smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000274870889 532858659 /nfs/dbraw/zinc/85/86/59/532858659.db2.gz ANIAVFLJBXPFMO-GFCCVEGCSA-N -2 3 377.846 2.063 20 30 GEEDHL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736637093 598948269 /nfs/dbraw/zinc/94/82/69/598948269.db2.gz MXDGGHXJFBCDND-UHFFFAOYSA-N -2 3 384.421 2.246 20 30 GEEDHL CCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736637093 598948270 /nfs/dbraw/zinc/94/82/70/598948270.db2.gz MXDGGHXJFBCDND-UHFFFAOYSA-N -2 3 384.421 2.246 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736869573 599219150 /nfs/dbraw/zinc/21/91/50/599219150.db2.gz YDMBXZZWAMUHGA-GFCCVEGCSA-N -2 3 396.794 2.381 20 30 GEEDHL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737721355 598548622 /nfs/dbraw/zinc/54/86/22/598548622.db2.gz JKESQWLATBIXLB-UHFFFAOYSA-N -2 3 392.347 2.141 20 30 GEEDHL N#Cc1ccc(OC(F)F)c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737721355 598548624 /nfs/dbraw/zinc/54/86/24/598548624.db2.gz JKESQWLATBIXLB-UHFFFAOYSA-N -2 3 392.347 2.141 20 30 GEEDHL Cc1ccc(F)c2c1C(=N[N-]c1oc(C(C)(C)C)nc1-c1nnn[n-]1)C(=O)N2 ZINC000737344222 598761638 /nfs/dbraw/zinc/76/16/38/598761638.db2.gz CCXDIXWVIXBDRD-UHFFFAOYSA-N -2 3 384.375 2.368 20 30 GEEDHL CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821056669 599619866 /nfs/dbraw/zinc/61/98/66/599619866.db2.gz VTZIHERWQLEGCN-UHFFFAOYSA-N -2 3 395.485 2.049 20 30 GEEDHL CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821056669 599619867 /nfs/dbraw/zinc/61/98/67/599619867.db2.gz VTZIHERWQLEGCN-UHFFFAOYSA-N -2 3 395.485 2.049 20 30 GEEDHL N#Cc1ccc(CNC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000739118491 600145245 /nfs/dbraw/zinc/14/52/45/600145245.db2.gz SXWDNVCAXSCQPZ-UHFFFAOYSA-N -2 3 387.823 2.120 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)ccc1F ZINC000825692541 601755790 /nfs/dbraw/zinc/75/57/90/601755790.db2.gz XBOGJITYZDCOSC-INIZCTEOSA-N -2 3 398.456 2.053 20 30 GEEDHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)Nc1cc(C#N)ccc1[O-] ZINC000821701287 606195090 /nfs/dbraw/zinc/19/50/90/606195090.db2.gz JQJLRSSTXAQQAW-UHFFFAOYSA-N -2 3 394.391 2.250 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826386213 609528845 /nfs/dbraw/zinc/52/88/45/609528845.db2.gz ULQJNCLFFUBINC-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826386213 609528847 /nfs/dbraw/zinc/52/88/47/609528847.db2.gz ULQJNCLFFUBINC-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000542859523 650892512 /nfs/dbraw/zinc/89/25/12/650892512.db2.gz VZCLFULARHUZNP-JTQLQIEISA-N -2 3 380.647 2.247 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000776596418 653362709 /nfs/dbraw/zinc/36/27/09/653362709.db2.gz FAIHCSCYGILFKM-SNVBAGLBSA-N -2 3 396.234 2.295 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000776597013 653362858 /nfs/dbraw/zinc/36/28/58/653362858.db2.gz LDCVHWDBFCSHHK-JTQLQIEISA-N -2 3 393.215 2.055 20 30 GEEDHL O=C([O-])c1ccc(N=NCc2c(Br)n[n-]c2Br)nc1 ZINC000793035700 653863506 /nfs/dbraw/zinc/86/35/06/653863506.db2.gz ZNSYRKSPIYGJGJ-UHFFFAOYSA-N -2 3 389.007 2.474 20 30 GEEDHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(F)c1 ZINC000590739709 532383998 /nfs/dbraw/zinc/38/39/98/532383998.db2.gz BLVZLLYZJPSLAJ-CYBMUJFWSA-N -2 3 391.490 2.194 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(C(F)(F)F)c1 ZINC000593278627 532481197 /nfs/dbraw/zinc/48/11/97/532481197.db2.gz