gz HGAWYHPUFWELDZ-ZDUSSCGKSA-N -2 3 285.365 1.867 10 0 CDAEHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccco1)C1CC1 ZINC000656726019 413606935 /nfs/dbraw/zinc/60/69/35/413606935.db2.gz XSJDJJZZFSDOGC-VIFPVBQESA-N -2 3 273.310 1.059 10 0 CDAEHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccs1)C1CC1 ZINC000656722684 413608440 /nfs/dbraw/zinc/60/84/40/413608440.db2.gz AMMWWHJKWOTJSE-SECBINFHSA-N -2 3 289.378 1.527 10 0 CDAEHL CC[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CCO1 ZINC000040579556 174343450 /nfs/dbraw/zinc/34/34/50/174343450.db2.gz SYMHRSUMGYHDAJ-JTQLQIEISA-N -2 3 294.307 1.733 10 0 CDAEHL Cc1ccc2c(n1)[n-]cc(C(=O)Nc1ncccc1[O-])c2=O ZINC000181004708 323225699 /nfs/dbraw/zinc/22/56/99/323225699.db2.gz DOMIMUCIHRSAJI-UHFFFAOYSA-N -2 3 296.286 1.997 10 0 CDAEHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(C#N)ccc1[O-] ZINC000185260417 1159599680 /nfs/dbraw/zinc/59/96/80/1159599680.db2.gz BLGQPSAIVXOBRO-SECBINFHSA-N -2 3 281.337 1.405 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767217 523094315 /nfs/dbraw/zinc/09/43/15/523094315.db2.gz IVXNAFIPLJTQLU-YUMQZZPRSA-N -2 3 271.342 1.327 10 0 CDAEHL O=C(c1c([O-])cccc1F)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221471 621396007 /nfs/dbraw/zinc/39/60/07/621396007.db2.gz NZTURCCSHVJUMO-MRVPVSSYSA-N -2 3 291.282 1.590 10 0 CDAEHL Cc1ccsc1S(=O)(=O)[N-]CC(F)(F)C(=O)[O-] ZINC000905999029 627088335 /nfs/dbraw/zinc/08/83/35/627088335.db2.gz GZDYRQWTUXQTBG-UHFFFAOYSA-N -2 3 285.293 1.055 10 0 CDAEHL O=C(CC1CCC(C(=O)[O-])CC1)[N-]OC[C@@H]1CCOC1 ZINC000911802840 629532056 /nfs/dbraw/zinc/53/20/56/629532056.db2.gz LHSWKEZXRLQFIO-MOENNCHZSA-N -2 3 285.340 1.352 10 0 CDAEHL O=C(c1ccc(Cl)c([O-])c1)N1CC[C@H](c2nn[n-]n2)C1 ZINC001434314793 961153830 /nfs/dbraw/zinc/15/38/30/961153830.db2.gz NHNSYGIVHIYOJE-QMMMGPOBSA-N -2 3 293.714 1.188 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)cc1C(=O)[O-] ZINC000634654652 356644785 /nfs/dbraw/zinc/64/47/85/356644785.db2.gz PCGHCENPMBFUPK-ZANVPECISA-N -2 3 299.348 1.897 10 0 CDAEHL O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2c(c1[O-])CCCC2 ZINC000436969096 361625424 /nfs/dbraw/zinc/62/54/24/361625424.db2.gz YHGCUWIRYJWKDZ-UHFFFAOYSA-N -2 3 288.307 1.025 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1cc(F)ccc1[O-] ZINC000436996778 361635032 /nfs/dbraw/zinc/63/50/32/361635032.db2.gz CVRSICOVHQBERT-UHFFFAOYSA-N -2 3 262.240 1.562 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cncc([O-])c1 ZINC000352991865 364698006 /nfs/dbraw/zinc/69/80/06/364698006.db2.gz UMEKPCYFIKNITC-LLVKDONJSA-N -2 3 274.280 1.036 10 0 CDAEHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000576881890 317224503 /nfs/dbraw/zinc/22/45/03/317224503.db2.gz OWYVPLIKASAMJW-JTQLQIEISA-N -2 3 287.337 1.591 10 0 CDAEHL Cc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)c([O-])c1 ZINC000630340786 368743225 /nfs/dbraw/zinc/74/32/25/368743225.db2.gz OKVOIWBYIYFTJL-OAHLLOKOSA-N -2 3 293.319 1.312 10 0 CDAEHL O=C([O-])CCCCC(=O)NCc1ncccc1[O-] ZINC000655541499 412951678 /nfs/dbraw/zinc/95/16/78/412951678.db2.gz HUWQUPHIUCPZIU-UHFFFAOYSA-N -2 3 252.270 1.048 10 0 CDAEHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)C1CC1 ZINC000150266494 390959074 /nfs/dbraw/zinc/95/90/74/390959074.db2.gz DOZRAGZCAQVABA-UHFFFAOYSA-N -2 3 259.258 1.428 10 0 CDAEHL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CCO1 ZINC000040531593 174317646 /nfs/dbraw/zinc/31/76/46/174317646.db2.gz YBMHRUJFFXNSKZ-MRVPVSSYSA-N -2 3 280.280 1.343 10 0 CDAEHL CC[C@H]1COCCN1C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040590132 174346251 /nfs/dbraw/zinc/34/62/51/174346251.db2.gz IYOOJKHDCKWTRB-JTQLQIEISA-N -2 3 294.307 1.733 10 0 CDAEHL CN(CC1CC1)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040604859 174352814 /nfs/dbraw/zinc/35/28/14/174352814.db2.gz VOMQCDISXACDFE-UHFFFAOYSA-N -2 3 264.281 1.964 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(OC)c1[O-] ZINC000044612350 175217271 /nfs/dbraw/zinc/21/72/71/175217271.db2.gz OQKDDOBCLSSFOC-VIFPVBQESA-N -2 3 267.281 1.336 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CCCCF)c(O)c1 ZINC000554531873 290171596 /nfs/dbraw/zinc/17/15/96/290171596.db2.gz VWNNCPLERYSPFZ-UHFFFAOYSA-N -2 3 291.300 1.582 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])cc1F ZINC000061608425 521616128 /nfs/dbraw/zinc/61/61/28/521616128.db2.gz LFXOYOJYBIPVRU-UHFFFAOYSA-N -2 3 297.311 1.970 10 0 CDAEHL O=C([O-])c1ccc(SCC(=O)[N-]C(=O)c2ccco2)o1 ZINC000069334732 526382897 /nfs/dbraw/zinc/38/28/97/526382897.db2.gz KHPGAHUGEFYBFA-UHFFFAOYSA-N -2 3 295.272 1.620 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1(CC2CC2)CC1 ZINC000902988959 625731348 /nfs/dbraw/zinc/73/13/48/625731348.db2.gz WTAOPEUAXXLZPK-UHFFFAOYSA-N -2 3 299.348 1.836 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000871993238 677846646 /nfs/dbraw/zinc/84/66/46/677846646.db2.gz FADWRKADVKLDSU-MRVPVSSYSA-N -2 3 271.294 1.365 10 0 CDAEHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000310643822 679085332 /nfs/dbraw/zinc/08/53/32/679085332.db2.gz VDTMRSJWYVCVDN-DJWKRKHSSA-N -2 3 293.703 1.398 10 0 CDAEHL Cc1cc(C=O)c([O-])c(C(=O)Nc2ncccc2[O-])c1 ZINC001633851069 1166454518 /nfs/dbraw/zinc/45/45/18/1166454518.db2.gz BIYHUAZADLHFNC-UHFFFAOYSA-N -2 3 272.260 1.866 10 0 CDAEHL C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nn(C)cc1[O-] ZINC001363849140 953912020 /nfs/dbraw/zinc/91/20/20/953912020.db2.gz KPWBOPCWFJJXSI-QMMMGPOBSA-N -2 3 293.298 1.390 10 0 CDAEHL CC(=O)c1[n-]c(=NC[C@]2(C(=O)[O-])CCCOC2)sc1C ZINC000630463052 369005225 /nfs/dbraw/zinc/00/52/25/369005225.db2.gz ILKJGHXEKGLFOA-CYBMUJFWSA-N -2 3 298.364 1.369 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000265041798 190154226 /nfs/dbraw/zinc/15/42/26/190154226.db2.gz WRODQPGIULIHPA-SSDOTTSWSA-N -2 3 291.300 1.301 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)o1 ZINC000650408745 397914812 /nfs/dbraw/zinc/91/48/12/397914812.db2.gz HAVXERUCBZYNNO-SECBINFHSA-N -2 3 289.353 1.756 10 0 CDAEHL COC[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040535400 174319971 /nfs/dbraw/zinc/31/99/71/174319971.db2.gz ULZKXAIIPGDCTB-ZETCQYMHSA-N -2 3 268.269 1.247 10 0 CDAEHL Cn1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC000045139809 175315145 /nfs/dbraw/zinc/31/51/45/175315145.db2.gz WMOADJVWFFGJFG-UHFFFAOYSA-N -2 3 290.279 1.146 10 0 CDAEHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)C(F)F ZINC000070541316 175976887 /nfs/dbraw/zinc/97/68/87/175976887.db2.gz NAAUWEZWGVXZFI-UHFFFAOYSA-N -2 3 279.264 1.069 10 0 CDAEHL COc1nc([N-]C(=O)c2coc(-c3ccccc3)n2)n[n-]1 ZINC000182983110 278086496 /nfs/dbraw/zinc/08/64/96/278086496.db2.gz XLVCYTKDNNJZSZ-UHFFFAOYSA-N -2 3 285.263 1.721 10 0 CDAEHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000570790139 294307396 /nfs/dbraw/zinc/30/73/96/294307396.db2.gz AACSRWMJNMFYAE-KCJUWKMLSA-N -2 3 285.321 1.304 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000062767148 521615984 /nfs/dbraw/zinc/61/59/84/521615984.db2.gz HHRCYGPYBPLJJE-RKDXNWHRSA-N -2 3 285.369 1.717 10 0 CDAEHL CCn1c(=O)[n-]nc1SC[C@H](C(=O)[O-])c1ccccc1 ZINC000062767210 523093754 /nfs/dbraw/zinc/09/37/54/523093754.db2.gz HZPPUZHKAUZBRV-JTQLQIEISA-N -2 3 293.348 1.552 10 0 CDAEHL Cc1cccc(C)c1OCCC(=O)[N-]OCC(=O)[O-] ZINC000069055107 524310034 /nfs/dbraw/zinc/31/00/34/524310034.db2.gz DYRNYOFGWXOLNY-UHFFFAOYSA-N -2 3 267.281 1.205 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@H](CC(=O)[O-])c1ccccc1 ZINC000062767281 527022196 /nfs/dbraw/zinc/02/21/96/527022196.db2.gz JWYRPAWXBLIUMT-SECBINFHSA-N -2 3 279.321 1.417 10 0 CDAEHL O=C([O-])c1cc(=O)[n-]c(CCOCc2ccccc2)n1 ZINC000395506356 574455449 /nfs/dbraw/zinc/45/54/49/574455449.db2.gz AETKFEVGXCTCAM-UHFFFAOYSA-N -2 3 274.276 1.640 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)o1 ZINC000650427511 682283654 /nfs/dbraw/zinc/28/36/54/682283654.db2.gz LGGVAKVLHGNURN-QMMMGPOBSA-N -2 3 273.310 1.120 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(Cl)ncc1F ZINC001585950314 1172924578 /nfs/dbraw/zinc/92/45/78/1172924578.db2.gz OHQJPUIPOUNPQB-UHFFFAOYSA-N -2 3 298.661 1.005 10 0 CDAEHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OC1CCC1 ZINC001640954043 1167063320 /nfs/dbraw/zinc/06/33/20/1167063320.db2.gz WGPHKZXGFHMSEM-UHFFFAOYSA-N -2 3 269.326 1.426 10 0 CDAEHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnncc1[O-] ZINC001567895535 1169045698 /nfs/dbraw/zinc/04/56/98/1169045698.db2.gz XLUZBXWRCFKNOD-UHFFFAOYSA-N -2 3 283.646 1.933 10 0 CDAEHL CC(=O)c1ccc([O-])c(NC(=O)CCCc2nn[n-]n2)c1 ZINC001466523697 969969032 /nfs/dbraw/zinc/96/90/32/969969032.db2.gz KCKJTWVDRVMWTC-UHFFFAOYSA-N -2 3 289.295 1.069 10 0 CDAEHL CC(C)(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O ZINC000124643353 342065373 /nfs/dbraw/zinc/06/53/73/342065373.db2.gz IIUVDFOTWAZWPT-UHFFFAOYSA-N -2 3 287.337 1.878 10 0 CDAEHL N=c1[n-]nc(CNC(=O)c2cc([O-])c3ccccc3c2)o1 ZINC000354840512 539101544 /nfs/dbraw/zinc/10/15/44/539101544.db2.gz MSRROKBKEBIHSI-UHFFFAOYSA-N -2 3 284.275 1.271 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CCCF)c(F)c1 ZINC000274957682 365870278 /nfs/dbraw/zinc/87/02/78/365870278.db2.gz UMXILXXRILDZGK-UHFFFAOYSA-N -2 3 279.264 1.625 10 0 CDAEHL O=c1cc(/C=C/c2c(F)ccc([O-])c2F)nc2nc[n-]n21 ZINC000436935713 361612813 /nfs/dbraw/zinc/61/28/13/361612813.db2.gz XDYYJUAIGHWTRU-OWOJBTEDSA-N -2 3 290.229 1.572 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[O-])C1CC1 ZINC000578625966 372521123 /nfs/dbraw/zinc/52/11/23/372521123.db2.gz WKEAOGUJNLXHDH-LBPRGKRZSA-N -2 3 271.338 1.559 10 0 CDAEHL C[C@@H]1CCN(C(=O)CCc2nnn[n-]2)c2c([O-])cccc21 ZINC000632506943 377543088 /nfs/dbraw/zinc/54/30/88/377543088.db2.gz NKLDISKPEQVIOG-SECBINFHSA-N -2 3 287.323 1.378 10 0 CDAEHL C[C@@H]1CCN(C(=O)CCc2nn[n-]n2)c2c([O-])cccc21 ZINC000632506943 377543096 /nfs/dbraw/zinc/54/30/96/377543096.db2.gz NKLDISKPEQVIOG-SECBINFHSA-N -2 3 287.323 1.378 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)c1ccccc1N1CCCCC1 ZINC000343710375 152273845 /nfs/dbraw/zinc/27/38/45/152273845.db2.gz LHIPSJCLAIALBZ-UHFFFAOYSA-N -2 3 298.346 1.847 10 0 CDAEHL CCOC([O-])=NC(=O)CSc1ccccc1C(=O)[O-] ZINC000037414659 173191962 /nfs/dbraw/zinc/19/19/62/173191962.db2.gz SQKTWMJMZHKTRD-UHFFFAOYSA-N -2 3 283.305 1.750 10 0 CDAEHL CCOC(=O)[N-]C(=O)CSc1ccccc1C(=O)[O-] ZINC000037414659 173191964 /nfs/dbraw/zinc/19/19/64/173191964.db2.gz SQKTWMJMZHKTRD-UHFFFAOYSA-N -2 3 283.305 1.750 10 0 CDAEHL O=C([O-])CCCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662227268 414573569 /nfs/dbraw/zinc/57/35/69/414573569.db2.gz RUMNMMMVDDFMTC-CYBMUJFWSA-N -2 3 277.320 1.925 10 0 CDAEHL CC[C@H](C)[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483682 174286896 /nfs/dbraw/zinc/28/68/96/174286896.db2.gz VDEQUFPTURDOFQ-CPCISQLKSA-N -2 3 294.307 1.395 10 0 CDAEHL CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000045134978 175313057 /nfs/dbraw/zinc/31/30/57/175313057.db2.gz FNVTVZJEFXICNG-ZETCQYMHSA-N -2 3 275.351 1.523 10 0 CDAEHL Cc1nc(C(=O)[N-]c2sc3c(c2C(=O)[O-])CCC3)no1 ZINC000071382339 176146150 /nfs/dbraw/zinc/14/61/50/176146150.db2.gz JIYRENRWTRMAGD-UHFFFAOYSA-N -2 3 293.304 1.879 10 0 CDAEHL COc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)n[n-]1 ZINC000352675169 278085536 /nfs/dbraw/zinc/08/55/36/278085536.db2.gz ABGIWAYRAXCPHX-UHFFFAOYSA-N -2 3 286.251 1.116 10 0 CDAEHL O=C([O-])c1cnc(C=Cc2cccc3nccn32)[n-]c1=O ZINC000670370008 482844554 /nfs/dbraw/zinc/84/45/54/482844554.db2.gz QCACFWICTQWLMT-SNAWJCMRSA-N -2 3 282.259 1.699 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H](CC(=O)[O-])C(F)(F)F ZINC000062767174 519918799 /nfs/dbraw/zinc/91/87/99/519918799.db2.gz IFWGLDOULLOGIG-RXMQYKEDSA-N -2 3 299.274 1.650 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1ccnc(C(=O)[O-])c1 ZINC000061593865 519919229 /nfs/dbraw/zinc/91/92/29/519919229.db2.gz VSELNHMOJGTFEM-UHFFFAOYSA-N -2 3 280.309 1.397 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1nc(C)ccc1C(=O)[O-] ZINC000061608396 523096519 /nfs/dbraw/zinc/09/65/19/523096519.db2.gz RIXSSAZTJMPPHG-UHFFFAOYSA-N -2 3 280.309 1.144 10 0 CDAEHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000052276315 525498609 /nfs/dbraw/zinc/49/86/09/525498609.db2.gz YWLZCWWXOARTII-HTRCEHHLSA-N -2 3 275.351 1.062 10 0 CDAEHL O=C([O-])[C@H](CNC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000061608448 526303313 /nfs/dbraw/zinc/30/33/13/526303313.db2.gz FFUHJQDXYYCKBS-CQSZACIVSA-N -2 3 285.299 1.990 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1ccc(Cl)c(C(=O)[O-])n1 ZINC000061592255 527021980 /nfs/dbraw/zinc/02/19/80/527021980.db2.gz QEPZDOYMXQWVNK-UHFFFAOYSA-N -2 3 286.700 1.006 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCOc1ccccc1Cl ZINC000069054905 527615304 /nfs/dbraw/zinc/61/53/04/527615304.db2.gz CFNJXRYOZQMXNS-UHFFFAOYSA-N -2 3 273.672 1.241 10 0 CDAEHL C[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000849366120 685441420 /nfs/dbraw/zinc/44/14/20/685441420.db2.gz LKUWQOLWAASUOZ-KWQFWETISA-N -2 3 278.308 1.157 10 0 CDAEHL C[C@H](CC(C)(C)[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000817420036 687652961 /nfs/dbraw/zinc/65/29/61/687652961.db2.gz KHDZJZMOFPPGSG-RXMQYKEDSA-N -2 3 259.274 1.018 10 0 CDAEHL CSc1nc([N-]C(=O)c2nnc(C3CC3)o2)n[n-]1 ZINC001542490159 967230386 /nfs/dbraw/zinc/23/03/86/967230386.db2.gz FITQVQRLHLPGCU-UHFFFAOYSA-N -2 3 266.286 1.039 10 0 CDAEHL O=C([N-]Oc1ccc(F)cc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001469938634 970281001 /nfs/dbraw/zinc/28/10/01/970281001.db2.gz YGOFGPSQGHKMGJ-UHFFFAOYSA-N -2 3 289.266 1.923 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CC[C@@H](C(F)(F)F)C1 ZINC000343735762 539078098 /nfs/dbraw/zinc/07/80/98/539078098.db2.gz RANYWIAGWNYRAJ-NKWVEPMBSA-N -2 3 275.230 1.521 10 0 CDAEHL COc1nnc(NC(=O)c2cc(F)c(F)c([O-])c2F)[n-]1 ZINC000158927456 362273368 /nfs/dbraw/zinc/27/33/68/362273368.db2.gz ZVEKFTRXRHWRLH-UHFFFAOYSA-N -2 3 288.185 1.189 10 0 CDAEHL COc1nc(NC(=O)c2cc(F)c(F)c([O-])c2F)n[n-]1 ZINC000158927456 362273374 /nfs/dbraw/zinc/27/33/74/362273374.db2.gz ZVEKFTRXRHWRLH-UHFFFAOYSA-N -2 3 288.185 1.189 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC000158927456 362273378 /nfs/dbraw/zinc/27/33/78/362273378.db2.gz ZVEKFTRXRHWRLH-UHFFFAOYSA-N -2 3 288.185 1.189 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c1 ZINC000147296575 362417891 /nfs/dbraw/zinc/41/78/91/362417891.db2.gz KTFGLRPICYDOOJ-VIFPVBQESA-N -2 3 289.328 1.523 10 0 CDAEHL O=C1[N-]C(=S)N=C([O-])C1C12CC3CC(CC(C3)C1)C2 ZINC000001504957 348970720 /nfs/dbraw/zinc/97/07/20/348970720.db2.gz SSKUKZUIPXXXSM-UHFFFAOYSA-N -2 3 278.377 1.350 10 0 CDAEHL O=c1cc(C[C@@H]2CCCO2)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000634587325 356467766 /nfs/dbraw/zinc/46/77/66/356467766.db2.gz LDBORKKBJUDDDN-QMMMGPOBSA-N -2 3 296.714 1.497 10 0 CDAEHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000567270880 370940452 /nfs/dbraw/zinc/94/04/52/370940452.db2.gz SFWCVYLABQGHPK-SECBINFHSA-N -2 3 291.394 1.916 10 0 CDAEHL C[C@H](Cn1ncc2ccccc21)C(=O)N=c1ccc([O-])n[n-]1 