RSURWOOJFYPRRF-LLVKDONJSA-N -2 3 376.356 2.356 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c(C(F)(F)F)c1 ZINC000564207799 532518726 /nfs/dbraw/zinc/51/87/26/532518726.db2.gz WBUJEHBNVYHLEH-MRVPVSSYSA-N -2 3 386.298 2.211 20 30 GEEDHL Cc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cccc1-c1nnn[n-]1 ZINC000822123255 607255001 /nfs/dbraw/zinc/25/50/01/607255001.db2.gz XNVJEIXMBBUCFP-UHFFFAOYSA-N -2 3 376.348 2.126 20 30 GEEDHL Cc1c([N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)cccc1-c1nn[n-]n1 ZINC000822123255 607255002 /nfs/dbraw/zinc/25/50/02/607255002.db2.gz XNVJEIXMBBUCFP-UHFFFAOYSA-N -2 3 376.348 2.126 20 30 GEEDHL N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737674394 598727881 /nfs/dbraw/zinc/72/78/81/598727881.db2.gz WCOBSSLXLZWEAS-KRWDZBQOSA-N -2 3 388.387 2.260 20 30 GEEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820178171 607376802 /nfs/dbraw/zinc/37/68/02/607376802.db2.gz JBRMTBJJQRAYQA-UHFFFAOYSA-N -2 3 384.421 2.326 20 30 GEEDHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820178171 607376804 /nfs/dbraw/zinc/37/68/04/607376804.db2.gz JBRMTBJJQRAYQA-UHFFFAOYSA-N -2 3 384.421 2.326 20 30 GEEDHL COc1ccc([C@@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(=O)[O-])cc1 ZINC000737959611 599757933 /nfs/dbraw/zinc/75/79/33/599757933.db2.gz RTIRKOWVCGBNTO-GOSISDBHSA-N -2 3 383.404 2.159 20 30 GEEDHL C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(-c2cccc(C(=O)[O-])c2)no1 ZINC000827716757 600696209 /nfs/dbraw/zinc/69/62/09/600696209.db2.gz ATMYNVZDYXJPTF-SNVBAGLBSA-N -2 3 398.400 2.235 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000825692095 602361130 /nfs/dbraw/zinc/36/11/30/602361130.db2.gz HVAMIVBWIGZUAR-UHFFFAOYSA-N -2 3 396.371 2.380 20 30 GEEDHL C#CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)c1ccccc1 ZINC000833362898 604638338 /nfs/dbraw/zinc/63/83/38/604638338.db2.gz QBJFHDXBRWYQIV-LBPRGKRZSA-N -2 3 393.442 2.276 20 30 GEEDHL N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnc(NC(=O)[O-])cn1 ZINC000833962050 606012801 /nfs/dbraw/zinc/01/28/01/606012801.db2.gz XDZWBVUCTFXMSD-MRVPVSSYSA-N -2 3 377.719 2.320 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883476 607984851 /nfs/dbraw/zinc/98/48/51/607984851.db2.gz QOITYBKMOPRRIN-AWEZNQCLSA-N -2 3 397.460 2.173 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883476 607984852 /nfs/dbraw/zinc/98/48/52/607984852.db2.gz QOITYBKMOPRRIN-AWEZNQCLSA-N -2 3 397.460 2.173 20 30 GEEDHL N#CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436821480 648795128 /nfs/dbraw/zinc/79/51/28/648795128.db2.gz XESYLFKOAZLBGR-UHFFFAOYSA-N -2 3 379.825 2.490 20 30 GEEDHL N#CC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000799762302 654110309 /nfs/dbraw/zinc/11/03/09/654110309.db2.gz RILWTXPTJZYZHB-UHFFFAOYSA-N -2 3 391.243 2.349 20 30 GEEDHL Cc1c(C(=O)C=Cc2cccc(OCC(=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201641 598820764 /nfs/dbraw/zinc/82/07/64/598820764.db2.gz FMQTZGGJWCOEFS-FPLPWBNLSA-N -2 3 393.403 2.282 20 30 GEEDHL Cc1c(C(=O)C=Cc2cccc(OCC(=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201641 598820766 /nfs/dbraw/zinc/82/07/66/598820766.db2.gz FMQTZGGJWCOEFS-FPLPWBNLSA-N -2 3 393.403 2.282 20 30 GEEDHL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000821128501 599304510 /nfs/dbraw/zinc/30/45/10/599304510.db2.gz VTMAMIGLAHPPCH-UHFFFAOYSA-N -2 3 383.437 2.361 20 30 GEEDHL CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000821128501 599304512 /nfs/dbraw/zinc/30/45/12/599304512.db2.gz VTMAMIGLAHPPCH-UHFFFAOYSA-N -2 3 383.437 2.361 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)[O-] ZINC000738231218 599948484 /nfs/dbraw/zinc/94/84/84/599948484.db2.gz WYDVENCQBNMYNJ-HNNXBMFYSA-N -2 3 399.422 2.407 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738230845 600541284 /nfs/dbraw/zinc/54/12/84/600541284.db2.gz RXYCCPQHPGCNGR-UHFFFAOYSA-N -2 3 384.348 2.453 20 30 GEEDHL N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833062986 601477367 /nfs/dbraw/zinc/47/73/67/601477367.db2.gz RPUHNJOCQANHRG-CPCISQLKSA-N -2 3 391.218 2.257 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1-c1nnn[n-]1 ZINC000826304006 607538206 /nfs/dbraw/zinc/53/82/06/607538206.db2.gz QQMSXERYYDCLEM-UHFFFAOYSA-N -2 3 388.384 2.017 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2OCC#N)c1-c1nn[n-]n1 ZINC000826304006 607538208 /nfs/dbraw/zinc/53/82/08/607538208.db2.gz QQMSXERYYDCLEM-UHFFFAOYSA-N -2 3 388.384 2.017 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823882927 607985156 /nfs/dbraw/zinc/98/51/56/607985156.db2.gz GJYGQOAJYPAYBF-ZDUSSCGKSA-N -2 3 383.433 2.032 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882927 607985157 /nfs/dbraw/zinc/98/51/57/607985157.db2.gz GJYGQOAJYPAYBF-ZDUSSCGKSA-N -2 3 383.433 2.032 20 30 GEEDHL CSc1[n-]c(=O)c(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1C#N ZINC000476739335 650558182 /nfs/dbraw/zinc/55/81/82/650558182.db2.gz ZQFBINMDYBOCSV-UHFFFAOYSA-N -2 3 378.435 2.005 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000569431607 651713025 /nfs/dbraw/zinc/71/30/25/651713025.db2.gz UKRLZMOTUPOFIV-QMMMGPOBSA-N -2 3 393.215 2.055 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000776595946 653362794 /nfs/dbraw/zinc/36/27/94/653362794.db2.gz AWMGDYWRGSBYAM-LLVKDONJSA-N -2 3 378.809 2.135 20 30 GEEDHL C#C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CCOCC1 ZINC000871987160 654301909 /nfs/dbraw/zinc/30/19/09/654301909.db2.gz UYVIRAWOCSQFAS-GFCCVEGCSA-N -2 3 392.260 2.398 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000563792432 532509347 /nfs/dbraw/zinc/50/93/47/532509347.db2.gz ZBYIMKKNCHBAKV-NSHDSACASA-N -2 3 390.255 2.082 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000564858243 532535496 /nfs/dbraw/zinc/53/54/96/532535496.db2.gz JMMWHILLQOUIGG-NSHDSACASA-N -2 3 390.255 2.082 20 30 GEEDHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000263540187 532629877 /nfs/dbraw/zinc/62/98/77/532629877.db2.gz CEBXAVGOVXJVID-UHFFFAOYSA-N -2 3 375.244 2.242 20 30 GEEDHL C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000274870891 532858569 /nfs/dbraw/zinc/85/85/69/532858569.db2.gz ANIAVFLJBXPFMO-LBPRGKRZSA-N -2 3 377.846 2.063 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000737721692 598841963 /nfs/dbraw/zinc/84/19/63/598841963.db2.gz BWADHAFCUUOPBZ-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000737721692 598841965 /nfs/dbraw/zinc/84/19/65/598841965.db2.gz BWADHAFCUUOPBZ-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)sc1SCC#N ZINC000737481603 598438009 /nfs/dbraw/zinc/43/80/09/598438009.db2.gz APWPBMDHOOGINO-UHFFFAOYSA-N -2 3 393.479 2.048 20 30 GEEDHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)sc1SCC#N ZINC000737481603 598438011 /nfs/dbraw/zinc/43/80/11/598438011.db2.gz