ZINC000341680853 373865609 /nfs/dbraw/zinc/86/56/09/373865609.db2.gz GDRHFMVHZHLRHS-SNVBAGLBSA-N -2 3 297.318 1.229 10 0 CDAEHL O=S(=O)([N-][C@H]1CCCC1(F)F)c1cc([O-])cc(F)c1 ZINC000632338301 377310374 /nfs/dbraw/zinc/31/03/74/377310374.db2.gz CWMBWMOJNKQOBV-JTQLQIEISA-N -2 3 295.282 1.997 10 0 CDAEHL CCCS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000150270011 390959004 /nfs/dbraw/zinc/95/90/04/390959004.db2.gz DJBCXUOGSLOIRG-UHFFFAOYSA-N -2 3 261.274 1.676 10 0 CDAEHL COc1nnc(NC(=O)c2cc(F)c([O-])c(F)c2)[n-]1 ZINC000186983648 391636951 /nfs/dbraw/zinc/63/69/51/391636951.db2.gz FPVKLXDQLUDJEB-UHFFFAOYSA-N -2 3 270.195 1.049 10 0 CDAEHL COc1nc(NC(=O)c2cc(F)c([O-])c(F)c2)n[n-]1 ZINC000186983648 391636956 /nfs/dbraw/zinc/63/69/56/391636956.db2.gz FPVKLXDQLUDJEB-UHFFFAOYSA-N -2 3 270.195 1.049 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000186983648 391636959 /nfs/dbraw/zinc/63/69/59/391636959.db2.gz FPVKLXDQLUDJEB-UHFFFAOYSA-N -2 3 270.195 1.049 10 0 CDAEHL C[C@H](Cc1ccccc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000343737735 152284657 /nfs/dbraw/zinc/28/46/57/152284657.db2.gz RRICTTCZMJEKOA-SNVBAGLBSA-N -2 3 257.293 1.421 10 0 CDAEHL CC[C@@H](C)[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000021959079 171342364 /nfs/dbraw/zinc/34/23/64/171342364.db2.gz HWPMXBDSDKMBHS-LDYMZIIASA-N -2 3 251.282 1.621 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)oc1C(=O)[O-] ZINC000663428198 414250966 /nfs/dbraw/zinc/25/09/66/414250966.db2.gz OPWOMIQQHAYDIC-OPRDCNLKSA-N -2 3 299.348 1.753 10 0 CDAEHL C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nnn[n-]1 ZINC000044885781 175270333 /nfs/dbraw/zinc/27/03/33/175270333.db2.gz RLYLHZMCENCNJY-MRVPVSSYSA-N -2 3 283.291 1.550 10 0 CDAEHL C[C@@H](NC(=O)c1ccc2ccccc2c1[O-])c1nn[n-]n1 ZINC000044885781 175270334 /nfs/dbraw/zinc/27/03/34/175270334.db2.gz RLYLHZMCENCNJY-MRVPVSSYSA-N -2 3 283.291 1.550 10 0 CDAEHL Cc1c2nc(C(=O)[O-])nc-2[n-]cc1Br ZINC000071257597 301022375 /nfs/dbraw/zinc/02/23/75/301022375.db2.gz DLVJCEVHEFWMOS-UHFFFAOYSA-N -2 3 256.059 1.727 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(OC)ccc1[O-] ZINC000061215837 521244484 /nfs/dbraw/zinc/24/44/84/521244484.db2.gz OBBCQXKYBJVNIR-VIFPVBQESA-N -2 3 281.308 1.584 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H](C(=O)[O-])C(C)C ZINC000061593688 521615506 /nfs/dbraw/zinc/61/55/06/521615506.db2.gz RYDKCPGUGVOEBG-SSDOTTSWSA-N -2 3 259.331 1.183 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccc(C)cc1C(=O)[O-] ZINC000061593823 523097451 /nfs/dbraw/zinc/09/74/51/523097451.db2.gz YHQJVOJVTGVVKJ-UHFFFAOYSA-N -2 3 279.321 1.749 10 0 CDAEHL COc1ccc(CCC(=O)[N-]OCC(=O)[O-])cc1Cl ZINC000069054914 523924084 /nfs/dbraw/zinc/92/40/84/523924084.db2.gz MCBSINOPIADNOH-UHFFFAOYSA-N -2 3 287.699 1.414 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000062767299 527021468 /nfs/dbraw/zinc/02/14/68/527021468.db2.gz JFBKVTRWICZGFG-YUMQZZPRSA-N -2 3 271.342 1.234 10 0 CDAEHL Cc1nc(C=Cc2nccs2)[n-]c(=O)c1CC(=O)[O-] ZINC000794715639 619434258 /nfs/dbraw/zinc/43/42/58/619434258.db2.gz XXHJQCJSGRXVTD-NSCUHMNNSA-N -2 3 277.305 1.745 10 0 CDAEHL COc1nc([N-]C(=O)c2conc2C(F)(F)F)n[n-]1 ZINC000831561581 694873309 /nfs/dbraw/zinc/87/33/09/694873309.db2.gz OVNXZTZGRXHMRM-UHFFFAOYSA-N -2 3 277.162 1.072 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc2c(o1)CCCC2 ZINC001413340754 935993324 /nfs/dbraw/zinc/99/33/24/935993324.db2.gz HRQORENDGGBPDA-UHFFFAOYSA-N -2 3 289.291 1.290 10 0 CDAEHL O=C(NCc1cc(=O)[n-]c(=S)[nH]1)c1ccc([O-])c(F)c1 ZINC001300197928 967696655 /nfs/dbraw/zinc/69/66/55/967696655.db2.gz KNIZARQIDZNCBY-UHFFFAOYSA-N -2 3 295.295 1.246 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CCC1)c1c([O-])cccc1Cl ZINC001455348934 968686225 /nfs/dbraw/zinc/68/62/25/968686225.db2.gz IPXIJGRYJXIGFL-UHFFFAOYSA-N -2 3 293.714 1.368 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CCC1)c1c([O-])cccc1Cl ZINC001455348934 968686234 /nfs/dbraw/zinc/68/62/34/968686234.db2.gz IPXIJGRYJXIGFL-UHFFFAOYSA-N -2 3 293.714 1.368 10 0 CDAEHL O=c1cc(CCc2ccc(C(F)(F)F)cc2)[n-]nc1[O-] ZINC000095592350 185014403 /nfs/dbraw/zinc/01/44/03/185014403.db2.gz QBQMUMMSYHUDFM-UHFFFAOYSA-N -2 3 284.237 1.867 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)(C)C ZINC000122441467 342064665 /nfs/dbraw/zinc/06/46/65/342064665.db2.gz ZGYJYWAEBIMQJT-ZCFIWIBFSA-N -2 3 292.382 1.554 10 0 CDAEHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCC2 ZINC000634587389 356468133 /nfs/dbraw/zinc/46/81/33/356468133.db2.gz MXICANGDIRZAHV-YFKPBYRVSA-N -2 3 252.661 1.338 10 0 CDAEHL O=C([O-])c1c(-c2ccccc2)noc1-c1cnn[n-]1 ZINC000261361174 190039074 /nfs/dbraw/zinc/03/90/74/190039074.db2.gz UOPYOQYYGNRSML-UHFFFAOYSA-N -2 3 256.221 1.825 10 0 CDAEHL O=C([O-])c1c(-c2ccccc2)noc1-c1cn[n-]n1 ZINC000261361174 190039075 /nfs/dbraw/zinc/03/90/75/190039075.db2.gz UOPYOQYYGNRSML-UHFFFAOYSA-N -2 3 256.221 1.825 10 0 CDAEHL COc1ccc([O-])c(C(=O)N[C@@H](C)CCC(=O)[O-])c1 ZINC000070310347 379370623 /nfs/dbraw/zinc/37/06/23/379370623.db2.gz UANDQXDQUZFMKM-QMMMGPOBSA-N -2 3 267.281 1.384 10 0 CDAEHL CCc1ccc(C(=O)Nc2n[n-]c(OC)n2)c([O-])c1 ZINC000188948152 391525757 /nfs/dbraw/zinc/52/57/57/391525757.db2.gz RWOKZWIXTFPOIN-UHFFFAOYSA-N -2 3 262.269 1.334 10 0 CDAEHL CCc1ccc(C(=O)Nc2nnc(OC)[n-]2)c([O-])c1 ZINC000188948152 391525760 /nfs/dbraw/zinc/52/57/60/391525760.db2.gz RWOKZWIXTFPOIN-UHFFFAOYSA-N -2 3 262.269 1.334 10 0 CDAEHL CC1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000020593307 171262898 /nfs/dbraw/zinc/26/28/98/171262898.db2.gz BAOZQTPBFIDBST-UHFFFAOYSA-N -2 3 287.337 1.835 10 0 CDAEHL CCC[C@](C)(NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000036339483 172623800 /nfs/dbraw/zinc/62/38/00/172623800.db2.gz TVMKRNBQQBPDMV-ZDUSSCGKSA-N -2 3 251.282 1.765 10 0 CDAEHL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CCO1 ZINC000040531594 174317576 /nfs/dbraw/zinc/31/75/76/174317576.db2.gz YBMHRUJFFXNSKZ-QMMMGPOBSA-N -2 3 280.280 1.343 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000582726168 325031736 /nfs/dbraw/zinc/03/17/36/325031736.db2.gz PRBVNJZBHVYNKT-ZYHUDNBSSA-N -2 3 277.320 1.883 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCCCCC(=O)[O-] ZINC000061593726 519917959 /nfs/dbraw/zinc/91/79/59/519917959.db2.gz WQYZENKSEURRHO-UHFFFAOYSA-N -2 3 259.331 1.499 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000061214846 521197499 /nfs/dbraw/zinc/19/74/99/521197499.db2.gz YFOPBAJVWQUFLX-MRVPVSSYSA-N -2 3 267.281 1.281 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1cc(C)ccc1C(=O)[O-] ZINC000061608397 523097147 /nfs/dbraw/zinc/09/71/47/523097147.db2.gz KTOKJDJSFNOJOD-UHFFFAOYSA-N -2 3 279.321 1.749 10 0 CDAEHL Cc1csc(Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)n1 ZINC000055269585 526368602 /nfs/dbraw/zinc/36/86/02/526368602.db2.gz PNHSCXNNCWEOGS-UHFFFAOYSA-N -2 3 293.348 1.451 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)[C@@H]2CCCOC2)c([O-])c1 ZINC000054768553 526376761 /nfs/dbraw/zinc/37/67/61/526376761.db2.gz NFCFYFPKSKXXGV-SECBINFHSA-N -2 3 265.265 1.456 10 0 CDAEHL CC[C@@H](C)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995351 695854586 /nfs/dbraw/zinc/85/45/86/695854586.db2.gz TYCVRZJAXLKWGU-MRVPVSSYSA-N -2 3 275.326 1.692 10 0 CDAEHL O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1nnn[n-]1 ZINC000720628554 695858616 /nfs/dbraw/zinc/85/86/16/695858616.db2.gz PKUCFFZLTRYINW-JTQLQIEISA-N -2 3 277.259 1.022 10 0 CDAEHL O=C(c1ccc([O-])cc1F)N1CCC[C@H]1c1nn[n-]n1 ZINC000720628554 695858618 /nfs/dbraw/zinc/85/86/18/695858618.db2.gz PKUCFFZLTRYINW-JTQLQIEISA-N -2 3 277.259 1.022 10 0 CDAEHL CC(C)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993111 723695818 /nfs/dbraw/zinc/69/58/18/723695818.db2.gz KJUUDWJUOXUKQX-UHFFFAOYSA-N -2 3 261.299 1.302 10 0 CDAEHL CC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871993395 1165371088 /nfs/dbraw/zinc/37/10/88/1165371088.db2.gz JHLDQIXSNZIRTJ-UHFFFAOYSA-N -2 3 259.283 1.056 10 0 CDAEHL O=C(CCc1nnn[n-]1)Nc1cc(F)c([O-])cc1Cl ZINC001179660444 915916055 /nfs/dbraw/zinc/91/60/55/915916055.db2.gz RVBGFHAMQDYFOM-UHFFFAOYSA-N -2 3 285.666 1.269 10 0 CDAEHL O=C(CCc1nn[n-]n1)Nc1cc(F)c([O-])cc1Cl ZINC001179660444 915916072 /nfs/dbraw/zinc/91/60/72/915916072.db2.gz RVBGFHAMQDYFOM-UHFFFAOYSA-N -2 3 285.666 1.269 10 0 CDAEHL O=c1cc(/C=C\c2cc(F)c([O-])c(F)c2)nc2nc[n-]n21 ZINC000436933421 361612721 /nfs/dbraw/zinc/61/27/21/361612721.db2.gz QDZSXFFXDKSIKN-UPHRSURJSA-N -2 3 290.229 1.572 10 0 CDAEHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)CC1 ZINC000630434277 368945394 /nfs/dbraw/zinc/94/53/94/368945394.db2.gz NHGYJCFMXHGQLG-KYZUINATSA-N -2 3 273.310 1.201 10 0 CDAEHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000573091125 371419029 /nfs/dbraw/zinc/41/90/29/371419029.db2.gz VVMIZYHWKIIXLU-SECBINFHSA-N -2 3 275.326 1.447 10 0 CDAEHL O=C([O-])[C@@H](O)c1c([O-])c(OC(F)(F)F)ccc1F ZINC000575704939 373968793 /nfs/dbraw/zinc/96/87/93/373968793.db2.gz RQKYYNQKXYOCFC-ZETCQYMHSA-N -2 3 270.134 1.548 10 0 CDAEHL CC(C)Oc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1 ZINC000039291387 374274913 /nfs/dbraw/zinc/27/49/13/374274913.db2.gz BXQHTVRZNJXKFX-UHFFFAOYSA-N -2 3 298.306 1.404 10 0 CDAEHL CC(C)Oc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1 ZINC000039291387 374274920 /nfs/dbraw/zinc/27/49/20/374274920.db2.gz BXQHTVRZNJXKFX-UHFFFAOYSA-N -2 3 298.306 1.404 10 0 CDAEHL Cc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC000656476880 413341919 /nfs/dbraw/zinc/34/19/19/413341919.db2.gz FCWILLSQQZPUGU-AWEZNQCLSA-N -2 3 279.292 1.521 10 0 CDAEHL O=C([O-])CSc1nnc([N-]c2cccnc2)s1 ZINC000020582546 171257668 /nfs/dbraw/zinc/25/76/68/171257668.db2.gz COHSZROZAYURTE-UHFFFAOYSA-N -2 3 268.323 1.853 10 0 CDAEHL O=C([O-])[C@@H](CNC(=O)NCc1ncccc1[O-])C1CCC1 ZINC000665320623 414064931 /nfs/dbraw/zinc/06/49/31/414064931.db2.gz QIFQEHTVJWQNLR-JTQLQIEISA-N -2 3 293.323 1.087 10 0 CDAEHL CC[C@H](C)[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483684 174287137 /nfs/dbraw/zinc/28/71/37/174287137.db2.gz VDEQUFPTURDOFQ-WRWORJQWSA-N -2 3 294.307 1.395 10 0 CDAEHL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000040530820 174316692 /nfs/dbraw/zinc/31/66/92/174316692.db2.gz XQYSRPRMDYEOJD-DTORHVGOSA-N -2 3 294.307 1.732 10 0 CDAEHL CC[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CCO1 ZINC000040579555 174343420 /nfs/dbraw/zinc/34/34/20/174343420.db2.gz SYMHRSUMGYHDAJ-SNVBAGLBSA-N -2 3 294.307 1.733 10 0 CDAEHL O=C([O-])c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)o1 ZINC000071380318 176145011 /nfs/dbraw/zinc/14/50/11/176145011.db2.gz FSZSPCMGXWCTEV-UHFFFAOYSA-N -2 3 286.243 1.474 10 0 CDAEHL Nc1c(N)c(S(=O)(=O)c2ccc([O-])cc2)ccc1[O-] ZINC000003200341 295347023 /nfs/dbraw/zinc/34/70/23/295347023.db2.gz JJROGHKPQYJMNC-UHFFFAOYSA-N -2 3 280.305 1.095 10 0 CDAEHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000576884032 317225521 /nfs/dbraw/zinc/22/55/21/317225521.db2.gz QVZCXRKVOJYJLW-CABZTGNLSA-N -2 3 299.348 1.233 10 0 CDAEHL CCCn1c(=O)[n-]nc1SCc1cccnc1C(=O)[O-] ZINC000062767162 521614397 /nfs/dbraw/zinc/61/43/97/521614397.db2.gz KTRVLECDZDIAEZ-UHFFFAOYSA-N -2 3 294.336 1.367 10 0 CDAEHL C[C@@H]1CCC[C@H](n2c(=O)[n-]nc2SCC(=O)[O-])C1 ZINC000061591734 524412776 /nfs/dbraw/zinc/41/27/76/524412776.db2.gz PKBKIVZZEVGUTK-SFYZADRCSA-N -2 3 271.342 1.499 10 0 CDAEHL C[C@H]1C[C@H]1NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000052297343 524959145 /nfs/dbraw/zinc/95/91/45/524959145.db2.gz MTIGFRNUMAJPEL-IMTBSYHQSA-N -2 3 250.254 1.620 10 0 CDAEHL Cc1nc(Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cs1 ZINC000055296394 526928647 /nfs/dbraw/zinc/92/86/47/526928647.db2.gz DPZGLQBPYHUYOR-UHFFFAOYSA-N -2 3 279.321 1.061 10 0 CDAEHL O=C(CC1CCC(C(=O)[O-])CC1)[N-]OCc1cccnc1 ZINC000911806218 629537041 /nfs/dbraw/zinc/53/70/41/629537041.db2.gz OQDIVYGUNKNPOE-UHFFFAOYSA-N -2 3 292.335 1.911 10 0 CDAEHL C[C@@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000849366119 728377303 /nfs/dbraw/zinc/37/73/03/728377303.db2.gz LKUWQOLWAASUOZ-KCJUWKMLSA-N -2 3 278.308 1.157 10 0 CDAEHL CCCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000844085899 931536327 /nfs/dbraw/zinc/53/63/27/931536327.db2.gz SNNWQDUFYKXEDR-LBPRGKRZSA-N -2 3 292.335 1.455 10 0 CDAEHL CC(=O)N(CCCP(=O)([O-])[O-])OCc1ccccc1 ZINC000216442395 342215654 /nfs/dbraw/zinc/21/56/54/342215654.db2.gz LSWQRNJXEQARPK-UHFFFAOYSA-N -2 3 287.252 1.535 10 0 CDAEHL C[C@@H](CC(=O)[O-])NC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000455753435 363460201 /nfs/dbraw/zinc/46/02/01/363460201.db2.gz MXJYSIIXATUMLH-VIFPVBQESA-N -2 3 277.320 1.864 10 0 CDAEHL Nc1cc([O-])c(I)c(CC(=O)[O-])c1 ZINC000575718886 357335582 /nfs/dbraw/zinc/33/55/82/357335582.db2.gz JLLVVQUXFZAMGU-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000567270881 370940625 /nfs/dbraw/zinc/94/06/25/370940625.db2.gz SFWCVYLABQGHPK-VIFPVBQESA-N -2 3 291.394 1.916 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c1 ZINC000527208621 391003176 /nfs/dbraw/zinc/00/31/76/391003176.db2.gz ACMNQROHMKRSQZ-CYBMUJFWSA-N -2 3 287.319 1.949 10 0 CDAEHL COc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000647748201 391896965 /nfs/dbraw/zinc/89/69/65/391896965.db2.gz SVVFYJHADUMSAB-KOLCDFICSA-N -2 3 293.319 1.584 10 0 CDAEHL COc1nc([N-]C(=O)c2cnc([C@@H]3CCCO3)s2)n[n-]1 ZINC000352648465 155323278 /nfs/dbraw/zinc/32/32/78/155323278.db2.gz ULVJNANRTLQHDP-LURJTMIESA-N -2 3 295.324 1.374 10 0 CDAEHL COc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663154324 414008903 /nfs/dbraw/zinc/00/89/03/414008903.db2.gz ZSQIHFWLBOSPCZ-LBPRGKRZSA-N -2 3 293.319 1.632 10 0 CDAEHL O=C([O-])[C@]1(NC(=O)c2cccc([O-])c2)CCSC1 ZINC000043503444 175059443 /nfs/dbraw/zinc/05/94/43/175059443.db2.gz FGQCDQHYLPYMLQ-LBPRGKRZSA-N -2 3 267.306 1.082 10 0 CDAEHL C[C@H](CCNC(=O)c1ccc(O)cc1[O-])CCC(=O)[O-] ZINC000079059829 177424402 /nfs/dbraw/zinc/42/44/02/177424402.db2.gz ZNOPXLBTTVOFMV-VIFPVBQESA-N -2 3 281.308 1.719 10 0 CDAEHL O=C([O-])C12CC(C1)CN2C(=O)c1cc([O-])ccc1Cl ZINC000694721299 1159497249 /nfs/dbraw/zinc/49/72/49/1159497249.db2.gz MPJLTIOXKWOQDG-UHFFFAOYSA-N -2 3 281.695 1.735 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1Sc1cccc(C(=O)[O-])n1 ZINC000061593868 519919193 /nfs/dbraw/zinc/91/91/93/519919193.db2.gz PKTKRHOOUUUZFV-UHFFFAOYSA-N -2 3 280.309 1.397 10 0 CDAEHL CC1CCC(Cn2c(=O)[n-]nc2SCC(=O)[O-])CC1 ZINC000063147023 520925969 /nfs/dbraw/zinc/92/59/69/520925969.db2.gz SLHZHGIMWUFHMH-UHFFFAOYSA-N -2 3 285.369 1.574 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(=O)[O-])sc1C ZINC000905999666 627088081 /nfs/dbraw/zinc/08/80/81/627088081.db2.gz NGHSFABXDUUHCZ-UHFFFAOYSA-N -2 3 299.320 1.363 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1cccc(Cl)c1[O-] ZINC001598122328 1174306891 /nfs/dbraw/zinc/30/68/91/1174306891.db2.gz QCOPBEYUBAAOEU-UHFFFAOYSA-N -2 3 281.703 1.520 10 0 CDAEHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)c([O-])c1 ZINC001417635943 973221477 /nfs/dbraw/zinc/22/14/77/973221477.db2.gz MGZPIFOOPHNEMA-SECBINFHSA-N -2 3 295.726 1.287 10 0 CDAEHL C[C@H]1CCCN(S(=O)(=O)[N-]c2c([O-])cccc2F)C1 ZINC000608004783 345506708 /nfs/dbraw/zinc/50/67/08/345506708.db2.gz SSYWOCPBMJQBGG-VIFPVBQESA-N -2 3 288.344 1.920 10 0 CDAEHL CCOCCS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000087844902 179498886 /nfs/dbraw/zinc/49/88/86/179498886.db2.gz WIVDJFLWGHQBGF-UHFFFAOYSA-N -2 3 287.337 1.092 10 0 CDAEHL Cc1ccc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)[O-])c([O-])c1 ZINC000104269667 185949659 /nfs/dbraw/zinc/94/96/59/185949659.db2.gz BZTINIUDOWQKKM-SCZZXKLOSA-N -2 3 281.333 1.689 10 0 CDAEHL Cc1ccc([O-])c([N-]S(=O)(=O)c2c[nH]c(=O)s2)c1 ZINC000436477850 361518356 /nfs/dbraw/zinc/51/83/56/361518356.db2.gz NLDWQMVGVCDLLD-UHFFFAOYSA-N -2 3 286.334 1.664 10 0 CDAEHL O=c1cc(/C=C/c2ccc([O-])c(Cl)c2)nc2nc[n-]n21 ZINC000436935795 361613056 /nfs/dbraw/zinc/61/30/56/361613056.db2.gz XKELQKWSOFNCFS-HNQUOIGGSA-N -2 3 288.694 1.947 10 0 CDAEHL Cc1ccc(C(=O)N2C3CCC2(C(=O)[O-])CC3)c([O-])c1 ZINC000630325978 368726837 /nfs/dbraw/zinc/72/68/37/368726837.db2.gz VFLNPISNUHBKAH-UHFFFAOYSA-N -2 3 275.304 1.922 10 0 CDAEHL CCc1cc(=O)[n-]c(CN(C)[C@H](CC)C(=O)[O-])n1 ZINC000650516551 398028765 /nfs/dbraw/zinc/02/87/65/398028765.db2.gz FLKIJBFVGHCWRU-SECBINFHSA-N -2 3 253.302 1.040 10 0 CDAEHL O=C([O-])CS(=O)(=O)[N-]c1ccccc1SC(F)F ZINC000020245425 171098737 /nfs/dbraw/zinc/09/87/37/171098737.db2.gz FMRCYLKFNHHVKN-UHFFFAOYSA-N -2 3 297.304 1.828 10 0 CDAEHL CN1CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC000040521123 174310297 /nfs/dbraw/zinc/31/02/97/174310297.db2.gz JYOCQKDRTOEFJP-UHFFFAOYSA-N -2 3 293.323 1.260 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCc2ccncc2)c([O-])c1 ZINC000040558788 174332952 /nfs/dbraw/zinc/33/29/52/174332952.db2.gz SJSPDFXXWIIVSC-UHFFFAOYSA-N -2 3 287.275 1.807 10 0 CDAEHL C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000044885676 175270356 /nfs/dbraw/zinc/27/03/56/175270356.db2.gz SBWSAZFNEAXCAV-RXMQYKEDSA-N -2 3 267.676 1.050 10 0 CDAEHL C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000044885676 175270357 /nfs/dbraw/zinc/27/03/57/175270357.db2.gz SBWSAZFNEAXCAV-RXMQYKEDSA-N -2 3 267.676 1.050 10 0 CDAEHL CC[C@@H](C)[C@H](Nc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)[O-] ZINC000075218710 176673899 /nfs/dbraw/zinc/67/38/99/176673899.db2.gz KKLMYRURSJBWAX-XRGYYRRGSA-N -2 3 293.245 1.700 10 0 CDAEHL CC1(c2nc(=NC(=O)c3cccc([O-])c3)s[n-]2)CC1 ZINC000529703880 271016374 /nfs/dbraw/zinc/01/63/74/271016374.db2.gz PDCUZOWFINPPDA-UHFFFAOYSA-N -2 3 275.333 1.969 10 0 CDAEHL COc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000234949624 280126106 /nfs/dbraw/zinc/12/61/06/280126106.db2.gz IISSANIKLGUDKD-TVQRCGJNSA-N -2 3 293.319 1.726 10 0 CDAEHL C[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C(=O)[O-] ZINC000235634098 280127391 /nfs/dbraw/zinc/12/73/91/280127391.db2.gz PMULNVKHYUZPAQ-JOYOIKCWSA-N -2 3 263.293 1.718 10 0 CDAEHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccco1)CC1CC1 ZINC000650431184 482453953 /nfs/dbraw/zinc/45/39/53/482453953.db2.gz KILNTDKHBOQHPO-SECBINFHSA-N -2 3 273.310 1.059 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000061215229 521246302 /nfs/dbraw/zinc/24/63/02/521246302.db2.gz NQFBRGTUCYGGIW-JTQLQIEISA-N -2 3 265.309 1.883 10 0 CDAEHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC000905996627 627087084 /nfs/dbraw/zinc/08/70/84/627087084.db2.gz IQJLGCYMNKWWMM-UHFFFAOYSA-N -2 3 287.312 1.937 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)[C@H](C)C(=O)[O-] ZINC000133196924 730715162 /nfs/dbraw/zinc/71/51/62/730715162.db2.gz VIMGFRRFQZHEIX-BQBZGAKWSA-N -2 3 292.744 1.123 10 0 CDAEHL C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000871770075 1165343160 /nfs/dbraw/zinc/34/31/60/1165343160.db2.gz LHADFEVMVDIRIB-BBBLOLIVSA-N -2 3 287.337 1.447 10 0 CDAEHL S=c1[n-]cnc2[n-]nc(I)c21 ZINC000089222405 358397702 /nfs/dbraw/zinc/39/77/02/358397702.db2.gz HDDHOLGNNNLVDS-UHFFFAOYSA-N -2 3 278.078 1.246 10 0 CDAEHL O=C([O-])CCCS(=O)(=O)[N-]c1cccc(F)c1F ZINC000040230308 174209503 /nfs/dbraw/zinc/20/95/03/174209503.db2.gz QCICLWLABCILNE-UHFFFAOYSA-N -2 3 279.264 1.571 10 0 CDAEHL CC(C(=O)[O-])=C(C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000071165080 176047832 /nfs/dbraw/zinc/04/78/32/176047832.db2.gz YOWDYSSNOHMELY-FPLPWBNLSA-N -2 3 287.279 1.226 10 0 CDAEHL CC(C(=O)[O-])=C(C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000071165080 176047833 /nfs/dbraw/zinc/04/78/33/176047833.db2.gz YOWDYSSNOHMELY-FPLPWBNLSA-N -2 3 287.279 1.226 10 0 CDAEHL C/C(C(=O)[O-])=C(\C)C(=O)NC(=O)[N-]c1cc(C)no1 ZINC000071165955 176048751 /nfs/dbraw/zinc/04/87/51/176048751.db2.gz RFNORIDVCNHYBJ-SREVYHEPSA-N -2 3 267.241 1.052 10 0 CDAEHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000234020687 482995139 /nfs/dbraw/zinc/99/51/39/482995139.db2.gz YZUXPDXTRIBVLJ-IMTBSYHQSA-N -2 3 292.382 1.229 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000061214847 521244778 /nfs/dbraw/zinc/24/47/78/521244778.db2.gz YFOPBAJVWQUFLX-QMMMGPOBSA-N -2 3 267.281 1.281 10 0 CDAEHL O=C([O-])CO[N-]C(=O)CCc1nc2ccccc2s1 ZINC000069073073 527615381 /nfs/dbraw/zinc/61/53/81/527615381.db2.gz FWWNSKXUKIRMIE-UHFFFAOYSA-N -2 3 280.305 1.361 10 0 CDAEHL O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1nnn[n-]1 ZINC000720628556 734479598 /nfs/dbraw/zinc/47/95/98/734479598.db2.gz PKUCFFZLTRYINW-SNVBAGLBSA-N -2 3 277.259 1.022 10 0 CDAEHL O=C(c1ccc([O-])cc1F)N1CCC[C@@H]1c1nn[n-]n1 ZINC000720628556 734479601 /nfs/dbraw/zinc/47/96/01/734479601.db2.gz PKUCFFZLTRYINW-SNVBAGLBSA-N -2 3 277.259 1.022 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000871993384 734720677 /nfs/dbraw/zinc/72/06/77/734720677.db2.gz IVXRCAOSVRLJLE-RNLVFQAGSA-N -2 3 271.294 1.055 10 0 CDAEHL O=C(CCc1nnn[n-]1)Nc1c([O-])cccc1Cl ZINC001298549729 955203554 /nfs/dbraw/zinc/20/35/54/955203554.db2.gz BHBFOZAPDNYINQ-UHFFFAOYSA-N -2 3 267.676 1.130 10 0 CDAEHL O=C(Nc1nnn[n-]1)c1cc([O-])c2ccccc2c1 ZINC000352373107 539096189 /nfs/dbraw/zinc/09/61/89/539096189.db2.gz CQZZTGCYOPAUNX-UHFFFAOYSA-N -2 3 255.237 1.311 10 0 CDAEHL O=C(Nc1nn[n-]n1)c1cc([O-])c2ccccc2c1 ZINC000352373107 539096190 /nfs/dbraw/zinc/09/61/90/539096190.db2.gz CQZZTGCYOPAUNX-UHFFFAOYSA-N -2 3 255.237 1.311 10 0 CDAEHL O=c1ccc2c(NC([O-])=C3CCCc4[nH]ncc43)[nH][n-]c-2c1 ZINC000615138258 348354918 /nfs/dbraw/zinc/35/49/18/348354918.db2.gz WPEBFPCFWLQLMD-VIFPVBQESA-N -2 3 297.318 1.472 10 0 CDAEHL Cc1oc(C)c(S(=O)(=O)[N-]CC(C)(C)F)c1C(=O)[O-] ZINC000634653849 356641740 /nfs/dbraw/zinc/64/17/40/356641740.db2.gz MFTSLTMTVNWZKT-UHFFFAOYSA-N -2 3 293.316 1.621 10 0 CDAEHL C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])C1 ZINC000085203618 357197656 /nfs/dbraw/zinc/19/76/56/357197656.db2.gz CANUINPHTDBCEI-SECBINFHSA-N -2 3 288.344 1.920 10 0 CDAEHL CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000547934798 369689631 /nfs/dbraw/zinc/68/96/31/369689631.db2.gz JFWNFTTXFPNOSH-UHFFFAOYSA-N -2 3 287.337 1.934 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000274887555 371196443 /nfs/dbraw/zinc/19/64/43/371196443.db2.gz FGWSZYROGNUIPR-ZETCQYMHSA-N -2 3 291.300 1.301 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000274878380 371196485 /nfs/dbraw/zinc/19/64/85/371196485.db2.gz CCRVAEAIELYULX-SSDOTTSWSA-N -2 3 291.300 1.301 10 0 CDAEHL O=C([O-])[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000022161506 171364042 /nfs/dbraw/zinc/36/40/42/171364042.db2.gz OFYRALGFYXEMKU-CYBMUJFWSA-N -2 3 287.271 1.654 10 0 CDAEHL CC[C@@H](C)[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022176920 171370801 /nfs/dbraw/zinc/37/08/01/171370801.db2.gz AVMJALQEFFBKRC-RDDDGLTNSA-N -2 3 267.281 1.327 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])o1 ZINC000656725909 413604211 /nfs/dbraw/zinc/60/42/11/413604211.db2.gz WKVXUCXQKNQSNX-SNVBAGLBSA-N -2 3 279.289 1.069 10 0 CDAEHL CSc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000659762732 414089084 /nfs/dbraw/zinc/08/90/84/414089084.db2.gz QCLFUDRHVIKELX-MRVPVSSYSA-N -2 3 281.333 1.661 10 0 CDAEHL Cc1cccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1[O-] ZINC000043508464 175059802 /nfs/dbraw/zinc/05/98/02/175059802.db2.gz IGJWAHIBCFPLIL-CYBMUJFWSA-N -2 3 281.333 1.391 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccccc1[O-] ZINC000061214892 521198069 /nfs/dbraw/zinc/19/80/69/521198069.db2.gz JRACNIICHYQDOS-SECBINFHSA-N -2 3 251.282 1.575 10 0 CDAEHL CCCc1nc(=NC(=O)c2ccc3n[n-]nc3c2)s[n-]1 ZINC000338771865 521469864 /nfs/dbraw/zinc/46/98/64/521469864.db2.gz SZTUVWHXAMKRPT-UHFFFAOYSA-N -2 3 288.336 1.436 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767154 521615966 /nfs/dbraw/zinc/61/59/66/521615966.db2.gz MQJNHFNDXHWKJK-KXUCPTDWSA-N -2 3 299.396 1.963 10 0 CDAEHL CC[C@@H](C)[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591948 522300948 /nfs/dbraw/zinc/30/09/48/522300948.db2.gz NCKZMNDQHKRIFU-RNFRBKRXSA-N -2 3 259.331 1.355 10 0 CDAEHL O=C([O-])CC1(NC(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000846132479 738596373 /nfs/dbraw/zinc/59/63/73/738596373.db2.gz FLOSVTUMRVALLZ-UHFFFAOYSA-N -2 3 287.275 1.073 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCC1CC1 ZINC000871994921 1165371507 /nfs/dbraw/zinc/37/15/07/1165371507.db2.gz AQRPMSXBIJZHSD-UHFFFAOYSA-N -2 3 273.310 1.446 10 0 CDAEHL CCCO[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000844085896 931536823 /nfs/dbraw/zinc/53/68/23/931536823.db2.gz SNNWQDUFYKXEDR-GFCCVEGCSA-N -2 3 292.335 1.455 10 0 CDAEHL CCO[N-]C(=O)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001452826619 968189156 /nfs/dbraw/zinc/18/91/56/968189156.db2.gz PDSOLMKCRTZYNB-UHFFFAOYSA-N -2 3 294.332 1.404 10 0 CDAEHL Cc1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)c([O-])c1 ZINC000095339498 539042152 /nfs/dbraw/zinc/04/21/52/539042152.db2.gz RCNREBFKEQADFF-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL Cc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c([O-])c1 ZINC000095339498 539042153 /nfs/dbraw/zinc/04/21/53/539042153.db2.gz RCNREBFKEQADFF-UHFFFAOYSA-N -2 3 287.323 1.413 10 0 CDAEHL CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc([O-])c(F)c1 ZINC000085415713 179058568 /nfs/dbraw/zinc/05/85/68/179058568.db2.gz HASNKUVWUUSWBA-NXEZZACHSA-N -2 3 267.256 1.827 10 0 CDAEHL COCCS(=O)(=O)[N-]c1cc(C)cc(F)c1C(=O)[O-] ZINC000663270127 414105914 /nfs/dbraw/zinc/10/59/14/414105914.db2.gz VUJZXMVQRKKRLA-UHFFFAOYSA-N -2 3 291.300 1.220 10 0 CDAEHL O=C([O-])c1cc(NC(=O)[C@@H]2CCCCN2)cc(C(=O)[O-])c1 ZINC000040483666 174286734 /nfs/dbraw/zinc/28/67/34/174286734.db2.gz UXWOYJCAPCEKSQ-NSHDSACASA-N -2 3 292.291 1.164 10 0 CDAEHL Cc1nc(C(=O)[N-]c2cc(F)c(F)cc2C(=O)[O-])no1 ZINC000071382456 176146104 /nfs/dbraw/zinc/14/61/04/176146104.db2.gz KHSKBONIMPUSAM-UHFFFAOYSA-N -2 3 283.190 1.607 10 0 CDAEHL COCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000071392821 176149398 /nfs/dbraw/zinc/14/93/98/176149398.db2.gz JFRJLCYEGYPZFP-UHFFFAOYSA-N -2 3 293.728 1.426 10 0 CDAEHL O=C(Nc1ccccc1[O-])c1nn(-c2ccccc2)c(=O)[n-]1 ZINC000071528441 176194389 /nfs/dbraw/zinc/19/43/89/176194389.db2.gz IRQDTOFADYCIKN-UHFFFAOYSA-N -2 3 296.286 1.931 10 0 CDAEHL O=C([O-])c1cnc(C=Cc2cccc3nccn32)[n-]c1=O ZINC000670370007 482844919 /nfs/dbraw/zinc/84/49/19/482844919.db2.gz QCACFWICTQWLMT-PLNGDYQASA-N -2 3 282.259 1.699 10 0 CDAEHL C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000052276312 524854972 /nfs/dbraw/zinc/85/49/72/524854972.db2.gz YWLZCWWXOARTII-XPUUQOCRSA-N -2 3 275.351 1.062 10 0 CDAEHL C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000903024712 625801163 /nfs/dbraw/zinc/80/11/63/625801163.db2.gz NEELIHNNJCWFMK-DEKFOEGESA-N -2 3 299.348 1.548 10 0 CDAEHL CC(C)[C@H](CO)O[N-]C(=O)CC1CCC(C(=O)[O-])CC1 ZINC000911815177 629508654 /nfs/dbraw/zinc/50/86/54/629508654.db2.gz UZBHDAOBIUHOMD-MCIGGMRASA-N -2 3 287.356 1.332 10 0 CDAEHL CSc1nc([N-]C(=O)c2nnc(-c3ccco3)o2)n[n-]1 ZINC001631612516 1166290213 /nfs/dbraw/zinc/29/02/13/1166290213.db2.gz PMQXCYFDFQMEJH-UHFFFAOYSA-N -2 3 292.280 1.422 10 0 CDAEHL COc1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC001363411472 972147373 /nfs/dbraw/zinc/14/73/73/972147373.db2.gz KRCHBXIVCMSYKG-UHFFFAOYSA-N -2 3 287.247 1.783 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@H]1NC(=O)c1cccc([O-])c1 ZINC000085323119 179016609 /nfs/dbraw/zinc/01/66/09/179016609.db2.gz PXHUSDCKTWHUKB-NWDGAFQWSA-N -2 3 263.293 1.765 10 0 CDAEHL O=C([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)c(O)c1 ZINC000305462969 359022402 /nfs/dbraw/zinc/02/24/02/359022402.db2.gz RXIQGJHVVYBOBM-UHFFFAOYSA-N -2 3 285.321 1.632 10 0 CDAEHL O=C([O-])[C@@H]1CCCN(c2nc(=O)c3sccc3[n-]2)C1 ZINC000057346539 304110902 /nfs/dbraw/zinc/11/09/02/304110902.db2.gz WNSVZVIGBLASKC-SSDOTTSWSA-N -2 3 279.321 1.286 10 0 CDAEHL Cc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)c([O-])c1 ZINC000526960793 391236618 /nfs/dbraw/zinc/23/66/18/391236618.db2.gz NJTGZYUZXHIVOU-CYBMUJFWSA-N -2 3 287.319 1.949 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1cc(C)ccc1C(=O)[O-] ZINC000574219079 392546865 /nfs/dbraw/zinc/54/68/65/392546865.db2.gz MRRDCRXHEIIPNB-SECBINFHSA-N -2 3 287.337 1.470 10 0 CDAEHL O=C([O-])[C@]1(CC(=O)Nc2cc(Cl)ccc2[O-])CCOC1 ZINC000656477419 413341571 /nfs/dbraw/zinc/34/15/71/413341571.db2.gz KIGNSHSBQPXOHB-ZDUSSCGKSA-N -2 3 299.710 1.866 10 0 CDAEHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000022145010 171356200 /nfs/dbraw/zinc/35/62/00/171356200.db2.gz PRGOGPZRTNMQMC-GZMMTYOYSA-N -2 3 289.328 1.603 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)N2CCC[C@@H](CO)C2)c([O-])c1 ZINC000040582785 174345550 /nfs/dbraw/zinc/34/55/50/174345550.db2.gz KXNJQGNBFNNEOE-SECBINFHSA-N -2 3 294.307 1.327 10 0 CDAEHL Cc1cc(C(=O)[O-])c([N-]C(=O)c2noc(C)n2)s1 ZINC000071382491 176146190 /nfs/dbraw/zinc/14/61/90/176146190.db2.gz QNHRHXLBXLIEOD-UHFFFAOYSA-N -2 3 267.266 1.698 10 0 CDAEHL CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000576940154 317234487 /nfs/dbraw/zinc/23/44/87/317234487.db2.gz ICSGXAGSFARPCP-VIFPVBQESA-N -2 3 275.326 1.367 10 0 CDAEHL Cc1ccc(C(=O)N2CC[C@H]([C@@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001772383699 1160188615 /nfs/dbraw/zinc/18/86/15/1160188615.db2.gz SWUTVAMWCFVBHV-JOYOIKCWSA-N -2 3 281.283 1.585 10 0 CDAEHL CCC1CCC(n2c(=O)[n-]nc2SCC(=O)[O-])CC1 ZINC000061591938 519857360 /nfs/dbraw/zinc/85/73/60/519857360.db2.gz YTTZSPYDGKISIV-UHFFFAOYSA-N -2 3 285.369 1.889 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1ccc(C=CC(=O)[O-])s1 ZINC000061593250 527020325 /nfs/dbraw/zinc/02/03/25/527020325.db2.gz KARZRXXTXSSMGK-SNAWJCMRSA-N -2 3 297.361 1.560 10 0 CDAEHL C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1CC(=O)[O-] ZINC000910860298 618549589 /nfs/dbraw/zinc/54/95/89/618549589.db2.gz AIKAYTNQIJCDTP-MWLCHTKSSA-N -2 3 295.310 1.643 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCCCC1 ZINC000871993126 745351935 /nfs/dbraw/zinc/35/19/35/745351935.db2.gz LHFDLGWJJPYJFA-UHFFFAOYSA-N -2 3 273.310 1.589 10 0 CDAEHL COc1nc([N-]C(=O)c2c(C)noc2C(F)(F)F)n[n-]1 