APWPBMDHOOGINO-UHFFFAOYSA-N -2 3 393.479 2.048 20 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384.375 2.269 20 30 GEEDHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000831373641 601492257 /nfs/dbraw/zinc/49/22/57/601492257.db2.gz KJKAYDXNBGIKKJ-UHFFFAOYSA-N -2 3 394.792 2.497 20 30 GEEDHL Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(C4CCN(C(=O)[O-])CC4)nn3)nc21 ZINC000740174047 603074363 /nfs/dbraw/zinc/07/43/63/603074363.db2.gz GCRLNJDETRFKDQ-CYBMUJFWSA-N -2 3 393.407 2.268 20 30 GEEDHL O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822924202 606304653 /nfs/dbraw/zinc/30/46/53/606304653.db2.gz YTZSXBXYFQQZQC-DUXPYHPUSA-N -2 3 397.460 2.362 20 30 GEEDHL O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822924202 606304655 /nfs/dbraw/zinc/30/46/55/606304655.db2.gz YTZSXBXYFQQZQC-DUXPYHPUSA-N -2 3 397.460 2.362 20 30 GEEDHL O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822921976 606389152 /nfs/dbraw/zinc/38/91/52/606389152.db2.gz BKKNWVIUTVQCNI-GORDUTHDSA-N -2 3 397.460 2.362 20 30 GEEDHL O=C(C=Cc1ccc(-c2nn[n-]n2)s1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822921976 606389154 /nfs/dbraw/zinc/38/91/54/606389154.db2.gz BKKNWVIUTVQCNI-GORDUTHDSA-N -2 3 397.460 2.362 20 30 GEEDHL C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823914704 609500350 /nfs/dbraw/zinc/50/03/50/609500350.db2.gz MDJOOTRIPPGLGJ-UHFFFAOYSA-N -2 3 380.364 2.309 20 30 GEEDHL C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000823914704 609500353 /nfs/dbraw/zinc/50/03/53/609500353.db2.gz MDJOOTRIPPGLGJ-UHFFFAOYSA-N -2 3 380.364 2.309 20 30 GEEDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1O[C@H](C)C#N ZINC000826279737 609531165 /nfs/dbraw/zinc/53/11/65/609531165.db2.gz ABVKFSQSLAFBBY-GFCCVEGCSA-N -2 3 384.421 2.267 20 30 GEEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435717730 648785946 /nfs/dbraw/zinc/78/59/46/648785946.db2.gz QSQYDHQQPGACIN-UHFFFAOYSA-N -2 3 379.463 2.347 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000584705147 652526181 /nfs/dbraw/zinc/52/61/81/652526181.db2.gz ZUZGQOIFWJZVNG-QMMMGPOBSA-N -2 3 382.316 2.311 20 30 GEEDHL C=CCCOCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844900030 653828326 /nfs/dbraw/zinc/82/83/26/653828326.db2.gz ZIFSQDZMUAMRKP-UHFFFAOYSA-N -2 3 384.273 2.080 20 30 GEEDHL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826383974 653950140 /nfs/dbraw/zinc/95/01/40/653950140.db2.gz AGQWFCORSUTQSX-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427260147 532416819 /nfs/dbraw/zinc/41/68/19/532416819.db2.gz ZZLNQTRDIFMPNP-UHFFFAOYSA-N -2 3 383.426 2.178 20 30 GEEDHL C[C@@H](CC#N)N(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000566313658 532603761 /nfs/dbraw/zinc/60/37/61/532603761.db2.gz ZECRNIKXCNPYRH-QMMMGPOBSA-N -2 3 381.332 2.174 20 30 GEEDHL CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)[O-] ZINC000263539212 532629678 /nfs/dbraw/zinc/62/96/78/532629678.db2.gz 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738230219 600608574 /nfs/dbraw/zinc/60/85/74/600608574.db2.gz OZFCDFAGFZIJFE-SFHVURJKSA-N -2 3 379.372 2.449 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(CNC(=O)[O-])CC(C)C ZINC000740028471 603223764 /nfs/dbraw/zinc/22/37/64/603223764.db2.gz RPMQYZTXLRLUNW-LJQANCHMSA-N -2 3 376.457 2.397 20 30 GEEDHL CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000824207368 607999111 /nfs/dbraw/zinc/99/91/11/607999111.db2.gz