ZINC000778956289 746668296 /nfs/dbraw/zinc/66/82/96/746668296.db2.gz URMOIUINCORXOO-UHFFFAOYSA-N -2 3 291.189 1.381 10 0 CDAEHL O=C([O-])[C@@H]1OCC[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000715139400 747801752 /nfs/dbraw/zinc/80/17/52/747801752.db2.gz FPRZFVHEFBCCPO-RDDDGLTNSA-N -2 3 299.710 1.265 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]C/C=C\C(=O)[O-])sc1Cl ZINC000310412964 747811479 /nfs/dbraw/zinc/81/14/79/747811479.db2.gz MGHUBXWIDRZLPA-IHWYPQMZSA-N -2 3 295.769 1.629 10 0 CDAEHL CC[C@H](C)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995352 748647644 /nfs/dbraw/zinc/64/76/44/748647644.db2.gz TYCVRZJAXLKWGU-QMMMGPOBSA-N -2 3 275.326 1.692 10 0 CDAEHL CCC[C@@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263542110 748954166 /nfs/dbraw/zinc/95/41/66/748954166.db2.gz DLEWPRCXNFXLBR-SECBINFHSA-N -2 3 269.301 1.629 10 0 CDAEHL CC(C)O[N-]C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001347893443 965741713 /nfs/dbraw/zinc/74/17/13/965741713.db2.gz IZDFWDCSAQNXHY-GFCCVEGCSA-N -2 3 292.335 1.453 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)ccc(F)c1F ZINC001454191035 968442571 /nfs/dbraw/zinc/44/25/71/968442571.db2.gz UEUOSHVQDJHXOR-UHFFFAOYSA-N -2 3 299.208 1.235 10 0 CDAEHL C[C@H](NC(=O)c1ccc(O)cc1[O-])c1nn(C)cc1[O-] ZINC001472236700 970604448 /nfs/dbraw/zinc/60/44/48/970604448.db2.gz MTQSNAXBYYOZLJ-ZETCQYMHSA-N -2 3 277.280 1.028 10 0 CDAEHL O=C([O-])Cc1cc([O-])cc(I)c1 ZINC000095764699 185027432 /nfs/dbraw/zinc/02/74/32/185027432.db2.gz IKUBIIBWVBODFV-UHFFFAOYSA-N -2 3 278.045 1.624 10 0 CDAEHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000580283561 365484716 /nfs/dbraw/zinc/48/47/16/365484716.db2.gz DEOGSCLPDRPKTF-RKDXNWHRSA-N -2 3 289.328 1.522 10 0 CDAEHL Cc1cnc(C(=O)NCc2ccc([O-])c(F)c2)c([O-])c1 ZINC000358559303 367774814 /nfs/dbraw/zinc/77/48/14/367774814.db2.gz OUEBZQNQPSIVNK-UHFFFAOYSA-N -2 3 276.267 1.870 10 0 CDAEHL COc1nc(NC(=O)c2cc(F)c([O-])c(Cl)c2)n[n-]1 ZINC000567676005 371093992 /nfs/dbraw/zinc/09/39/92/371093992.db2.gz AUDAQESMKDVELA-UHFFFAOYSA-N -2 3 286.650 1.564 10 0 CDAEHL COc1nnc(NC(=O)c2cc(F)c([O-])c(Cl)c2)[n-]1 ZINC000567676005 371093995 /nfs/dbraw/zinc/09/39/95/371093995.db2.gz AUDAQESMKDVELA-UHFFFAOYSA-N -2 3 286.650 1.564 10 0 CDAEHL COc1n[n-]c(NC(=O)c2cc(F)c([O-])c(Cl)c2)n1 ZINC000567676005 371093999 /nfs/dbraw/zinc/09/39/99/371093999.db2.gz AUDAQESMKDVELA-UHFFFAOYSA-N -2 3 286.650 1.564 10 0 CDAEHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c1 ZINC000571658272 372788769 /nfs/dbraw/zinc/78/87/69/372788769.db2.gz WNNGDRMYADFDIB-JOYOIKCWSA-N -2 3 299.348 1.612 10 0 CDAEHL CC(C)Cc1nc(=NCCCc2c[n-][nH]c2=O)s[n-]1 ZINC000631361182 376150825 /nfs/dbraw/zinc/15/08/25/376150825.db2.gz KWJRRRAHZCLCOV-SECBINFHSA-N -2 3 281.385 1.082 10 0 CDAEHL Cc1nc(C)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)s1 ZINC000650442897 397986770 /nfs/dbraw/zinc/98/67/70/397986770.db2.gz ZQHZIBOUAKUAAA-UHFFFAOYSA-N -2 3 290.366 1.046 10 0 CDAEHL CCN(CC)S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426763 172194476 /nfs/dbraw/zinc/19/44/76/172194476.db2.gz SLCQHISIUCIHFT-UHFFFAOYSA-N -2 3 278.355 1.445 10 0 CDAEHL Cc1cc([N-]C(=O)c2noc(C)n2)sc1C(=O)[O-] ZINC000071382289 176146352 /nfs/dbraw/zinc/14/63/52/176146352.db2.gz XXUNUJRWJZSOAL-UHFFFAOYSA-N -2 3 267.266 1.698 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1[O-] ZINC000527499632 281145715 /nfs/dbraw/zinc/14/57/15/281145715.db2.gz NZKQJMOTJZBDAD-GFCCVEGCSA-N -2 3 273.292 1.641 10 0 CDAEHL COc1ccsc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC000576827638 317215662 /nfs/dbraw/zinc/21/56/62/317215662.db2.gz XKGHKFNLXXKCGS-UHFFFAOYSA-N -2 3 291.350 1.042 10 0 CDAEHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000580283559 324418796 /nfs/dbraw/zinc/41/87/96/324418796.db2.gz DEOGSCLPDRPKTF-DTWKUNHWSA-N -2 3 289.328 1.522 10 0 CDAEHL CCOc1ccccc1CCC(=O)[N-]OCC(=O)[O-] ZINC000069054911 521469158 /nfs/dbraw/zinc/46/91/58/521469158.db2.gz OTFFLACTQBGNBQ-UHFFFAOYSA-N -2 3 267.281 1.150 10 0 CDAEHL C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000052276373 524853546 /nfs/dbraw/zinc/85/35/46/524853546.db2.gz AMUKLRLMTGOAHE-FSPLSTOPSA-N -2 3 261.324 1.133 10 0 CDAEHL C[C@@H](Cc1ccccc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000062191702 524915280 /nfs/dbraw/zinc/91/52/80/524915280.db2.gz KOUXKBADJJXODB-VIFPVBQESA-N -2 3 293.348 1.552 10 0 CDAEHL C[C@@H](Cc1ccsc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061592089 524941606 /nfs/dbraw/zinc/94/16/06/524941606.db2.gz NQUJKASYYGCVND-ZETCQYMHSA-N -2 3 299.377 1.613 10 0 CDAEHL COc1cccc(C(=O)Nc2nccnc2C(=O)[O-])c1[O-] ZINC000063215557 525838004 /nfs/dbraw/zinc/83/80/04/525838004.db2.gz KPSIDHFMVLVIJS-UHFFFAOYSA-N -2 3 289.247 1.141 10 0 CDAEHL COc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000910855440 618546319 /nfs/dbraw/zinc/54/63/19/618546319.db2.gz UITWRNWYQRMXGU-NXEZZACHSA-N -2 3 293.319 1.584 10 0 CDAEHL Cc1nc(C=Cc2nccs2)[n-]c(=O)c1CC(=O)[O-] ZINC000794715626 619434562 /nfs/dbraw/zinc/43/45/62/619434562.db2.gz XXHJQCJSGRXVTD-IHWYPQMZSA-N -2 3 277.305 1.745 10 0 CDAEHL CC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001633034715 1166396294 /nfs/dbraw/zinc/39/62/94/1166396294.db2.gz WPDXADRQUDOFTJ-UHFFFAOYSA-N -2 3 273.248 1.343 10 0 CDAEHL O=C([O-])c1sccc1[N-]S(=O)(=O)CC1CC1 ZINC000083139871 178340757 /nfs/dbraw/zinc/34/07/57/178340757.db2.gz GMYLCUMXXVSEPU-UHFFFAOYSA-N -2 3 261.324 1.598 10 0 CDAEHL Cc1nc(-c2nc[n-]n2)[n-]c(=O)c1Br ZINC000085448027 179063572 /nfs/dbraw/zinc/06/35/72/179063572.db2.gz LPFOZHCAORPDLZ-UHFFFAOYSA-N -2 3 256.063 1.038 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)cc1C(=O)[O-] ZINC000634654649 356644433 /nfs/dbraw/zinc/64/44/33/356644433.db2.gz PCGHCENPMBFUPK-NOZJJQNGSA-N -2 3 299.348 1.897 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])o1 ZINC000565058076 370341801 /nfs/dbraw/zinc/34/18/01/370341801.db2.gz RRWKJFRAPPIPSY-MRVPVSSYSA-N -2 3 275.326 1.367 10 0 CDAEHL N[C@H](c1sc(Cl)nc1Cl)P(=O)([O-])[O-] ZINC000307578519 373039180 /nfs/dbraw/zinc/03/91/80/373039180.db2.gz NXKMLXJAFWWHNF-VKHMYHEASA-N -2 3 263.042 1.585 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403776103 390953233 /nfs/dbraw/zinc/95/32/33/390953233.db2.gz DZHGRQGGLCJTIL-IWSPIJDZSA-N -2 3 285.321 1.445 10 0 CDAEHL Cc1csc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])c1 ZINC000656725103 413604387 /nfs/dbraw/zinc/60/43/87/413604387.db2.gz QBXSLHYTCGFVSD-SNVBAGLBSA-N -2 3 295.357 1.538 10 0 CDAEHL CC(C)(C)c1n[n-]c(CN=c2[n-]c(C3CCC3)no2)n1 ZINC000562722021 293183609 /nfs/dbraw/zinc/18/36/09/293183609.db2.gz HIPUHGXRZPQZLP-UHFFFAOYSA-N -2 3 276.344 1.787 10 0 CDAEHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000563076136 293265273 /nfs/dbraw/zinc/26/52/73/293265273.db2.gz JZBRYNAOAVNZGY-ONGXEEELSA-N -2 3 299.348 1.612 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)o1 ZINC000575985407 317051283 /nfs/dbraw/zinc/05/12/83/317051283.db2.gz KQKMEBIAQLFVLG-VHSXEESVSA-N -2 3 287.337 1.510 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H](CC(=O)[O-])C(F)(F)F ZINC000062767138 521615734 /nfs/dbraw/zinc/61/57/34/521615734.db2.gz POQMCPQXCHJQMW-YFKPBYRVSA-N -2 3 299.274 1.479 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1cccc(C(=O)[O-])n1 ZINC000061593851 521615889 /nfs/dbraw/zinc/61/58/89/521615889.db2.gz VDUMEIRBUXWYLN-UHFFFAOYSA-N -2 3 280.309 1.226 10 0 CDAEHL C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000052276352 524855376 /nfs/dbraw/zinc/85/53/76/524855376.db2.gz QXOVGDDFPWJXEU-FSPLSTOPSA-N -2 3 291.275 1.350 10 0 CDAEHL Cc1nc(C)c(CC(=O)Nc2c([O-])cccc2F)c(=O)[n-]1 ZINC000743417600 576639135 /nfs/dbraw/zinc/63/91/35/576639135.db2.gz YAIKSSJSERZQKT-UHFFFAOYSA-N -2 3 291.282 1.825 10 0 CDAEHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccco1)C1CCCC1 ZINC000903029223 625805803 /nfs/dbraw/zinc/80/58/03/625805803.db2.gz HBRGCXXTZXJWMH-JTQLQIEISA-N -2 3 287.337 1.591 10 0 CDAEHL COc1ccc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001649255237 1158586526 /nfs/dbraw/zinc/58/65/26/1158586526.db2.gz PWHRWSKLONAKDU-PELKAZGASA-N -2 3 297.282 1.286 10 0 CDAEHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000309274114 756462328 /nfs/dbraw/zinc/46/23/28/756462328.db2.gz FVXPRPISLRYSEK-OWOJBTEDSA-N -2 3 281.742 1.321 10 0 CDAEHL CS[C@@H](C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993990 757972980 /nfs/dbraw/zinc/97/29/80/757972980.db2.gz QIXGKSRULKMKQF-LURJTMIESA-N -2 3 279.339 1.008 10 0 CDAEHL C[C@@H](CN(C)C(=O)c1ccc(Cl)c([O-])c1)c1nn[n-]n1 ZINC001362303653 971135376 /nfs/dbraw/zinc/13/53/76/971135376.db2.gz WLWVVSTZNXQNGD-ZETCQYMHSA-N -2 3 295.730 1.434 10 0 CDAEHL Cc1nc(C=Cc2ncc[nH]2)[n-]c(=O)c1CC(=O)[O-] ZINC001340934135 963198991 /nfs/dbraw/zinc/19/89/91/963198991.db2.gz SXRMKFSEWRRRKX-NSCUHMNNSA-N -2 3 260.253 1.011 10 0 CDAEHL CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC ZINC000096697649 185110004 /nfs/dbraw/zinc/11/00/04/185110004.db2.gz ISMWFKJLNMUJBA-UHFFFAOYSA-N -2 3 259.283 1.155 10 0 CDAEHL O=C([O-])c1cc2c(cc1Br)C(=O)[N-]C2=O ZINC000196325049 342775664 /nfs/dbraw/zinc/77/56/64/342775664.db2.gz WOSCNBDCJHWMQS-UHFFFAOYSA-N -2 3 270.038 1.031 10 0 CDAEHL Cc1cc(C(=O)N=c2[n-]nc(C3CC3)n2C)ccc1[O-] ZINC000617285647 345125486 /nfs/dbraw/zinc/12/54/86/345125486.db2.gz QNDDKUIVEQDMCC-UHFFFAOYSA-N -2 3 272.308 1.381 10 0 CDAEHL CC(C)(F)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000634654172 356640727 /nfs/dbraw/zinc/64/07/27/356640727.db2.gz ZGYPCKGRFJGEGB-UHFFFAOYSA-N -2 3 281.330 1.473 10 0 CDAEHL Cc1cc(Cl)cc([N-]S(=O)(=O)N2CCC2)c1[O-] ZINC000408068959 357803778 /nfs/dbraw/zinc/80/37/78/357803778.db2.gz ZJUNEZDDMVMFNB-UHFFFAOYSA-N -2 3 276.745 1.716 10 0 CDAEHL CCOc1ccccc1-c1ncc(-c2nn[n-]n2)c(=O)[n-]1 ZINC000039291383 374274976 /nfs/dbraw/zinc/27/49/76/374274976.db2.gz HFQLJWUYNGLOOJ-UHFFFAOYSA-N -2 3 284.279 1.016 10 0 CDAEHL CCOc1ccccc1-c1ncc(-c2nnn[n-]2)c(=O)[n-]1 ZINC000039291383 374274979 /nfs/dbraw/zinc/27/49/79/374274979.db2.gz HFQLJWUYNGLOOJ-UHFFFAOYSA-N -2 3 284.279 1.016 10 0 CDAEHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000653462017 412834031 /nfs/dbraw/zinc/83/40/31/412834031.db2.gz PHYKUEQOAGGMGC-NSHDSACASA-N -2 3 279.292 1.530 10 0 CDAEHL O=C1[N-]C(=S)NC1=Cc1ccc([O-])c(Br)c1 ZINC000100454644 284867144 /nfs/dbraw/zinc/86/71/44/284867144.db2.gz JYCSJLSBGQOMIG-DAXSKMNVSA-N -2 3 299.149 1.500 10 0 CDAEHL O=C([O-])c1coc2c1nc(-c1cccnc1)[n-]c2=O ZINC000521399997 393181548 /nfs/dbraw/zinc/18/15/48/393181548.db2.gz MVFVUKULCOLWHB-UHFFFAOYSA-N -2 3 257.205 1.689 10 0 CDAEHL COC(=O)c1coc(C(=O)[N-]c2n[n-]c(SC)n2)c1 ZINC000353763520 156067983 /nfs/dbraw/zinc/06/79/83/156067983.db2.gz VHAKYHKLTVNVCF-UHFFFAOYSA-N -2 3 282.281 1.159 10 0 CDAEHL COc1cc(/C=C(\NC(C)=O)C(=O)[O-])cc(Cl)c1[O-] ZINC000006820912 170246674 /nfs/dbraw/zinc/24/66/74/170246674.db2.gz GBOPFDFCYMAQJM-WTKPLQERSA-N -2 3 285.683 1.616 10 0 CDAEHL CCCCN(C)S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000035426916 172194825 /nfs/dbraw/zinc/19/48/25/172194825.db2.gz DNZSXTNYDAKABX-UHFFFAOYSA-N -2 3 292.382 1.835 10 0 CDAEHL O=S(=O)(c1ccccc1)c1ccc([O-])cc1[O-] ZINC000039209469 174165389 /nfs/dbraw/zinc/16/53/89/174165389.db2.gz JXJZVZYSYALGKZ-UHFFFAOYSA-N -2 3 250.275 1.931 10 0 CDAEHL CC(C)[C@@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483677 174286723 /nfs/dbraw/zinc/28/67/23/174286723.db2.gz GNSLZXWTXHLSJL-SNVBAGLBSA-N -2 3 280.280 1.005 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NC2CCOCC2)c([O-])c1 ZINC000040589545 174346132 /nfs/dbraw/zinc/34/61/32/174346132.db2.gz JWVORDNWJGPYFL-UHFFFAOYSA-N -2 3 280.280 1.391 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000095321675 289062474 /nfs/dbraw/zinc/06/24/74/289062474.db2.gz SHGSBLRJOAFAQG-JTQLQIEISA-N -2 3 287.323 1.234 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000095321675 289062480 /nfs/dbraw/zinc/06/24/80/289062480.db2.gz SHGSBLRJOAFAQG-JTQLQIEISA-N -2 3 287.323 1.234 10 0 CDAEHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000578898249 324054026 /nfs/dbraw/zinc/05/40/26/324054026.db2.gz SCMRYBZUNLEDNH-SNVBAGLBSA-N -2 3 289.353 1.756 10 0 CDAEHL CCN(C(=O)c1ccccc1[O-])[C@H](C)CC(=O)[O-] ZINC000061177924 520105085 /nfs/dbraw/zinc/10/50/85/520105085.db2.gz JYIHOXQCOCRWNL-SECBINFHSA-N -2 3 251.282 1.718 10 0 CDAEHL CCOC(=O)[C@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000049376197 521202364 /nfs/dbraw/zinc/20/23/64/521202364.db2.gz COBYVCALTPXTEV-ZETCQYMHSA-N -2 3 296.279 1.164 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000062767216 523093383 /nfs/dbraw/zinc/09/33/83/523093383.db2.gz IVXNAFIPLJTQLU-JGVFFNPUSA-N -2 3 271.342 1.327 10 0 CDAEHL C[C@@H](CCC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909453699 619327224 /nfs/dbraw/zinc/32/72/24/619327224.db2.gz PGIBGYQWMWXNSB-QMMMGPOBSA-N -2 3 269.272 1.443 10 0 CDAEHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993611 772639183 /nfs/dbraw/zinc/63/91/83/772639183.db2.gz PRHVFAWBOXQGHQ-SFYZADRCSA-N -2 3 275.326 1.691 10 0 CDAEHL COc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)c([O-])c1 ZINC000923198606 773653864 /nfs/dbraw/zinc/65/38/64/773653864.db2.gz WSBFJNLRZBKJOC-WHOHXGKFSA-N -2 3 291.303 1.240 10 0 CDAEHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(C(F)F)ccc1F ZINC001468541767 970174201 /nfs/dbraw/zinc/17/42/01/970174201.db2.gz ARJNTVGXTXGAHN-UHFFFAOYSA-N -2 3 288.185 1.150 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H](C)C(=O)[O-] ZINC000133282695 342069954 /nfs/dbraw/zinc/06/99/54/342069954.db2.gz BAQBCEJGUCMFDV-RNFRBKRXSA-N -2 3 293.291 1.352 10 0 CDAEHL O=S(=O)([N-]c1c([O-])cccc1F)N1CCCC1 ZINC000608342185 345727162 /nfs/dbraw/zinc/72/71/62/345727162.db2.gz SQQVBOWAPXVWPR-UHFFFAOYSA-N -2 3 260.290 1.284 10 0 CDAEHL O=C([O-])[C@@H]1CCCCN1c1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000057342884 304106946 /nfs/dbraw/zinc/10/69/46/304106946.db2.gz XHSMLADOPOESNU-LURJTMIESA-N -2 3 291.229 1.232 10 0 CDAEHL O=c1cc(/C=C\c2ccc([O-])c(Cl)c2)nc2nc[n-]n21 ZINC000436935797 361613410 /nfs/dbraw/zinc/61/34/10/361613410.db2.gz XKELQKWSOFNCFS-IWQZZHSRSA-N -2 3 288.694 1.947 10 0 CDAEHL CO[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC000630308941 368690934 /nfs/dbraw/zinc/69/09/34/368690934.db2.gz GBPWKFKLNYJCKA-ZUZCIYMTSA-N -2 3 293.319 1.405 10 0 CDAEHL Cc1nc(=NC(=O)c2cc3cc(Cl)sc3[n-]2)[n-]n1C ZINC000344556240 376537612 /nfs/dbraw/zinc/53/76/12/376537612.db2.gz IVQJBRRACMFELC-UHFFFAOYSA-N -2 3 295.755 1.994 10 0 CDAEHL CC[C@H](C)[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022176923 171371064 /nfs/dbraw/zinc/37/10/64/171371064.db2.gz AVMJALQEFFBKRC-WRWORJQWSA-N -2 3 267.281 1.327 10 0 CDAEHL Cc1ccc(N(CCC(=O)[O-])C(=O)c2cnn[n-]2)cc1 ZINC000071215079 176086417 /nfs/dbraw/zinc/08/64/17/176086417.db2.gz KTIFNSICZKLIST-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL Cc1ccc(N(CCC(=O)[O-])C(=O)c2c[n-]nn2)cc1 ZINC000071215079 176086418 /nfs/dbraw/zinc/08/64/18/176086418.db2.gz KTIFNSICZKLIST-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL Cc1ccc(N(CCC(=O)[O-])C(=O)c2cn[n-]n2)cc1 ZINC000071215079 176086419 /nfs/dbraw/zinc/08/64/19/176086419.db2.gz KTIFNSICZKLIST-UHFFFAOYSA-N -2 3 274.280 1.235 10 0 CDAEHL CCOC(=O)c1c[n-]n(-c2ccc(C(=O)[O-])cc2)c1=O ZINC000049552149 424419122 /nfs/dbraw/zinc/41/91/22/424419122.db2.gz CZAMXQYPFOPXPJ-UHFFFAOYSA-N -2 3 276.248 1.453 10 0 CDAEHL COc1cc(OC)cc(-c2noc([N-][C@@H](C)C(=O)[O-])n2)c1 ZINC000662878473 424539324 /nfs/dbraw/zinc/53/93/24/424539324.db2.gz SYRLSQORVIULSH-ZETCQYMHSA-N -2 3 293.279 1.639 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000530150722 271116887 /nfs/dbraw/zinc/11/68/87/271116887.db2.gz XOICEYWKUPJOHC-BBBLOLIVSA-N -2 3 299.348 1.692 10 0 CDAEHL CCc1[n-][nH]c(=NC(=O)N=c2ncn(C(C)(C)C)[n-]2)c1C ZINC000558407365 290391394 /nfs/dbraw/zinc/39/13/94/290391394.db2.gz QAUKXHZMGHYCND-UHFFFAOYSA-N -2 3 291.359 1.115 10 0 CDAEHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000570790138 294307537 /nfs/dbraw/zinc/30/75/37/294307537.db2.gz AACSRWMJNMFYAE-GZMMTYOYSA-N -2 3 285.321 1.304 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H](C)CCC(=O)[O-] ZINC000061593704 521615994 /nfs/dbraw/zinc/61/59/94/521615994.db2.gz BYEDSYZPKLTMGB-ZETCQYMHSA-N -2 3 259.331 1.327 10 0 CDAEHL CCN(C(=O)c1ccc([O-])cc1)[C@@H](C)CC(=O)[O-] ZINC000061177827 520088309 /nfs/dbraw/zinc/08/83/09/520088309.db2.gz HNBGDCQPXCGCKT-VIFPVBQESA-N -2 3 251.282 1.718 10 0 CDAEHL CCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])o1 ZINC000061593818 523095790 /nfs/dbraw/zinc/09/57/90/523095790.db2.gz ZGUNMLACWFPZGS-UHFFFAOYSA-N -2 3 255.255 1.034 10 0 CDAEHL Cc1c([O-])nc(-c2cccc3cccnc32)[n-]c1=O ZINC000069500724 525881486 /nfs/dbraw/zinc/88/14/86/525881486.db2.gz OIEBQTZRBFMELN-UHFFFAOYSA-N -2 3 253.261 1.999 10 0 CDAEHL Cc1nc(CC[C@@H]2CCCCO2)[n-]c(=O)c1C(=O)[O-] ZINC000069394787 526831832 /nfs/dbraw/zinc/83/18/32/526831832.db2.gz XFHZVEIBNKGTRU-VIFPVBQESA-N -2 3 266.297 1.278 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(CC3CC3)CC2)c1 ZINC000902987183 625729809 /nfs/dbraw/zinc/72/98/09/625729809.db2.gz DXVQCHLWZORJOH-UHFFFAOYSA-N -2 3 299.348 1.836 10 0 CDAEHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000817420037 774320832 /nfs/dbraw/zinc/32/08/32/774320832.db2.gz KHDZJZMOFPPGSG-YFKPBYRVSA-N -2 3 259.274 1.018 10 0 CDAEHL CC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCC1 ZINC000871993679 778329305 /nfs/dbraw/zinc/32/93/05/778329305.db2.gz NHKJVNUENWKKBQ-UHFFFAOYSA-N -2 3 259.283 1.199 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]C/C=C/C(=O)[O-])c(F)cc1F ZINC000788447092 778902445 /nfs/dbraw/zinc/90/24/45/778902445.db2.gz OWOPOURFGOSPGK-NSCUHMNNSA-N -2 3 291.275 1.192 10 0 CDAEHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000788445418 779028666 /nfs/dbraw/zinc/02/86/66/779028666.db2.gz FEZOBRZWWPYUNG-UPHRSURJSA-N -2 3 295.238 1.023 10 0 CDAEHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000133212197 342070035 /nfs/dbraw/zinc/07/00/35/342070035.db2.gz REEFSYITAGQFFN-BDAKNGLRSA-N -2 3 289.328 1.522 10 0 CDAEHL O=C([O-])[C@H]1CCCC[C@@H]1NC(=O)c1ccc([O-])cc1 ZINC000085322572 179016133 /nfs/dbraw/zinc/01/61/33/179016133.db2.gz ZEVAPNHEAKPYRU-RYUDHWBXSA-N -2 3 263.293 1.765 10 0 CDAEHL O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085327024 179018673 /nfs/dbraw/zinc/01/86/73/179018673.db2.gz MKECURYCIUODFI-HTQZYQBOSA-N -2 3 275.351 1.280 10 0 CDAEHL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)CC1CC1 ZINC000086496729 179302439 /nfs/dbraw/zinc/30/24/39/179302439.db2.gz RSQNDDSXDPWWTG-UHFFFAOYSA-N -2 3 273.285 1.676 10 0 CDAEHL C[C@@H](F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000414345008 241161581 /nfs/dbraw/zinc/16/15/81/241161581.db2.gz SJWOFKMOOGWXMJ-SSDOTTSWSA-N -2 3 293.291 1.550 10 0 CDAEHL Cc1noc(=NC([O-])=C2C[C@]2(F)c2ccccc2)[n-]1 ZINC000334563579 379038582 /nfs/dbraw/zinc/03/85/82/379038582.db2.gz NICQASDFWQQPBN-GWCFXTLKSA-N -2 3 261.256 1.623 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403776105 390953337 /nfs/dbraw/zinc/95/33/37/390953337.db2.gz DZHGRQGGLCJTIL-XHNCKOQMSA-N -2 3 285.321 1.445 10 0 CDAEHL COc1cccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000647748203 391897143 /nfs/dbraw/zinc/89/71/43/391897143.db2.gz SVVFYJHADUMSAB-ONGXEEELSA-N -2 3 293.319 1.584 10 0 CDAEHL CC(C)C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000020557943 171250675 /nfs/dbraw/zinc/25/06/75/171250675.db2.gz KXXIWGYYNQWMBZ-UHFFFAOYSA-N -2 3 277.367 1.310 10 0 CDAEHL CC(C)CNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040529364 174316200 /nfs/dbraw/zinc/31/62/00/174316200.db2.gz NKHRZFZZSYWZKE-UHFFFAOYSA-N -2 3 252.270 1.868 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(OC)cc1[O-] ZINC000044612347 175217241 /nfs/dbraw/zinc/21/72/41/175217241.db2.gz AZAJBZQNGLWEIY-SNVBAGLBSA-N -2 3 267.281 1.336 10 0 CDAEHL O=C([O-])c1cc(F)c(F)cc1NC(=O)c1cnn[n-]1 ZINC000071215147 176086165 /nfs/dbraw/zinc/08/61/65/176086165.db2.gz OVRYDKMIPYGHOS-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL O=C([O-])c1cc(F)c(F)cc1NC(=O)c1c[n-]nn1 ZINC000071215147 176086167 /nfs/dbraw/zinc/08/61/67/176086167.db2.gz OVRYDKMIPYGHOS-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL O=C([O-])c1cc(F)c(F)cc1NC(=O)c1cn[n-]n1 ZINC000071215147 176086169 /nfs/dbraw/zinc/08/61/69/176086169.db2.gz OVRYDKMIPYGHOS-UHFFFAOYSA-N -2 3 268.179 1.033 10 0 CDAEHL COCCS(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000230027334 292615434 /nfs/dbraw/zinc/61/54/34/292615434.db2.gz HDMZAGGFKDRFRF-UHFFFAOYSA-N -2 3 293.728 1.426 10 0 CDAEHL CC1(c2nc(=NC(=O)c3csc(=O)[n-]3)s[n-]2)CC1 ZINC000529697083 271013390 /nfs/dbraw/zinc/01/33/90/271013390.db2.gz GLPVPYDKZRTEEE-UHFFFAOYSA-N -2 3 282.350 1.426 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000555879323 290243029 /nfs/dbraw/zinc/24/30/29/290243029.db2.gz FZCXJOKPOOFDCB-UHFFFAOYSA-N -2 3 277.317 1.698 10 0 CDAEHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000576282530 317110354 /nfs/dbraw/zinc/11/03/54/317110354.db2.gz IUBCBHKJHRDFJC-KWQFWETISA-N -2 3 273.310 1.201 10 0 CDAEHL Cc1ccc(C(=O)N2CC[C@@H]([C@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001772383700 1160188533 /nfs/dbraw/zinc/18/85/33/1160188533.db2.gz SWUTVAMWCFVBHV-SKDRFNHKSA-N -2 3 281.283 1.585 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@H](C)CCC(=O)[O-] ZINC000061593754 519919268 /nfs/dbraw/zinc/91/92/68/519919268.db2.gz IGEHBBPENLYPMS-SSDOTTSWSA-N -2 3 259.331 1.498 10 0 CDAEHL CCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)CC(=O)[O-] ZINC000061177850 520088023 /nfs/dbraw/zinc/08/80/23/520088023.db2.gz LUZXJTGFHGLAJC-MRVPVSSYSA-N -2 3 267.281 1.423 10 0 CDAEHL CCN(C(=O)c1cccc([O-])c1)[C@H](C)CC(=O)[O-] ZINC000061178140 520100634 /nfs/dbraw/zinc/10/06/34/520100634.db2.gz GADJCLFTOUIHHP-SECBINFHSA-N -2 3 251.282 1.718 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000062767222 523092964 /nfs/dbraw/zinc/09/29/64/523092964.db2.gz YGRRTAWIGLXJFQ-RKDXNWHRSA-N -2 3 285.369 1.717 10 0 CDAEHL Cc1nc(C=Cc2cn[nH]c2)[n-]c(=O)c1CC(=O)[O-] ZINC000794711934 782930126 /nfs/dbraw/zinc/93/01/26/782930126.db2.gz GPMZAGYPJWUPPD-NSCUHMNNSA-N -2 3 260.253 1.011 10 0 CDAEHL O=C(CCCc1nnn[n-]1)Nc1ccc(F)cc1[O-] ZINC001638507374 1166851370 /nfs/dbraw/zinc/85/13/70/1166851370.db2.gz RVMIEJQBSBBDQP-UHFFFAOYSA-N -2 3 265.248 1.006 10 0 CDAEHL O=C(CCCc1nn[n-]n1)Nc1ccc(F)cc1[O-] ZINC001638507374 1166851376 /nfs/dbraw/zinc/85/13/76/1166851376.db2.gz RVMIEJQBSBBDQP-UHFFFAOYSA-N -2 3 265.248 1.006 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC001362543441 971385982 /nfs/dbraw/zinc/38/59/82/971385982.db2.gz RQVPPCWBAWYLFF-SECBINFHSA-N -2 3 291.286 1.064 10 0 CDAEHL O=C(c1ccc(F)c([O-])c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001362543441 971385988 /nfs/dbraw/zinc/38/59/88/971385988.db2.gz RQVPPCWBAWYLFF-SECBINFHSA-N -2 3 291.286 1.064 10 0 CDAEHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000133300550 342069956 /nfs/dbraw/zinc/06/99/56/342069956.db2.gz AINDDZDONTZILS-BQBZGAKWSA-N -2 3 293.291 1.352 10 0 CDAEHL Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc2ccsc2[n-]1 ZINC000617291359 345130680 /nfs/dbraw/zinc/13/06/80/345130680.db2.gz CSESIUPSSYNARO-UHFFFAOYSA-N -2 3 287.348 1.910 10 0 CDAEHL O=c1[nH]cc(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000571622622 362707641 /nfs/dbraw/zinc/70/76/41/362707641.db2.gz RLWXRWYBDMFJMR-UHFFFAOYSA-N -2 3 290.297 1.494 10 0 CDAEHL O=C([O-])c1ccc([O-])c(-n2nc3ccccc3n2)c1 ZINC000039367615 391700851 /nfs/dbraw/zinc/70/08/51/391700851.db2.gz LPEULOGWWVVLPN-UHFFFAOYSA-N -2 3 255.233 1.824 10 0 CDAEHL CC(C)(C)CCS(=O)(=O)[N-]Cc1nocc1C(=O)[O-] ZINC000656164511 413065187 /nfs/dbraw/zinc/06/51/87/413065187.db2.gz DRDONPPIJYFSJR-UHFFFAOYSA-N -2 3 290.341 1.228 10 0 CDAEHL CC[C@@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022144731 171356251 /nfs/dbraw/zinc/35/62/51/171356251.db2.gz KWIKVOKDODELQZ-KCJUWKMLSA-N -2 3 251.282 1.621 10 0 CDAEHL CCn1cc(NC(=O)Nc2ccc(C(=O)[O-])cc2[O-])cn1 ZINC000040578039 174342803 /nfs/dbraw/zinc/34/28/03/174342803.db2.gz NSHSLWKOGZNBLC-UHFFFAOYSA-N -2 3 290.279 1.951 10 0 CDAEHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)CC(=O)[O-] ZINC000147288367 289067060 /nfs/dbraw/zinc/06/70/60/289067060.db2.gz TZOQTGFWINMMMT-SSDOTTSWSA-N -2 3 293.291 1.354 10 0 CDAEHL O=C1O[C@@H](c2c([O-])[nH]c(=S)[n-]c2=O)c2ccccc21 ZINC000005908725 304695046 /nfs/dbraw/zinc/69/50/46/304695046.db2.gz IJEQVKRHDHOUNQ-MRVPVSSYSA-N -2 3 276.273 1.398 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000569443741 316781018 /nfs/dbraw/zinc/78/10/18/316781018.db2.gz UEFASXXTILKULL-RNFRBKRXSA-N -2 3 292.744 1.123 10 0 CDAEHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)o1 ZINC000055312795 524588584 /nfs/dbraw/zinc/58/85/84/524588584.db2.gz ZOHCVSVKWUEFOP-UHFFFAOYSA-N -2 3 299.304 1.666 10 0 CDAEHL [O-]c1cccnc1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000340900471 526375602 /nfs/dbraw/zinc/37/56/02/526375602.db2.gz ITAKBHUOGJXMKF-UHFFFAOYSA-N -2 3 285.332 1.735 10 0 CDAEHL O=C([O-])CON=C([O-])Nc1ccc(C(F)(F)F)cc1 ZINC000069073354 527614685 /nfs/dbraw/zinc/61/46/85/527614685.db2.gz CPNORACZLBJLIA-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL O=C([O-])CO[N-]C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000069073354 527614689 /nfs/dbraw/zinc/61/46/89/527614689.db2.gz CPNORACZLBJLIA-UHFFFAOYSA-N -2 3 278.186 1.843 10 0 CDAEHL O=C(c1ccc([O-])c(F)c1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221273 621374025 /nfs/dbraw/zinc/37/40/25/621374025.db2.gz LXWUIIIMIBPRKM-SECBINFHSA-N -2 3 291.282 1.590 10 0 CDAEHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])cn2)c1 ZINC001633033740 1166395466 /nfs/dbraw/zinc/39/54/66/1166395466.db2.gz HDGLHTXAMPHJNE-UHFFFAOYSA-N -2 3 272.260 1.948 10 0 CDAEHL CC(C)(CCC[N-]S(=O)(=O)C(F)F)C(=O)[O-] ZINC000817419655 930531955 /nfs/dbraw/zinc/53/19/55/930531955.db2.gz FQXIRWQBYKNOAH-UHFFFAOYSA-N -2 3 259.274 1.019 10 0 CDAEHL Cc1cccc([O-])c1C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001434408131 961322311 /nfs/dbraw/zinc/32/23/11/961322311.db2.gz UNGRSDKSZWMQGN-VIFPVBQESA-N -2 3 275.308 1.631 10 0 CDAEHL C[C@@H]1CCCN(C(=O)c2ccc(N)cc2[O-])[C@@H]1C(=O)[O-] ZINC000849365993 969944687 /nfs/dbraw/zinc/94/46/87/969944687.db2.gz JFZOWSYBPQWWPN-PELKAZGASA-N -2 3 278.308 1.300 10 0 CDAEHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000343735751 539078095 /nfs/dbraw/zinc/07/80/95/539078095.db2.gz RANYWIAGWNYRAJ-BQBZGAKWSA-N -2 3 275.230 1.521 10 0 CDAEHL CCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000037592364 356913342 /nfs/dbraw/zinc/91/33/42/356913342.db2.gz MJAIMIFPNXLWKO-UHFFFAOYSA-N -2 3 273.310 1.632 10 0 CDAEHL O=C([O-])CCCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263576635 371024829 /nfs/dbraw/zinc/02/48/29/371024829.db2.gz QQCUAEPOPLZXHQ-UHFFFAOYSA-N -2 3 277.320 1.866 10 0 CDAEHL Nc1ccc(I)c([O-])c1CC(=O)[O-] ZINC000575719573 374025610 /nfs/dbraw/zinc/02/56/10/374025610.db2.gz XCXBKSYEVYDTMC-UHFFFAOYSA-N -2 3 293.060 1.206 10 0 CDAEHL CCc1cc(=O)[n-]c(CN(C)[C@@H](CC)C(=O)[O-])n1 ZINC000650516552 398028782 /nfs/dbraw/zinc/02/87/82/398028782.db2.gz FLKIJBFVGHCWRU-VIFPVBQESA-N -2 3 253.302 1.040 10 0 CDAEHL CCc1ccc([O-])c(C(=O)NCc2ncccc2[O-])c1 ZINC000352518037 155245008 /nfs/dbraw/zinc/24/50/08/155245008.db2.gz UTPIETQGWFKFIF-UHFFFAOYSA-N -2 3 272.304 1.985 10 0 CDAEHL Cc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663153637 414005692 /nfs/dbraw/zinc/00/56/92/414005692.db2.gz QVJIHTRXBJCBEM-LBPRGKRZSA-N -2 3 277.320 1.931 10 0 CDAEHL COC[C@H](C)S(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000274931476 293064851 /nfs/dbraw/zinc/06/48/51/293064851.db2.gz PDLILSKEWLYGPT-QMMMGPOBSA-N -2 3 273.310 1.161 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)o1 ZINC000566173644 316501618 /nfs/dbraw/zinc/50/16/18/316501618.db2.gz LNMJNAQJOKXSJM-SECBINFHSA-N -2 3 275.326 1.366 10 0 CDAEHL CC(C)CC[C@@H](C)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000069236244 519683099 /nfs/dbraw/zinc/68/30/99/519683099.db2.gz CQIDAUHBLWAJLJ-MRVPVSSYSA-N -2 3 273.358 1.745 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1S[C@@H](CC(=O)[O-])C(F)(F)F ZINC000062767173 519918925 /nfs/dbraw/zinc/91/89/25/519918925.db2.gz IFWGLDOULLOGIG-YFKPBYRVSA-N -2 3 299.274 1.650 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H](C)CCC(=O)[O-] ZINC000061593705 521616211 /nfs/dbraw/zinc/61/62/11/521616211.db2.gz BYEDSYZPKLTMGB-SSDOTTSWSA-N -2 3 259.331 1.327 10 0 CDAEHL C[C@@H]1CCCC[C@H]1Cn1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591923 524159162 /nfs/dbraw/zinc/15/91/62/524159162.db2.gz WLBZKVROMCSNJG-BDAKNGLRSA-N -2 3 285.369 1.574 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@]12C[C@H]1CCCC2 ZINC000903038925 625788478 /nfs/dbraw/zinc/78/84/78/625788478.db2.gz OMIWPFYDZSDFJV-RNCFNFMXSA-N -2 3 299.348 1.836 10 0 CDAEHL C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000903024716 625800875 /nfs/dbraw/zinc/80/08/75/625800875.db2.gz NEELIHNNJCWFMK-IFFSRLJSSA-N -2 3 299.348 1.548 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)o1 ZINC000829854969 784152282 /nfs/dbraw/zinc/15/22/82/784152282.db2.gz OTOCEMYPJKMSCL-VIFPVBQESA-N -2 3 273.310 1.120 10 0 CDAEHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871994295 787429185 /nfs/dbraw/zinc/42/91/85/787429185.db2.gz UPNUOCRAWBHMFY-KYZUINATSA-N -2 3 287.337 1.835 10 0 CDAEHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H](C)C(=O)[O-] ZINC000133300289 342069938 /nfs/dbraw/zinc/06/99/38/342069938.db2.gz AINDDZDONTZILS-NKWVEPMBSA-N -2 3 293.291 1.352 10 0 CDAEHL CCCc1cc(C(=O)[N-]c2n[n-]c(OC)n2)no1 ZINC000295013243 199300009 /nfs/dbraw/zinc/30/00/09/199300009.db2.gz UAIWYYWMXZCIOV-UHFFFAOYSA-N -2 3 251.246 1.006 10 0 CDAEHL O=C([O-])c1ccc(-c2nccn2CCCc2nnn[n-]2)cc1 ZINC000072165729 356639418 /nfs/dbraw/zinc/63/94/18/356639418.db2.gz QARIURLBOVVYKG-UHFFFAOYSA-N -2 3 298.306 1.394 10 0 CDAEHL O=C([O-])c1ccc(-c2nccn2CCCc2nn[n-]n2)cc1 ZINC000072165729 356639421 /nfs/dbraw/zinc/63/94/21/356639421.db2.gz QARIURLBOVVYKG-UHFFFAOYSA-N -2 3 298.306 1.394 10 0 CDAEHL