VGHVFFOCQJGSAI-KRWDZBQOSA-N -2 3 378.392 2.486 20 30 GEEDHL CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1cc(C#N)ccc1[O-] ZINC000824207368 607999112 /nfs/dbraw/zinc/99/91/12/607999112.db2.gz VGHVFFOCQJGSAI-KRWDZBQOSA-N -2 3 378.392 2.486 20 30 GEEDHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000475785106 650538149 /nfs/dbraw/zinc/53/81/49/650538149.db2.gz BVRRQDAZYNXWSI-UHFFFAOYSA-N -2 3 379.463 2.233 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]S(=O)(=O)c1sccc1Cl ZINC000835942338 653317073 /nfs/dbraw/zinc/31/70/73/653317073.db2.gz RAPHCFMRTQXGDV-UHFFFAOYSA-N -2 3 399.881 2.428 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000837293504 653423270 /nfs/dbraw/zinc/42/32/70/653423270.db2.gz XFVYDICGQZUABE-SECBINFHSA-N -2 3 396.234 2.295 20 30 GEEDHL C=CCN1CCC([N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000185009859 532336650 /nfs/dbraw/zinc/33/66/50/532336650.db2.gz BYQHCSWUIGUJOW-UHFFFAOYSA-N -2 3 376.837 2.106 20 30 GEEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000282891815 532504794 /nfs/dbraw/zinc/50/47/94/532504794.db2.gz DRFPLALJEAPHMP-SNVBAGLBSA-N -2 3 380.647 2.247 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000318503380 532784420 /nfs/dbraw/zinc/78/44/20/532784420.db2.gz FIGAZMRUAKUYMV-UHFFFAOYSA-N -2 3 382.195 2.215 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])c(Cl)c1 ZINC000549549633 532794568 /nfs/dbraw/zinc/79/45/68/532794568.db2.gz 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ZINC000823882995 607985044 /nfs/dbraw/zinc/98/50/44/607985044.db2.gz HXSZICKVJRFBIW-CYBMUJFWSA-N -2 3 383.433 2.032 20 30 GEEDHL C=C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882995 607985045 /nfs/dbraw/zinc/98/50/45/607985045.db2.gz HXSZICKVJRFBIW-CYBMUJFWSA-N -2 3 383.433 2.032 20 30 GEEDHL Cc1nc(SCC(=O)Nc2cc(C#N)ccc2[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000826327462 607997492 /nfs/dbraw/zinc/99/74/92/607997492.db2.gz IPNBTBLLSVLMBA-UHFFFAOYSA-N -2 3 395.448 2.495 20 30 GEEDHL Cc1nc(SCC(=O)Nc2cc(C#N)ccc2[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000826327462 607997493 /nfs/dbraw/zinc/99/74/93/607997493.db2.gz IPNBTBLLSVLMBA-UHFFFAOYSA-N -2 3 395.448 2.495 20 30 GEEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OCC(=O)[O-] ZINC000826178859 609270158 /nfs/dbraw/zinc/27/01/58/609270158.db2.gz OZLGCWSBZKPHSU-KXFIGUGUSA-N -2 3 398.350 2.374 20 30 GEEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OCC(=O)[O-] ZINC000826178859 609270160 /nfs/dbraw/zinc/27/01/60/609270160.db2.gz OZLGCWSBZKPHSU-KXFIGUGUSA-N -2 3 398.350 2.374 20 30 GEEDHL C#CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823861551 609527264 /nfs/dbraw/zinc/52/72/64/609527264.db2.gz NBDZVPOVXRZUDG-UHFFFAOYSA-N -2 3 389.824 2.333 20 30 GEEDHL C#CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823861551 609527267 /nfs/dbraw/zinc/52/72/67/609527267.db2.gz NBDZVPOVXRZUDG-UHFFFAOYSA-N -2 3 389.824 2.333 20 30 GEEDHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c[n-]1 ZINC000585730948 652535461 /nfs/dbraw/zinc/53/54/61/652535461.db2.gz RRCUUKNQVWAOQL-UHFFFAOYSA-N -2 3 399.226 2.021 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CSCCc2ccccc2)C(=O)[O-])s1 ZINC000565930004 532584776 /nfs/dbraw/zinc/58/47/76/532584776.db2.gz IIELWNMWZJBTNT-AWEZNQCLSA-N -2 3 396.515 2.327 20 30 GEEDHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C#N)c2)cc1F