O=C(Nc1ccncc1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000436920072 361608920 /nfs/dbraw/zinc/60/89/20/361608920.db2.gz QEDMQZHDPHEEGI-UHFFFAOYSA-N -2 3 282.658 1.960 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000331275068 376765428 /nfs/dbraw/zinc/76/54/28/376765428.db2.gz XETSPALNJOTUOV-UHFFFAOYSA-N -2 3 273.354 1.867 10 0 CDAEHL O=S(=O)([N-]c1cccc([O-])c1F)c1cnc2n1CCC2 ZINC000525866731 391744975 /nfs/dbraw/zinc/74/49/75/391744975.db2.gz VSMQCTOOCUQUNI-UHFFFAOYSA-N -2 3 297.311 1.475 10 0 CDAEHL CCCc1nc(C(=O)[N-]c2n[n-]c(OC)n2)co1 ZINC000353959958 156185811 /nfs/dbraw/zinc/18/58/11/156185811.db2.gz HQHUOGWFQQFEAG-UHFFFAOYSA-N -2 3 251.246 1.006 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(C)ccc1[O-] ZINC000044611995 175217541 /nfs/dbraw/zinc/21/75/41/175217541.db2.gz CKSGCSIKXJZLPB-SNVBAGLBSA-N -2 3 251.282 1.636 10 0 CDAEHL Cc1nc([C@H]2CCC[C@H](C)C2)[n-]c(=O)c1CC(=O)[O-] ZINC000044981332 175283063 /nfs/dbraw/zinc/28/30/63/175283063.db2.gz VUDFWVBMYAXCTQ-WPRPVWTQSA-N -2 3 264.325 1.999 10 0 CDAEHL C[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C(=O)[O-] ZINC000235408714 280127241 /nfs/dbraw/zinc/12/72/41/280127241.db2.gz PMULNVKHYUZPAQ-SKDRFNHKSA-N -2 3 263.293 1.718 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000061216052 521196728 /nfs/dbraw/zinc/19/67/28/521196728.db2.gz BYDKEGMOZCADDA-MRVPVSSYSA-N -2 3 276.296 1.141 10 0 CDAEHL CCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000061214836 521196778 /nfs/dbraw/zinc/19/67/78/521196778.db2.gz SMBBRLDWBABVGY-SECBINFHSA-N -2 3 251.282 1.575 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H](CC)CC(=O)[O-] ZINC000062767133 521615976 /nfs/dbraw/zinc/61/59/76/521615976.db2.gz FBBGSQQTTJJXHG-SSDOTTSWSA-N -2 3 259.331 1.327 10 0 CDAEHL C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000052276369 525330889 /nfs/dbraw/zinc/33/08/89/525330889.db2.gz AMUKLRLMTGOAHE-VDTYLAMSSA-N -2 3 261.324 1.133 10 0 CDAEHL CN(C(=O)Cc1ccc([O-])c(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909990016 628800229 /nfs/dbraw/zinc/80/02/29/628800229.db2.gz SBUKDPJDWZHMOZ-AOOOYVTPSA-N -2 3 281.283 1.395 10 0 CDAEHL O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1c1nnn[n-]1 ZINC000720636759 790392597 /nfs/dbraw/zinc/39/25/97/790392597.db2.gz VAIIUVXLHKTAAE-VIFPVBQESA-N -2 3 293.714 1.536 10 0 CDAEHL O=C(c1cc(Cl)ccc1[O-])N1CCC[C@H]1c1nn[n-]n1 ZINC000720636759 790392611 /nfs/dbraw/zinc/39/26/11/790392611.db2.gz VAIIUVXLHKTAAE-VIFPVBQESA-N -2 3 293.714 1.536 10 0 CDAEHL O=C(Nc1cc(Cl)ccc1[O-])c1c[n-]ncc1=O ZINC001295350292 954649324 /nfs/dbraw/zinc/64/93/24/954649324.db2.gz CWMUXAUXHZHXSB-UHFFFAOYSA-N -2 3 265.656 1.794 10 0 CDAEHL Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000617290446 345129312 /nfs/dbraw/zinc/12/93/12/345129312.db2.gz MVWZFNHXCGQRAD-UHFFFAOYSA-N -2 3 298.306 1.350 10 0 CDAEHL Cn1c(C2CC2)n[n-]c1=NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000617290446 345129314 /nfs/dbraw/zinc/12/93/14/345129314.db2.gz MVWZFNHXCGQRAD-UHFFFAOYSA-N -2 3 298.306 1.350 10 0 CDAEHL Cc1cccc(C(P(=O)([O-])[O-])P(=O)([O-])[O-])c1 ZINC000584607107 346498548 /nfs/dbraw/zinc/49/85/48/346498548.db2.gz DIWOOJSRUGWBON-UHFFFAOYSA-N -4 3 266.126 1.349 10 0 CDAEHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)CCCF ZINC000274909259 365851450 /nfs/dbraw/zinc/85/14/50/365851450.db2.gz KFXVUVFJXZVNKM-UHFFFAOYSA-N -2 3 297.254 1.764 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)oc1C(=O)[O-] ZINC000634654272 356643496 /nfs/dbraw/zinc/64/34/96/356643496.db2.gz CUYVHNIBABAYJN-NOZJJQNGSA-N -2 3 299.348 1.897 10 0 CDAEHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000656161722 413065206 /nfs/dbraw/zinc/06/52/06/413065206.db2.gz HYJCKFSTDSPHMG-MRVPVSSYSA-N -2 3 297.254 1.056 10 0 CDAEHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C2CCCC2)s1 ZINC000022152736 171359606 /nfs/dbraw/zinc/35/96/06/171359606.db2.gz UKJXCENLXWZDCL-UHFFFAOYSA-N -2 3 289.378 1.596 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])o1 ZINC000656725905 413604447 /nfs/dbraw/zinc/60/44/47/413604447.db2.gz WKVXUCXQKNQSNX-JTQLQIEISA-N -2 3 279.289 1.069 10 0 CDAEHL Cc1ccc(C(=O)N[C@](C)(CCF)C(=O)[O-])c([O-])c1 ZINC000659216768 413613843 /nfs/dbraw/zinc/61/38/43/413613843.db2.gz SHOKXRYJAPTCIB-CYBMUJFWSA-N -2 3 269.272 1.633 10 0 CDAEHL CC1(C)CN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CCO1 ZINC000040589279 174346174 /nfs/dbraw/zinc/34/61/74/174346174.db2.gz OUVKSSOVZFIVMF-UHFFFAOYSA-N -2 3 294.307 1.733 10 0 CDAEHL CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000045134979 175312463 /nfs/dbraw/zinc/31/24/63/175312463.db2.gz FNVTVZJEFXICNG-SSDOTTSWSA-N -2 3 275.351 1.523 10 0 CDAEHL CCc1ncc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000547933430 289820633 /nfs/dbraw/zinc/82/06/33/289820633.db2.gz SGQLMZAZFSRQRO-SSDOTTSWSA-N -2 3 292.382 1.237 10 0 CDAEHL O=C([O-])C1(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000558384167 290389125 /nfs/dbraw/zinc/38/91/25/290389125.db2.gz BBZWXAIKWGMOIZ-UHFFFAOYSA-N -2 3 255.657 1.849 10 0 CDAEHL COc1ccc([O-])c(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000578550960 323966675 /nfs/dbraw/zinc/96/66/75/323966675.db2.gz UKKYXQQZKPFVOX-LBPRGKRZSA-N -2 3 295.335 1.972 10 0 CDAEHL CCN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C)CC(=O)[O-] ZINC000061182869 521457569 /nfs/dbraw/zinc/45/75/69/521457569.db2.gz RNIGCBOUTLNCGC-MRVPVSSYSA-N -2 3 295.364 1.670 10 0 CDAEHL C[C@@H]1CCCC[C@@H]1Cn1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591921 524126728 /nfs/dbraw/zinc/12/67/28/524126728.db2.gz WLBZKVROMCSNJG-RKDXNWHRSA-N -2 3 285.369 1.574 10 0 CDAEHL Cc1csc(Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)n1 ZINC000055269583 526368095 /nfs/dbraw/zinc/36/80/95/526368095.db2.gz ZOTNJJWHABFPPC-UHFFFAOYSA-N -2 3 279.321 1.061 10 0 CDAEHL COc1ccc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001649255245 1158586466 /nfs/dbraw/zinc/58/64/66/1158586466.db2.gz PWHRWSKLONAKDU-UFBFGSQYSA-N -2 3 297.282 1.286 10 0 CDAEHL COc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC000695040615 898872036 /nfs/dbraw/zinc/87/20/36/898872036.db2.gz VUWYBNLUGOHLND-SECBINFHSA-N -2 3 277.276 1.304 10 0 CDAEHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)CC(=O)[O-] ZINC000147276242 362416345 /nfs/dbraw/zinc/41/63/45/362416345.db2.gz WAERTOPUFSZCOX-SSDOTTSWSA-N -2 3 293.291 1.354 10 0 CDAEHL C[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)CC(=O)[O-] ZINC000275032791 365899327 /nfs/dbraw/zinc/89/93/27/365899327.db2.gz QFAACRNDAQDDMY-SSDOTTSWSA-N -2 3 292.744 1.124 10 0 CDAEHL CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114100 360266540 /nfs/dbraw/zinc/26/65/40/360266540.db2.gz NZZVVYRQARSVQV-QMMMGPOBSA-N -2 3 289.328 1.847 10 0 CDAEHL O=C(NC1(c2nnn[n-]2)CCCC1)c1cc(F)ccc1[O-] ZINC000436534333 361528095 /nfs/dbraw/zinc/52/80/95/361528095.db2.gz HOINUYIQLZEKAN-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(F)ccc1[O-] ZINC000436534333 361528101 /nfs/dbraw/zinc/52/81/01/361528101.db2.gz HOINUYIQLZEKAN-UHFFFAOYSA-N -2 3 291.286 1.244 10 0 CDAEHL Cc1noc(=NC([O-])=C2C[C@]2(F)c2ccccc2)[n-]1 ZINC000334563583 379039967 /nfs/dbraw/zinc/03/99/67/379039967.db2.gz NICQASDFWQQPBN-MFKMUULPSA-N -2 3 261.256 1.623 10 0 CDAEHL Cc1nc(S(=O)(=O)[N-]c2cccc([O-])c2F)c[nH]1 ZINC000131510811 393048251 /nfs/dbraw/zinc/04/82/51/393048251.db2.gz JVPUXTUCENTSOW-UHFFFAOYSA-N -2 3 271.273 1.364 10 0 CDAEHL CC[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000020557171 171250299 /nfs/dbraw/zinc/25/02/99/171250299.db2.gz QORSTWCWAOPRFK-UHFFFAOYSA-N -2 3 298.147 1.990 10 0 CDAEHL C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1[O-])[C@H]1CCCO1 ZINC000040576400 174341874 /nfs/dbraw/zinc/34/18/74/174341874.db2.gz JVBQSADLCRMNFQ-QPUJVOFHSA-N -2 3 294.307 1.779 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCC[C@@H]2CCCO2)c([O-])c1 ZINC000044511190 175187793 /nfs/dbraw/zinc/18/77/93/175187793.db2.gz SUDDWQWOAIGKNU-JTQLQIEISA-N -2 3 294.307 1.781 10 0 CDAEHL O=C([O-])c1cn(C2CC2)c2cc(F)c([O-])cc2c1=O ZINC000077286234 177248742 /nfs/dbraw/zinc/24/87/42/177248742.db2.gz XNMDACWXMKPGAG-UHFFFAOYSA-N -2 3 263.224 1.879 10 0 in-vitro CDAEHL CCCn1c(=O)[n-]nc1S[C@@H]1C[C@@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767156 521616264 /nfs/dbraw/zinc/61/62/64/521616264.db2.gz MQJNHFNDXHWKJK-LPEHRKFASA-N -2 3 299.396 1.963 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1cc(Cl)ccc1C(=O)[O-] ZINC000062787849 527021486 /nfs/dbraw/zinc/02/14/86/527021486.db2.gz SKUPDJRREBNPNV-UHFFFAOYSA-N -2 3 285.712 1.611 10 0 CDAEHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCC[C@H]23)c1 ZINC000712434915 811824405 /nfs/dbraw/zinc/82/44/05/811824405.db2.gz YKVUHUACMLGQKG-INTQDDNPSA-N -2 3 299.348 1.835 10 0 CDAEHL C[C@@]1(C(=O)[O-])CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000711578287 813493045 /nfs/dbraw/zinc/49/30/45/813493045.db2.gz DXAIPZPSLLNNKF-ZDUSSCGKSA-N -2 3 299.710 1.361 10 0 CDAEHL CCCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992920 814355311 /nfs/dbraw/zinc/35/53/11/814355311.db2.gz HKYOBJLTKRAGQN-UHFFFAOYSA-N -2 3 261.299 1.446 10 0 CDAEHL CCC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994387 817311326 /nfs/dbraw/zinc/31/13/26/817311326.db2.gz ZHNJNSDSPWDINS-UHFFFAOYSA-N -2 3 261.299 1.445 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ncsc1C1CC1 ZINC001363331149 972089305 /nfs/dbraw/zinc/08/93/05/972089305.db2.gz VKJZISFNXDJFOP-UHFFFAOYSA-N -2 3 292.320 1.152 10 0 CDAEHL O=c1cc(CCc2ccc(OC(F)F)cc2)[n-]nc1[O-] ZINC000205739239 342439992 /nfs/dbraw/zinc/43/99/92/342439992.db2.gz QTPWYXQCDCPMMG-UHFFFAOYSA-N -2 3 282.246 1.450 10 0 CDAEHL Cc1ccccc1C(P(=O)([O-])[O-])P(=O)([O-])[O-] ZINC000584650728 346506690 /nfs/dbraw/zinc/50/66/90/346506690.db2.gz HHWDGKGCRYNHTG-UHFFFAOYSA-N -4 3 266.126 1.349 10 0 CDAEHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000079481927 356998097 /nfs/dbraw/zinc/99/80/97/356998097.db2.gz AUKNJTKVFSIURP-CYBMUJFWSA-N -2 3 274.280 1.037 10 0 CDAEHL CC(C)c1ccc(C(=O)NCCc2nc(=O)o[n-]2)c([O-])c1 ZINC000280182067 367296615 /nfs/dbraw/zinc/29/66/15/367296615.db2.gz TUXOFUIXOWCFMG-UHFFFAOYSA-N -2 3 291.307 1.164 10 0 CDAEHL CC(C)Cc1nc(=NCc2ncccc2[O-])s[n-]1 ZINC000359899829 368006331 /nfs/dbraw/zinc/00/63/31/368006331.db2.gz MIBHZBSBMZMOAH-UHFFFAOYSA-N -2 3 264.354 1.871 10 0 CDAEHL COc1cc(=NC(=O)c2ccc(C)c(C)c2[O-])[n-]n1C ZINC000547492546 369568173 /nfs/dbraw/zinc/56/81/73/369568173.db2.gz AJNDOEBTKUXXSM-UHFFFAOYSA-N -2 3 275.308 1.425 10 0 CDAEHL CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000276322286 193287911 /nfs/dbraw/zinc/28/79/11/193287911.db2.gz OYPAWHZSIFEQBO-BQBZGAKWSA-N -2 3 293.366 1.148 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)C(C)C)cc1C(=O)[O-] ZINC000578353752 372419764 /nfs/dbraw/zinc/41/97/64/372419764.db2.gz VLSGAEQQSDWZRY-QMMMGPOBSA-N -2 3 289.353 1.857 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])o1 ZINC000572045881 377682608 /nfs/dbraw/zinc/68/26/08/377682608.db2.gz ZKZDFYLCAVJASQ-QMMMGPOBSA-N -2 3 275.326 1.367 10 0 CDAEHL CC(C)c1nc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)cs1 ZINC000647780245 390863643 /nfs/dbraw/zinc/86/36/43/390863643.db2.gz SMHGAVQUTYPVNB-UHFFFAOYSA-N -2 3 295.324 1.195 10 0 CDAEHL CSCC[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000021968486 171343830 /nfs/dbraw/zinc/34/38/30/171343830.db2.gz NQJNDGQNHWGUPN-SNVBAGLBSA-N -2 3 269.322 1.328 10 0 CDAEHL Cc1nc(Cc2ccccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000044267702 175157785 /nfs/dbraw/zinc/15/77/85/175157785.db2.gz USCPEUWNQRYNGN-UHFFFAOYSA-N -2 3 292.722 1.950 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000070938369 176013331 /nfs/dbraw/zinc/01/33/31/176013331.db2.gz BMPGGWIHMLEXBM-UHFFFAOYSA-N -2 3 275.301 1.922 10 0 CDAEHL COc1cccc2c(-c3nnn[n-]3)cc(C(=O)[O-])cc12 ZINC000090554960 295332033 /nfs/dbraw/zinc/33/20/33/295332033.db2.gz OIGXNVITPQANGQ-UHFFFAOYSA-N -2 3 270.248 1.727 10 0 CDAEHL COc1cccc2c(-c3nn[n-]n3)cc(C(=O)[O-])cc12 ZINC000090554960 295332035 /nfs/dbraw/zinc/33/20/35/295332035.db2.gz OIGXNVITPQANGQ-UHFFFAOYSA-N -2 3 270.248 1.727 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000062767143 521615919 /nfs/dbraw/zinc/61/59/19/521615919.db2.gz LMWRMSFHMYXRRH-YUMQZZPRSA-N -2 3 271.342 1.327 10 0 CDAEHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000052276355 525499297 /nfs/dbraw/zinc/49/92/97/525499297.db2.gz QXOVGDDFPWJXEU-IYSWYEEDSA-N -2 3 291.275 1.350 10 0 CDAEHL Cc1nc(Cc2cc(F)cc(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000049349622 526926587 /nfs/dbraw/zinc/92/65/87/526926587.db2.gz BHOUFTRXHIIDQL-UHFFFAOYSA-N -2 3 294.257 1.574 10 0 CDAEHL Cc1nc(Cc2cccs2)[n-]c(=O)c1CC(=O)[O-] ZINC000052900875 526929401 /nfs/dbraw/zinc/92/94/01/526929401.db2.gz KWXGIJFKKFVSBB-UHFFFAOYSA-N -2 3 264.306 1.358 10 0 CDAEHL Cc1ccc(C=CS(=O)(=O)[N-]c2nc[n-]n2)cc1 ZINC000733732096 575137260 /nfs/dbraw/zinc/13/72/60/575137260.db2.gz WPMPHTDNRFWBFZ-VOTSOKGWSA-N -2 3 264.310 1.526 10 0 CDAEHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(Cl)ccnc1F ZINC001647868319 1169068928 /nfs/dbraw/zinc/06/89/28/1169068928.db2.gz OCVUDNPSSNZSCR-UHFFFAOYSA-N -2 3 298.661 1.005 10 0 CDAEHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000305881657 820956371 /nfs/dbraw/zinc/95/63/71/820956371.db2.gz BTPWLTONZNYXAS-OWOJBTEDSA-N -2 3 293.703 1.398 10 0 CDAEHL Cc1cc(F)c(S(=O)(=O)[N-]C/C=C\C(=O)[O-])cc1F ZINC000788447243 822493337 /nfs/dbraw/zinc/49/33/37/822493337.db2.gz QZVRAJFTMRRIOM-IHWYPQMZSA-N -2 3 291.275 1.192 10 0 CDAEHL Cc1ccc(C(=O)NCC(C)(C)CC(=O)[O-])c([O-])c1 ZINC000720943677 822547518 /nfs/dbraw/zinc/54/75/18/822547518.db2.gz LQEHFXYQSAVCFY-UHFFFAOYSA-N -2 3 265.309 1.931 10 0 CDAEHL COc1cccc([O-])c1C(=O)N[C@@H](C)c1nn(C)cc1[O-] ZINC001365121453 955619590 /nfs/dbraw/zinc/61/95/90/955619590.db2.gz TVIRQSVBFSEKFL-QMMMGPOBSA-N -2 3 291.307 1.331 10 0 CDAEHL COc1ccc([C@@H]2C[C@H]2CC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000622846695 342261189 /nfs/dbraw/zinc/26/11/89/342261189.db2.gz UXATYFYTRMSLFR-AAEUAGOBSA-N -2 3 299.330 1.745 10 0 CDAEHL COC(=O)CCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000042536279 357071940 /nfs/dbraw/zinc/07/19/40/357071940.db2.gz JUBPIKRGHVFSBF-UHFFFAOYSA-N -2 3 293.728 1.350 10 0 CDAEHL COc1n[n-]c(=NCc2c(F)ccc([O-])c2F)s1 ZINC000357707941 367158133 /nfs/dbraw/zinc/15/81/33/367158133.db2.gz KJPMZRROTXECBP-UHFFFAOYSA-N -2 3 273.264 1.565 10 0 CDAEHL COC(C)(C)CS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000331250380 376804717 /nfs/dbraw/zinc/80/47/17/376804717.db2.gz YQEHMRVNHFKQEN-UHFFFAOYSA-N -2 3 273.354 1.867 10 0 CDAEHL Cc1nc(C=Cc2cncs2)[n-]c(=O)c1CCC(=O)[O-] ZINC000193404096 393179587 /nfs/dbraw/zinc/17/95/87/393179587.db2.gz UYRBWJDZYUEWPN-DUXPYHPUSA-N -2 3 291.332 1.722 10 0 CDAEHL CCCS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000022219669 171377446 /nfs/dbraw/zinc/37/74/46/171377446.db2.gz JCDBQTMNXPJOOJ-UHFFFAOYSA-N -2 3 261.274 1.676 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])s1 ZINC000656725464 413604570 /nfs/dbraw/zinc/60/45/70/413604570.db2.gz WUTBDXFUXBLPFM-JTQLQIEISA-N -2 3 295.357 1.538 10 0 CDAEHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc([O-])cc1 ZINC000038026296 174011733 /nfs/dbraw/zinc/01/17/33/174011733.db2.gz SPLNLCNFIXTZMR-NSHDSACASA-N -2 3 263.293 1.862 10 0 CDAEHL CC(C)N(C)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040532127 174317901 /nfs/dbraw/zinc/31/79/01/174317901.db2.gz OLHCKUCZFVSCSP-UHFFFAOYSA-N -2 3 252.270 1.963 10 0 CDAEHL Cc1nc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c[nH]1 ZINC000131378708 279673386 /nfs/dbraw/zinc/67/33/86/279673386.db2.gz YCTAAANBSMIBDL-UHFFFAOYSA-N -2 3 271.273 1.364 10 0 CDAEHL Cc1ccc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001772383698 1160188455 /nfs/dbraw/zinc/18/84/55/1160188455.db2.gz SWUTVAMWCFVBHV-CABZTGNLSA-N -2 3 281.283 1.585 10 0 CDAEHL CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000054468756 521998027 /nfs/dbraw/zinc/99/80/27/521998027.db2.gz CBQGDHAIERAOOA-MRVPVSSYSA-N -2 3 291.394 1.700 10 0 CDAEHL CC[C@H](c1ccccc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591887 522948859 /nfs/dbraw/zinc/94/88/59/522948859.db2.gz REMIRAUHUQQGIF-SNVBAGLBSA-N -2 3 293.348 1.748 10 0 CDAEHL Cc1cc(Cl)cc(NC(=O)c2cc(=O)[nH][n-]2)c1[O-] ZINC000735117749 575432196 /nfs/dbraw/zinc/43/21/96/575432196.db2.gz FDHLCGPLZGLXRH-UHFFFAOYSA-N -2 3 267.672 1.168 10 0 CDAEHL CC(=O)c1ccc([O-])c(NC(=O)c2cnncc2[O-])c1 ZINC001633033852 1166395685 /nfs/dbraw/zinc/39/56/85/1166395685.db2.gz MCWLXIDQCNDFGF-UHFFFAOYSA-N -2 3 273.248 1.343 10 0 CDAEHL C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993698 826342666 /nfs/dbraw/zinc/34/26/66/826342666.db2.gz NYKWDCNQAZGCCF-QMMMGPOBSA-N -2 3 287.337 1.835 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C(C1CC1)C1CC1 ZINC000871994344 826801653 /nfs/dbraw/zinc/80/16/53/826801653.db2.gz XZXORHOJVHQEKM-UHFFFAOYSA-N -2 3 285.321 1.445 10 0 CDAEHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)o1 ZINC000629346256 361848107 /nfs/dbraw/zinc/84/81/07/361848107.db2.gz GHIKZDNJOVPBCT-SECBINFHSA-N -2 3 299.348 1.836 10 0 CDAEHL O=C([O-])[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085328006 179018508 /nfs/dbraw/zinc/01/85/08/179018508.db2.gz RWMRWXHWXNKTCZ-RKDXNWHRSA-N -2 3 289.378 1.670 10 0 CDAEHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000634654688 356644482 /nfs/dbraw/zinc/64/44/82/356644482.db2.gz QETHNACYIFEFIB-QMMMGPOBSA-N -2 3 287.337 1.835 10 0 CDAEHL O=C([O-])c1cc(=O)[n-]c([C@H]2CSCCS2)n1 ZINC000309432065 538867399 /nfs/dbraw/zinc/86/73/99/538867399.db2.gz MBVNPAWQXGWTRU-ZCFIWIBFSA-N -2 3 258.324 1.402 10 0 CDAEHL CC(C)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000080187422 358091333 /nfs/dbraw/zinc/09/13/33/358091333.db2.gz QWQAHFATMXZHNB-UHFFFAOYSA-N -2 3 275.301 1.922 10 0 CDAEHL COC[C@@H](C)S(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000274912806 192839324 /nfs/dbraw/zinc/83/93/24/192839324.db2.gz LCQUUVDDYNSFRM-SECBINFHSA-N -2 3 287.337 1.470 10 0 CDAEHL Cn1cnc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000448075284 360708230 /nfs/dbraw/zinc/70/82/30/360708230.db2.gz UWNBYGHNMAOJGV-UHFFFAOYSA-N -2 3 271.273 1.066 10 0 CDAEHL COc1nc([N-]C(=O)c2noc3c2CCCCC3)n[n-]1 ZINC000157190444 363924703 /nfs/dbraw/zinc/92/47/03/363924703.db2.gz KGVCAEKTBBGTND-UHFFFAOYSA-N -2 3 277.284 1.323 10 0 CDAEHL CCc1cc(C(=O)N=c2ncn(C(C)C)[n-]2)ccc1[O-] ZINC000652726258 413032018 /nfs/dbraw/zinc/03/20/18/413032018.db2.gz ODOCXQDGLIARQT-UHFFFAOYSA-N -2 3 274.324 1.801 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1F ZINC000656162066 413065430 /nfs/dbraw/zinc/06/54/30/413065430.db2.gz AQIZQMBPNCWDHA-MRVPVSSYSA-N -2 3 293.291 1.225 10 0 CDAEHL CC(C)(C)[C@H](NC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000035390394 172173633 /nfs/dbraw/zinc/17/36/33/172173633.db2.gz TXYPUTTXUBMSEB-SNVBAGLBSA-N -2 3 251.282 1.621 10 0 CDAEHL CCCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000035410555 172181846 /nfs/dbraw/zinc/18/18/46/172181846.db2.gz HWUXANFIOZGOOJ-JTQLQIEISA-N -2 3 267.281 1.471 10 0 CDAEHL COc1ccc(Cl)c(-n2cc([O-])c(C(=O)[O-])n2)c1 ZINC000043318229 175005314 /nfs/dbraw/zinc/00/53/14/175005314.db2.gz OWSJNFAIVZUTFQ-UHFFFAOYSA-N -2 3 268.656 1.938 10 0 CDAEHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)CC(=O)[O-] ZINC000147288196 289067073 /nfs/dbraw/zinc/06/70/73/289067073.db2.gz TZOQTGFWINMMMT-ZETCQYMHSA-N -2 3 293.291 1.354 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc([O-])c1 ZINC000061215003 521246420 /nfs/dbraw/zinc/24/64/20/521246420.db2.gz VANPPUINMNLZKI-VIFPVBQESA-N -2 3 251.282 1.575 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H]1C[C@H](C)CC[C@@H]1C(=O)[O-] ZINC000062767224 523094049 /nfs/dbraw/zinc/09/40/49/523094049.db2.gz KQJRPSDDTBTUIE-HRDYMLBCSA-N -2 3 285.369 1.573 10 0 CDAEHL C[C@H](c1ccc(F)cc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591960 526064729 /nfs/dbraw/zinc/06/47/29/526064729.db2.gz BHKGKEHZLRLSNL-SSDOTTSWSA-N -2 3 297.311 1.497 10 0 CDAEHL Cn1c(=O)[n-]nc1S[C@H](C(=O)[O-])c1ccccc1 ZINC000058181993 527021437 /nfs/dbraw/zinc/02/14/37/527021437.db2.gz FXWUYLLWVXYFLA-QMMMGPOBSA-N -2 3 265.294 1.026 10 0 CDAEHL COc1nnc(NC(=O)c2ccc3oc(=S)[n-]c3c2)[n-]1 ZINC001566428480 1168271036 /nfs/dbraw/zinc/27/10/36/1168271036.db2.gz ZMHBRLPEYCLODW-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL COc1nc(NC(=O)c2ccc3oc(=S)[n-]c3c2)n[n-]1 ZINC001566428480 1168271043 /nfs/dbraw/zinc/27/10/43/1168271043.db2.gz ZMHBRLPEYCLODW-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL COc1n[n-]c(NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001566428480 1168271052 /nfs/dbraw/zinc/27/10/52/1168271052.db2.gz ZMHBRLPEYCLODW-UHFFFAOYSA-N -2 3 291.292 1.496 10 0 CDAEHL CCOc1nc(NC(=O)c2c([O-])cccc2F)n[n-]1 ZINC000233800887 1178210392 /nfs/dbraw/zinc/21/03/92/1178210392.db2.gz AOOSDCIBVYRJCG-UHFFFAOYSA-N -2 3 266.232 1.300 10 0 CDAEHL C[C@H]1CCN(C(=O)c2ccc(N)cc2[O-])C[C@H]1C(=O)[O-] ZINC000849366118 829043780 /nfs/dbraw/zinc/04/37/80/829043780.db2.gz LKUWQOLWAASUOZ-GZMMTYOYSA-N -2 3 278.308 1.157 10 0 CDAEHL CC(C)CN(Cc1nnn[n-]1)C(=O)c1cc(F)ccc1[O-] ZINC001363805571 953825722 /nfs/dbraw/zinc/82/57/22/953825722.db2.gz QQBMFTJUSYBBDC-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL CCCc1nc(=NC(=O)c2c[n-]c(C(=O)OC)c2)s[n-]1 ZINC000339739962 361810352 /nfs/dbraw/zinc/81/03/52/361810352.db2.gz ZOLYKBXTDYKIHH-UHFFFAOYSA-N -2 3 294.336 1.280 10 0 CDAEHL C/C=C/C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000629343652 361848199 /nfs/dbraw/zinc/84/81/99/361848199.db2.gz ZCPTYIZCFLHYIB-ONEGZZNKSA-N -2 3 259.283 1.141 10 0 CDAEHL CC[C@H](C[N-]S(=O)(=O)c1cnc(C)s1)CC(=O)[O-] ZINC000230101689 346547629 /nfs/dbraw/zinc/54/76/29/346547629.db2.gz PPWKGWHGYPGKGR-QMMMGPOBSA-N -2 3 292.382 1.231 10 0 CDAEHL O=C(Nc1nnn[n-]1)c1cc2c(cc1[O-])CCCC2 ZINC000271222618 191013072 /nfs/dbraw/zinc/01/30/72/191013072.db2.gz CYPHSZBWSHUROK-UHFFFAOYSA-N -2 3 259.269 1.036 10 0 CDAEHL O=C(Nc1nn[n-]n1)c1cc2c(cc1[O-])CCCC2 ZINC000271222618 191013075 /nfs/dbraw/zinc/01/30/75/191013075.db2.gz CYPHSZBWSHUROK-UHFFFAOYSA-N -2 3 259.269 1.036 10 0 CDAEHL CC(C)CCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cn1 ZINC000104441742 186003608 /nfs/dbraw/zinc/00/36/08/186003608.db2.gz XMKQBXUSMMXRLC-UHFFFAOYSA-N -2 3 272.326 1.568 10 0 CDAEHL Cc1cc(=O)[n-]c([C@H](C)Sc2n[nH]c(=O)[n-]2)n1 ZINC000187640794 357789238 /nfs/dbraw/zinc/78/92/38/357789238.db2.gz ISXLQYCWEJHAEG-YFKPBYRVSA-N -2 3 253.287 1.168 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000436999599 361635280 /nfs/dbraw/zinc/63/52/80/361635280.db2.gz KDFNFHKVOXHHGT-UHFFFAOYSA-N -2 3 280.230 1.701 10 0 CDAEHL O=C([O-])c1n[nH]c2cc([O-])cc(Br)c21 ZINC000014984123 304216535 /nfs/dbraw/zinc/21/65/35/304216535.db2.gz WEZCGTWIZVAYEX-UHFFFAOYSA-N -2 3 257.043 1.729 10 0 CDAEHL CC(C)(C)[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000022151002 171358653 /nfs/dbraw/zinc/35/86/53/171358653.db2.gz DMIXAKRWDKUHCW-UHFFFAOYSA-N -2 3 277.367 1.452 10 0 CDAEHL O=C([O-])CCCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662227271 414573604 /nfs/dbraw/zinc/57/36/04/414573604.db2.gz RUMNMMMVDDFMTC-ZDUSSCGKSA-N -2 3 277.320 1.925 10 0 CDAEHL COCCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000071235421 176092951 /nfs/dbraw/zinc/09/29/51/176092951.db2.gz NBNYWIMSFJQMKB-UHFFFAOYSA-N -2 3 291.300 1.302 10 0 CDAEHL CCN(C(=O)c1cccc(OC)c1[O-])[C@H](C)CC(=O)[O-] ZINC000061178509 520101417 /nfs/dbraw/zinc/10/14/17/520101417.db2.gz XRIFACNJHKRUEZ-SECBINFHSA-N -2 3 281.308 1.726 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@@H](CC(=O)[O-])C(F)(F)F ZINC000062767208 523094547 /nfs/dbraw/zinc/09/45/47/523094547.db2.gz OAOAMYFCRGEBIQ-BYPYZUCNSA-N -2 3 285.247 1.089 10 0 CDAEHL C[C@@H](c1ccsc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591691 526156631 /nfs/dbraw/zinc/15/66/31/526156631.db2.gz RZWOUIUHMBBJCB-LURJTMIESA-N -2 3 285.350 1.419 10 0 CDAEHL CSC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000910878138 618565266 /nfs/dbraw/zinc/56/52/66/618565266.db2.gz OFORBUURGUNQJN-SECBINFHSA-N -2 3 289.740 1.592 10 0 CDAEHL CSC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000910879132 618565328 /nfs/dbraw/zinc/56/53/28/618565328.db2.gz WQBNKLWPUHOPTG-VIFPVBQESA-N -2 3 287.312 1.006 10 0 CDAEHL CC(C)c1nc(-c2nc[n-]n2)[n-]c(=O)c1Br ZINC000085449012 179064807 /nfs/dbraw/zinc/06/48/07/179064807.db2.gz CSUATBAHKCATFR-UHFFFAOYSA-N -2 3 284.117 1.853 10 0 CDAEHL COc1ccc(N)cc1-c1ncc(C(=O)[O-])c(=O)[n-]1 ZINC000616581751 358757950 /nfs/dbraw/zinc/75/79/50/358757950.db2.gz BVFTZGJCIIDTLC-UHFFFAOYSA-N -2 3 261.237 1.138 10 0 CDAEHL O=c1[n-]c(SCc2noc(-c3ccccc3[O-])n2)n[nH]1 ZINC000446059428 250258002 /nfs/dbraw/zinc/25/80/02/250258002.db2.gz HEBXZMUPLOZQTK-UHFFFAOYSA-N -2 3 291.292 1.558 10 0 CDAEHL O=C(N=c1cc2ccccn2[n-]1)NCc1ncccc1[O-] ZINC000548763504 393368160 /nfs/dbraw/zinc/36/81/60/393368160.db2.gz PMKHCTSYRVMLOR-UHFFFAOYSA-N -2 3 283.291 1.179 10 0 CDAEHL COc1cc(CC(=O)C(=O)[O-])cc(Br)c1[O-] ZINC000022221179 171378236 /nfs/dbraw/zinc/37/82/36/171378236.db2.gz WDDMQUSGDFRYGO-UHFFFAOYSA-N -2 3 289.081 1.360 10 0 CDAEHL Cc1cc(S(=O)(=O)[N-]CC2(C)CCC2)oc1C(=O)[O-] ZINC000663424139 414244372 /nfs/dbraw/zinc/24/43/72/414244372.db2.gz MWRVWHNZUSYRAX-UHFFFAOYSA-N -2 3 287.337 1.755 10 0 CDAEHL O=C([O-])c1ccc(NC(=O)NCC2CC2)c([O-])c1 ZINC000040531966 174317825 /nfs/dbraw/zinc/31/78/25/174317825.db2.gz YYXPDNPPMAVCOA-UHFFFAOYSA-N -2 3 250.254 1.622 10 0 CDAEHL CCOC[C@@H](C)NC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000044681427 175229143 /nfs/dbraw/zinc/22/91/43/175229143.db2.gz JEHTTZNMDOZTQM-MRVPVSSYSA-N -2 3 282.296 1.637 10 0 CDAEHL Cc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000582726165 325032005 /nfs/dbraw/zinc/03/20/05/325032005.db2.gz PRBVNJZBHVYNKT-CMPLNLGQSA-N -2 3 277.320 1.883 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1ncc(C(=O)[O-])cc1Cl ZINC000061592254 527021522 /nfs/dbraw/zinc/02/15/22/527021522.db2.gz CGSSBIWJVNJZNY-UHFFFAOYSA-N -2 3 286.700 1.006 10 0 CDAEHL Cn1c(=O)[n-]nc1Sc1ccc(Cl)cc1C(=O)[O-] ZINC000061592271 527021813 /nfs/dbraw/zinc/02/18/13/527021813.db2.gz VRNCCMCZILDZCG-UHFFFAOYSA-N -2 3 285.712 1.611 10 0 CDAEHL CCOc1nc([N-]C(=O)c2c(F)ccnc2F)n[n-]1 ZINC001649164617 1164482404 /nfs/dbraw/zinc/48/24/04/1164482404.db2.gz FDAWTBRXAQNXCQ-UHFFFAOYSA-N -2 3 269.211 1.129 10 0 CDAEHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000236431182 844469967 /nfs/dbraw/zinc/46/99/67/844469967.db2.gz LDOWSPWLEXEEIK-JTQLQIEISA-N -2 3 269.684 1.735 10 0 CDAEHL C[C@]1(C(=O)[O-])CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000711578285 847671451 /nfs/dbraw/zinc/67/14/51/847671451.db2.gz DXAIPZPSLLNNKF-CYBMUJFWSA-N -2 3 299.710 1.361 10 0 CDAEHL O=C([N-]OCc1ccccn1)C(=O)c1ccc([O-])cc1 ZINC001468832892 970195744 /nfs/dbraw/zinc/19/57/44/970195744.db2.gz BOWIEWKPUVNNJT-UHFFFAOYSA-N -2 3 272.260 1.218 10 0 CDAEHL O=c1cc(C(F)(F)F)nc(SCc2nnn[n-]2)[n-]1 ZINC000095217754 342431116 /nfs/dbraw/zinc/43/11/16/342431116.db2.gz NXHQLAUMTAVSSX-UHFFFAOYSA-N -2 3 278.219 1.006 10 0 CDAEHL O=c1cc(C(F)(F)F)nc(SCc2nn[n-]n2)[n-]1 ZINC000095217754 342431117 /nfs/dbraw/zinc/43/11/17/342431117.db2.gz NXHQLAUMTAVSSX-UHFFFAOYSA-N -2 3 278.219 1.006 10 0 CDAEHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc([O-])cc1 ZINC000083882804 178758388 /nfs/dbraw/zinc/75/83/88/178758388.db2.gz ZWGOYVLHBXVCET-LBPRGKRZSA-N -2 3 263.293 1.862 10 0 CDAEHL Cn1cn[n-]c1=NC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000487160382 366014975 /nfs/dbraw/zinc/01/49/75/366014975.db2.gz OGUDFGVBEWYCAN-UHFFFAOYSA-N -2 3 281.728 1.686 10 0 CDAEHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC23CC3)cc1C(=O)[O-] ZINC000634653597 356640461 /nfs/dbraw/zinc/64/04/61/356640461.db2.gz BOSZYRNWUGWLAJ-JTQLQIEISA-N -2 3 299.348 1.897 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000514603189 364753669 /nfs/dbraw/zinc/75/36/69/364753669.db2.gz KPUVGVLMLURDSL-BXKDBHETSA-N -2 3 293.319 1.584 10 0 CDAEHL Cc1ncc(S(=O)(=O)[N-]Cc2ncccc2[O-])s1 ZINC000360010616 368073954 /nfs/dbraw/zinc/07/39/54/368073954.db2.gz IQBRMWCVCLWYBC-UHFFFAOYSA-N -2 3 285.350 1.031 10 0 CDAEHL N[C@@H](c1ccc(Br)s1)P(=O)([O-])[O-] ZINC000307386959 372778691 /nfs/dbraw/zinc/77/86/91/372778691.db2.gz CBRQBYHJPXHEKG-RXMQYKEDSA-N -2 3 272.060 1.646 10 0 CDAEHL C[C@@H]1[C@@H](C(=O)N=c2ccc([O-])n[n-]2)[C@H]1c1ccccc1 ZINC000430795334 392068126 /nfs/dbraw/zinc/06/81/26/392068126.db2.gz FVWKFQZGWPZEAP-CUOATXAZSA-N -2 3 269.304 1.592 10 0 CDAEHL CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[n-]c(OC)n2)s1 ZINC000352635828 155317780 /nfs/dbraw/zinc/31/77/80/155317780.db2.gz DTBNGRSZQLKETC-LURJTMIESA-N -2 3 297.340 1.620 10 0 CDAEHL CCCC[C@H](N)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000040483706 174286737 /nfs/dbraw/zinc/28/67/37/174286737.db2.gz TWZDDAFVJUVZKA-NSHDSACASA-N -2 3 294.307 1.539 10 0 CDAEHL Cc1nc([C@@H]2CCC[C@@H](C)C2)[n-]c(=O)c1CC(=O)[O-] ZINC000044981334 175283547 /nfs/dbraw/zinc/28/35/47/175283547.db2.gz VUDFWVBMYAXCTQ-PSASIEDQSA-N -2 3 264.325 1.999 10 0 CDAEHL Cc1nc(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])no1 ZINC000071382388 176146110 /nfs/dbraw/zinc/14/61/10/176146110.db2.gz WALOHYBQXYDRLW-UHFFFAOYSA-N -2 3 263.209 1.034 10 0 CDAEHL Cc1csc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1 ZINC000562966854 293228499 /nfs/dbraw/zinc/22/84/99/293228499.db2.gz JQDUMTNUCLRPJU-QMMMGPOBSA-N -2 3 277.367 1.588 10 0 CDAEHL CCCn1c(=O)[n-]nc1Sc1ccc(C(=O)[O-])o1 ZINC000061593852 521616060 /nfs/dbraw/zinc/61/60/60/521616060.db2.gz IFSYXRVEDMEZET-UHFFFAOYSA-N -2 3 269.282 1.424 10 0 CDAEHL O=C([O-])c1ccc2nnc(-c3ccccc3[O-])n2c1 ZINC000052125321 526385840 /nfs/dbraw/zinc/38/58/40/526385840.db2.gz OHKQSQHQDJBQDX-UHFFFAOYSA-N -2 3 255.233 1.800 10 0 CDAEHL Cn1c(=O)[n-]nc1SC[C@H](C(=O)[O-])c1ccccc1 ZINC000062767287 527020546 /nfs/dbraw/zinc/02/05/46/527020546.db2.gz NYLHCHNMQHNRPW-VIFPVBQESA-N -2 3 279.321 1.069 10 0 CDAEHL C[C@](CCF)(NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000909974150 628788749 /nfs/dbraw/zinc/78/87/49/628788749.db2.gz ORQKTUUQUOMUHH-GFCCVEGCSA-N -2 3 289.690 1.978 10 0 CDAEHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000871993239 698822244 /nfs/dbraw/zinc/82/22/44/698822244.db2.gz FADWRKADVKLDSU-QMMMGPOBSA-N -2 3 271.294 1.365 10 0 CDAEHL CC(C)O[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001347893447 965741066 /nfs/dbraw/zinc/74/10/66/965741066.db2.gz IZDFWDCSAQNXHY-LBPRGKRZSA-N -2 3 292.335 1.453 10 0 CDAEHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2CC2)c1F ZINC000037310686 173113348 /nfs/dbraw/zinc/11/33/48/173113348.db2.gz WLAJMHPVKUVXPB-UHFFFAOYSA-N -2 3 293.703 1.618 10 0 CDAEHL CC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000080187934 177621258 /nfs/dbraw/zinc/62/12/58/177621258.db2.gz ZLUXRUWDPWYYHB-UHFFFAOYSA-N -2 3 287.337 1.878 10 0 CDAEHL CC(C)(C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-] ZINC000080187934 177621261 /nfs/dbraw/zinc/62/12/61/177621261.db2.gz ZLUXRUWDPWYYHB-UHFFFAOYSA-N -3 3 287.337 1.878 10 0 CDAEHL O=C([O-])CO[N-]C(=O)c1c(Cl)cccc1Cl ZINC000070184237 527615115 /nfs/dbraw/zinc/61/51/15/527615115.db2.gz IFWXLHZVIJICIW-UHFFFAOYSA-N -2 3 264.064 1.739 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)o1 ZINC000582244728 324938940 /nfs/dbraw/zinc/93/89/40/324938940.db2.gz MFLCWEGHGRQLHB-SSDOTTSWSA-N -2 3 297.279 1.222 10 0 CDAEHL COc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000097052937 482957227 /nfs/dbraw/zinc/95/72/27/482957227.db2.gz SRIVQTWZLZKYNP-DTWKUNHWSA-N -2 3 279.292 1.384 10 0 CDAEHL CCN(C[C@H](C)C(=O)[O-])C(=O)c1ccccc1[O-] ZINC000061214893 521245610 /nfs/dbraw/zinc/24/56/10/521245610.db2.gz JRACNIICHYQDOS-VIFPVBQESA-N -2 3 251.282 1.575 10 0 CDAEHL Cc1ccc(OCCC(=O)[N-]OCC(=O)[O-])c(C)c1 ZINC000069054906 525401736 /nfs/dbraw/zinc/40/17/36/525401736.db2.gz RPYCFCWUAOGMOO-UHFFFAOYSA-N -2 3 267.281 1.205 10 0 CDAEHL CSCCCNC(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000069458320 525468614 /nfs/dbraw/zinc/46/86/14/525468614.db2.gz UGFAXMLGLMWABM-UHFFFAOYSA-N -2 3 284.337 1.965 10 0 CDAEHL C[C@@H](c1ccccc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591820 526099196 /nfs/dbraw/zinc/09/91/96/526099196.db2.gz ZSTSYGNYJAWGHS-QMMMGPOBSA-N -2 3 279.321 1.357 10 0 CDAEHL C[C@H](c1ccsc1)n1c(=O)[n-]nc1SCC(=O)[O-] ZINC000061591692 526164039 /nfs/dbraw/zinc/16/40/39/526164039.db2.gz RZWOUIUHMBBJCB-ZCFIWIBFSA-N -2 3 285.350 1.419 10 0 CDAEHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2cccc([O-])c2F)C1 ZINC000911431252 629281138 /nfs/dbraw/zinc/28/11/38/629281138.db2.gz NYCIQKTXCWWAMH-DTWKUNHWSA-N -2 3 297.282 1.740 10 0 CDAEHL O=C([O-])c1ccn(CCCC(=O)[N-]OC2CCCCC2)n1 ZINC000911804966 629535332 /nfs/dbraw/zinc/53/53/32/629535332.db2.gz JLDGWNQTSAAVDT-UHFFFAOYSA-N -2 3 295.339 1.742 10 0 CDAEHL COc1nnc(NC(=O)c2ncc3ccccc3c2[O-])[n-]1 ZINC001137567900 936365986 /nfs/dbraw/zinc/36/59/86/936365986.db2.gz RUBCWOUGESNYKC-UHFFFAOYSA-N -2 3 285.263 1.319 10 0 CDAEHL COc1nc(NC(=O)c2ncc3ccccc3c2[O-])n[n-]1 ZINC001137567900 936365990 /nfs/dbraw/zinc/36/59/90/936365990.db2.gz RUBCWOUGESNYKC-UHFFFAOYSA-N -2 3 285.263 1.319 10 0 CDAEHL COC(=O)c1ccc(C(=O)Nc2c([O-])cccc2F)[n-]1 ZINC000590317755 342533477 /nfs/dbraw/zinc/53/34/77/342533477.db2.gz AJENJUZMOIEWNW-UHFFFAOYSA-N -2 3 278.239 1.898 10 0 CDAEHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C1CC1 ZINC000564972659 293475528 /nfs/dbraw/zinc/47/55/28/293475528.db2.gz MJUPKLOXKFHNSK-GFCCVEGCSA-N -2 3 289.328 1.698 10 0 CDAEHL CC1(c2cc(=O)n(-c3cn[n-]c(=O)c3Cl)[n-]2)CC1 ZINC000634587607 356468340 /nfs/dbraw/zinc/46/83/40/356468340.db2.gz SSKFGNXFPAPXBQ-UHFFFAOYSA-N -2 3 266.688 1.728 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])o1 ZINC000565057134 360846952 /nfs/dbraw/zinc/84/69/52/360846952.db2.gz CTRMQUBWNMYKHM-SNVBAGLBSA-N -2 3 299.304 1.155 10 0 CDAEHL C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000185265233 391575525 /nfs/dbraw/zinc/57/55/25/391575525.db2.gz YHEUBHWLCQBAOE-QMMMGPOBSA-N -2 3 274.317 1.672 10 0 CDAEHL CSc1nnc(NC(=O)c2ncc(C)cc2[O-])[n-]1 ZINC000494850259 393113241 /nfs/dbraw/zinc/11/32/41/393113241.db2.gz JZDKHERWXFBUOG-UHFFFAOYSA-N -2 3 265.298 1.188 10 0 CDAEHL CSc1n[n-]c(NC(=O)c2ncc(C)cc2[O-])n1 ZINC000494850259 393113245 /nfs/dbraw/zinc/11/32/45/393113245.db2.gz JZDKHERWXFBUOG-UHFFFAOYSA-N -2 3 265.298 1.188 10 0 CDAEHL CSc1nc(NC(=O)c2ncc(C)cc2[O-])n[n-]1 ZINC000494850259 393113250 /nfs/dbraw/zinc/11/32/50/393113250.db2.gz JZDKHERWXFBUOG-UHFFFAOYSA-N -2 3 265.298 1.188 10 0 CDAEHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC000645934704 393388230 /nfs/dbraw/zinc/38/82/30/393388230.db2.gz SKDLUCCPJXTDPE-MRVPVSSYSA-N -2 3 299.304 1.919 10 0 CDAEHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000022145012 171356141 /nfs/dbraw/zinc/35/61/41/171356141.db2.gz PRGOGPZRTNMQMC-KCJUWKMLSA-N -2 3 289.328 1.603 10 0 CDAEHL Cc1csc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])c1 ZINC000656725102 413604745 /nfs/dbraw/zinc/60/47/45/413604745.db2.gz QBXSLHYTCGFVSD-JTQLQIEISA-N -2 3 295.357 1.538 10 0 CDAEHL CC[C@@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000147359920 289067886 /nfs/dbraw/zinc/06/78/86/289067886.db2.gz GTPLZOSQFPVATO-MRVPVSSYSA-N -2 3 277.367 1.527 10 0 CDAEHL Cc1cccc([N-]S(=O)(=O)[C@@H]2CCO[C@H]2C)c1C(=O)[O-] ZINC000565056434 293510064 /nfs/dbraw/zinc/51/00/64/293510064.db2.gz WTBNHIZXXXBQDH-GXSJLCMTSA-N -2 3 299.348 1.612 10 0 CDAEHL Cc1ccc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)c([O-])c1 ZINC001772383697 1160188476 /nfs/dbraw/zinc/18/84/76/1160188476.db2.gz SWUTVAMWCFVBHV-BXKDBHETSA-N -2 3 281.283 1.585 10 0 CDAEHL Cc1cccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1[O-] ZINC000673478924 482752976 /nfs/dbraw/zinc/75/29/76/482752976.db2.gz HLYIHYYAMLOUQF-UHFFFAOYSA-N -2 3 263.253 1.061 10 0 CDAEHL CO[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C1CC1 ZINC000582360509 483134257 /nfs/dbraw/zinc/13/42/57/483134257.db2.gz QNRIMYHDLTUDOE-NSHDSACASA-N -2 3 289.328 1.698 10 0 CDAEHL CNC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC000061318132 521938759 /nfs/dbraw/zinc/93/87/59/521938759.db2.gz BTERIPMSSASIHF-UHFFFAOYSA-N -2 3 280.280 1.020 10 0 CDAEHL Cn1c(=O)[n-]nc1SCc1ccccc1C(=O)[O-] ZINC000057363575 527021724 /nfs/dbraw/zinc/02/17/24/527021724.db2.gz AWRIRSYOBXWBHZ-UHFFFAOYSA-N -2 3 265.294 1.099 10 0 CDAEHL CC(C)=CC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000864449306 712422388 /nfs/dbraw/zinc/42/23/88/712422388.db2.gz HGKDQHRYLRCBDI-SNVBAGLBSA-N -2 3 287.337 1.676 10 0 CDAEHL O=C([O-])CC1(CC[N-]S(=O)(=O)C(F)F)CCCCC1 ZINC000817423055 930532339 /nfs/dbraw/zinc/53/23/39/930532339.db2.gz XMMAQZVELPPEHU-UHFFFAOYSA-N -2 3 299.339 1.944 10 0 CDAEHL Cc1c(Cl)cccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000048653508 934392073 /nfs/dbraw/zinc/39/20/73/934392073.db2.gz LMGHBRFSUZOGFE-UHFFFAOYSA-N -2 3 290.772 1.614 10 0 CDAEHL CCC(CC)(NC(=O)c1ncc(C)cc1[O-])c1nn[n-]n1 ZINC001467793066 970104337 /nfs/dbraw/zinc/10/43/37/970104337.db2.gz JKCMAVJJJBHICC-UHFFFAOYSA-N -2 3 290.327 1.054 10 0 CDAEHL O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)c1c([O-])cccc1[O-] ZINC000436997292 361635618 /nfs/dbraw/zinc/63/56/18/361635618.db2.gz FCEYFVVDTMWASH-LLVKDONJSA-N -3 3 289.291 1.347 10 0 CDAEHL O=C([N-]O[C@@H]1CCCCO1)c1s[n-]c(=O)c1Cl ZINC000282912955 368101494 /nfs/dbraw/zinc/10/14/94/368101494.db2.gz BQFZKYDLXPVTOS-RXMQYKEDSA-N -2 3 278.717 1.690 10 0 CDAEHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c1F ZINC000274916688 371196963 /nfs/dbraw/zinc/19/69/63/371196963.db2.gz ACXJZACMVRWNQK-QMMMGPOBSA-N -2 3 289.328 1.523 10 0 CDAEHL COc1ccc([O-])c(C(=O)N[C@](C)(CCF)C(=O)[O-])c1 ZINC000659214878 413020853 /nfs/dbraw/zinc/02/08/53/413020853.db2.gz GBEMBTZQYUMBFK-CYBMUJFWSA-N -2 3 285.271 1.334 10 0 CDAEHL Cc1cc(C)cc(-c2cc(=NC(=O)CCC(=O)[O-])[nH][n-]2)c1 ZINC000647138524 390526200 /nfs/dbraw/zinc/52/62/00/390526200.db2.gz WURRIOYUSUOQJD-UHFFFAOYSA-N -2 3 287.319 1.919 10 0 CDAEHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1 ZINC000568095566 392363450 /nfs/dbraw/zinc/36/34/50/392363450.db2.gz GPJDDGDTKKTUQG-SECBINFHSA-N -2 3 275.326 1.510 10 0 CDAEHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000645958376 393434325 /nfs/dbraw/zinc/43/43/25/393434325.db2.gz SELADIDYOYEAHY-SECBINFHSA-N -2 3 275.326 1.691 10 0 CDAEHL O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1[O-] ZINC000010150639 170398515 /nfs/dbraw/zinc/39/85/15/170398515.db2.gz IQGKJQLLWIALDO-VHSXEESVSA-N -2 3 261.277 1.998 10 0 CDAEHL CCOC([O-])=NC(=O)CSc1ncccc1C(=O)[O-] ZINC000037414661 173191875 /nfs/dbraw/zinc/19/18/75/173191875.db2.gz CYMNWFPXCODFQC-UHFFFAOYSA-N -2 3 284.293 1.145 10 0 CDAEHL CCOC(=O)[N-]C(=O)CSc1ncccc1C(=O)[O-] ZINC000037414661 173191877 /nfs/dbraw/zinc/19/18/77/173191877.db2.gz CYMNWFPXCODFQC-UHFFFAOYSA-N -2 3 284.293 1.145 10 0 CDAEHL O=C([O-])Cn1cc([N-]S(=O)(=O)C2CCCCC2)cn1 ZINC000038137322 174133533 /nfs/dbraw/zinc/13/35/33/174133533.db2.gz GTRWWHLBPIKQTB-UHFFFAOYSA-N -2 3 287.341 1.042 10 0 CDAEHL Cc1nc(-c2cc(F)c(F)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000043392625 175034160 /nfs/dbraw/zinc/03/41/60/175034160.db2.gz DCYSIFJKJPKKLT-UHFFFAOYSA-N -2 3 298.220 1.790 10 0 CDAEHL Cc1nc(C(=O)[N-]c2cc(C(=O)[O-])ccc2F)no1 ZINC000071382386 176146276 /nfs/dbraw/zinc/14/62/76/176146276.db2.gz DAYOOYNHGKVFLD-UHFFFAOYSA-N -2 3 265.200 1.468 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC000653318490 424564897 /nfs/dbraw/zinc/56/48/97/424564897.db2.gz MKBSRYCKGOVPML-KWQFWETISA-N -2 3 279.292 1.479 10 0 CDAEHL CC1(c2nc(=NC(=O)c3ccc([O-])cc3[O-])s[n-]2)CC1 ZINC000529698167 271013973 /nfs/dbraw/zinc/01/39/73/271013973.db2.gz KEAINZPLDBSMQO-UHFFFAOYSA-N -3 3 291.332 1.675 10 0 CDAEHL O=C([N-]c1cnoc1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000670779910 482302207 /nfs/dbraw/zinc/30/22/07/482302207.db2.gz WKVOZMXMVXREFB-UHFFFAOYSA-N -2 3 288.238 1.957 10 0 CDAEHL CCCn1c(=O)[n-]nc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000058181968 521615587 /nfs/dbraw/zinc/61/55/87/521615587.db2.gz CBTIXPNERHRFQY-SNVBAGLBSA-N -2 3 293.348 1.899 10 0 CDAEHL O=C([O-])c1cnc(-c2ccc(F)c(Cl)c2)[n-]c1=O ZINC000062793012 526402875 /nfs/dbraw/zinc/40/28/75/526402875.db2.gz ZAJJOLWGKWBTCP-UHFFFAOYSA-N -2 3 268.631 1.928 10 0 CDAEHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994940 1165371119 /nfs/dbraw/zinc/37/11/19/1165371119.db2.gz BOUFWMYFCIUYOW-LLVKDONJSA-N -2 3 273.310 1.445 10 0 CDAEHL CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc([O-])cc1F ZINC001412527612 932469737 /nfs/dbraw/zinc/46/97/37/932469737.db2.gz KHJKKZGCGAIPPG-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([O-])cc1F ZINC001412527612 932469742 /nfs/dbraw/zinc/46/97/42/932469742.db2.gz KHJKKZGCGAIPPG-UHFFFAOYSA-N -2 3 293.302 1.343 10 0 CDAEHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc(Cl)c([O-])c1 ZINC001454184127 968440704 /nfs/dbraw/zinc/44/07/04/968440704.db2.gz DJTGBFTXTJOZNQ-SECBINFHSA-N -2 3 295.726 1.287 10 0 CDAEHL O=C([N-]Oc1ccccc1F)C(=O)c1ccc([O-])cc1 ZINC001471718785 970471941 /nfs/dbraw/zinc/47/19/41/970471941.db2.gz SKBDMJALOUTDEQ-UHFFFAOYSA-N -2 3 275.235 1.824 10 0 CDAEHL O=C(NCCc1nc(=O)o[n-]1)c1cc([O-])c2ccccc2c1 ZINC000356060505 539104567 /nfs/dbraw/zinc/10/45/67/539104567.db2.gz QUOQUHISJNEVNA-UHFFFAOYSA-N -2 3 299.286 1.194 10 0 CDAEHL O=C([O-])c1cn(C2CC2)c2c([O-])c(F)ccc2c1=O ZINC000113204346 342439832 /nfs/dbraw/zinc/43/98/32/342439832.db2.gz WSQDCDIVEKJBFL-UHFFFAOYSA-N -2 3 263.224 1.879 10 0 CDAEHL O=C([O-])[C@@H](O)c1c([O-])cc(F)cc1C(F)(F)F ZINC000575704111 357288575 /nfs/dbraw/zinc/28/85/75/357288575.db2.gz UUIVUVYIXDAAQO-ZETCQYMHSA-N -2 3 254.135 1.668 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)o1 ZINC000572368470 359167852 /nfs/dbraw/zinc/16/78/52/359167852.db2.gz AODXYZJTFBQPGC-UHFFFAOYSA-N -2 3 287.337 1.511 10 0 CDAEHL COc1ccc([O-])c(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000514603190 364753170 /nfs/dbraw/zinc/75/31/70/364753170.db2.gz KPUVGVLMLURDSL-CABZTGNLSA-N -2 3 293.319 1.584 10 0 CDAEHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])o1 ZINC000565056255 370341757 /nfs/dbraw/zinc/34/17/57/370341757.db2.gz WFVBZBPUGARJDI-BXKDBHETSA-N -2 3 287.337 1.510 10 0 CDAEHL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000653462016 412833722 /nfs/dbraw/zinc/83/37/22/412833722.db2.gz PHYKUEQOAGGMGC-LLVKDONJSA-N -2 3 279.292 1.530 10 0 CDAEHL O=C([O-])c1cc2c(c(Br)c1)[N-]C(=O)C2=O ZINC000033494273 304228560 /nfs/dbraw/zinc/22/85/60/304228560.db2.gz XSVUHNBXTRTHJA-UHFFFAOYSA-N -2 3 270.038 1.282 10 0 CDAEHL O=C(NCc1ncccc1[O-])c1csc(=NC2CC2)[n-]1 ZINC000352517733 155244763 /nfs/dbraw/zinc/24/47/63/155244763.db2.gz RJYQFHJWFHJLFB-UHFFFAOYSA-N -2 3 290.348 1.170 10 0 CDAEHL Cc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC000656476881 413340441 /nfs/dbraw/zinc/34/04/41/413340441.db2.gz FCWILLSQQZPUGU-CQSZACIVSA-N -2 3 279.292 1.521 10 0 CDAEHL CCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-] ZINC000005511626 170106433 /nfs/dbraw/zinc/10/64/33/170106433.db2.gz ZXSMUDIPLKKQMI-UHFFFAOYSA-N -4 3 289.205 1.139 10 0 CDAEHL O=C([O-])[C@H](CNC(=O)NCc1ncccc1[O-])C1CCC1 ZINC000665320624 414063580 /nfs/dbraw/zinc/06/35/80/414063580.db2.gz QIFQEHTVJWQNLR-SNVBAGLBSA-N -2 3 293.323 1.087 10 0 CDAEHL Cn1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2[O-])n1 ZINC000040594526 174348332 /nfs/dbraw/zinc/34/83/32/174348332.db2.gz ZSBZQKVYRVRJOW-UHFFFAOYSA-N -2 3 276.252 1.468 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1cnn[n-]1)CCCC2 ZINC000071215066 176086047 /nfs/dbraw/zinc/08/60/47/176086047.db2.gz FTOKBDUOJFWMOA-UHFFFAOYSA-N -2 3 292.320 1.696 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1c[n-]nn1)CCCC2 ZINC000071215066 176086049 /nfs/dbraw/zinc/08/60/49/176086049.db2.gz FTOKBDUOJFWMOA-UHFFFAOYSA-N -2 3 292.320 1.696 10 0 CDAEHL O=C([O-])c1c2c(sc1NC(=O)c1cn[n-]n1)CCCC2 ZINC000071215066 176086050 /nfs/dbraw/zinc/08/60/50/176086050.db2.gz FTOKBDUOJFWMOA-UHFFFAOYSA-N -2 3 292.320 1.696 10 0 CDAEHL COc1ccccc1[N-]S(=O)(=O)C(C)(C)C(=O)[O-] ZINC000072206704 176342886 /nfs/dbraw/zinc/34/28/86/176342886.db2.gz MHHQJSXXVKMKTL-UHFFFAOYSA-N -2 3 273.310 1.300 10 0 CDAEHL CC(C)n1c(=O)[n-]nc1SCc1cc(C(=O)[O-])no1 ZINC000061593765 519918417 /nfs/dbraw/zinc/91/84/17/519918417.db2.gz BCQZTRDTVSRKRP-UHFFFAOYSA-N -2 3 284.297 1.131 10 0 CDAEHL CCn1c(=O)[n-]nc1S[C@H](CC(=O)[O-])C(F)(F)F ZINC000062767209 523092665 /nfs/dbraw/zinc/09/26/65/523092665.db2.gz OAOAMYFCRGEBIQ-SCSAIBSYSA-N -2 3 285.247 1.089 10 0 CDAEHL O=C(Nc1ncccc1[O-])c1s[n-]c(=O)c1Cl ZINC000339347206 527521313 /nfs/dbraw/zinc/52/13/13/527521313.db2.gz WJSGFFUQEFDCBZ-UHFFFAOYSA-N -2 3 271.685 1.855 10 0 CDAEHL O=C([O-])Cc1ccc(I)cc1[O-] ZINC000238692132 538223824 /nfs/dbraw/zinc/22/38/24/538223824.db2.gz LYSSBMFWZMUPAA-UHFFFAOYSA-N -2 3 278.045 1.624 10 0 CDAEHL C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909131413 628526629 /nfs/dbraw/zinc/52/66/29/628526629.db2.gz ZJTWEQAYNCNAPD-YFKPBYRVSA-N -2 3 277.198 1.614 10 0 CDAEHL