ZINC000433608738 532575341 /nfs/dbraw/zinc/57/53/41/532575341.db2.gz LOMHQWFAHGVXDV-UHFFFAOYSA-N -2 3 387.389 2.009 20 30 GEEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551596334 532801775 /nfs/dbraw/zinc/80/17/75/532801775.db2.gz QOEVWOCBUIYCBC-VIFPVBQESA-N -2 3 380.647 2.247 20 30 GEEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735436544 598842762 /nfs/dbraw/zinc/84/27/62/598842762.db2.gz MXZBCVRWSXRXJA-UHFFFAOYSA-N -2 3 375.385 2.371 20 30 GEEDHL C=CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735436544 598842763 /nfs/dbraw/zinc/84/27/63/598842763.db2.gz MXZBCVRWSXRXJA-UHFFFAOYSA-N -2 3 375.385 2.371 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2F)ccc1F ZINC000736105747 600200474 /nfs/dbraw/zinc/20/04/74/600200474.db2.gz HYYUACIPYHRFSV-UHFFFAOYSA-N -2 3 396.371 2.380 20 30 GEEDHL N#CC1(NC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CCCCC1 ZINC000739067216 600315033 /nfs/dbraw/zinc/31/50/33/600315033.db2.gz ZAGUCGZHDDVUHK-UHFFFAOYSA-N -2 3 379.844 2.275 20 30 GEEDHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2cccc(C#N)c2)c([O-])c1 ZINC000832912144 601352187 /nfs/dbraw/zinc/35/21/87/601352187.db2.gz VWENECNFMROYJD-SFHVURJKSA-N -2 3 382.372 2.061 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000596004450 601475017 /nfs/dbraw/zinc/47/50/17/601475017.db2.gz XNTDNBNQHITDNT-LJQANCHMSA-N -2 3 379.416 2.419 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC(=O)[O-])Cc1ccncc1 ZINC000832843016 601511686 /nfs/dbraw/zinc/51/16/86/601511686.db2.gz OPDQLDPHSAHOND-UHFFFAOYSA-N -2 3 382.420 2.107 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)ccc1F ZINC000825692542 601755590 /nfs/dbraw/zinc/75/55/90/601755590.db2.gz XBOGJITYZDCOSC-MRXNPFEDSA-N -2 3 398.456 2.053 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821629950 606839646 /nfs/dbraw/zinc/83/96/46/606839646.db2.gz HFIZQPUNVLEZLX-OAHLLOKOSA-N -2 3 376.376 2.036 20 30 GEEDHL Cc1nc(-c2nnn[n-]2)c(N=NCc2cc(C)cc(Br)c2[O-])o1 ZINC000826256262 609374354 /nfs/dbraw/zinc/37/43/54/609374354.db2.gz AKIWWELGPCQMFI-UHFFFAOYSA-N -2 3 378.190 2.386 20 30 GEEDHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000826186627 609528276 /nfs/dbraw/zinc/52/82/76/609528276.db2.gz CXMTXOIXTWJSKK-UHFFFAOYSA-N -2 3 390.812 2.201 20 30 GEEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000826384462 609529131 /nfs/dbraw/zinc/52/91/31/609529131.db2.gz WLAHKRNKGFQNSV-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000826384462 609529133 /nfs/dbraw/zinc/52/91/33/609529133.db2.gz WLAHKRNKGFQNSV-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824035559 609529794 /nfs/dbraw/zinc/52/97/94/609529794.db2.gz ZZJHRBCYZSMBLS-JTQLQIEISA-N -2 3 388.384 2.097 20 30 GEEDHL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824035559 609529796 /nfs/dbraw/zinc/52/97/96/609529796.db2.gz ZZJHRBCYZSMBLS-JTQLQIEISA-N -2 3 388.384 2.097 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000556888727 651256048 /nfs/dbraw/zinc/25/60/48/651256048.db2.gz SARFSDOVMAJNII-SECBINFHSA-N -2 3 382.316 2.311 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000565726810 532574873 /nfs/dbraw/zinc/57/48/73/532574873.db2.gz ZJGKMWNXVGKWCO-MRVPVSSYSA-N -2 3 396.234 2.295 20 30 GEEDHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)cc1F ZINC000509386973 532767483 /nfs/dbraw/zinc/76/74/83/532767483.db2.gz SSWSEMYNQASNQA-UHFFFAOYSA-N -2 3 383.426 2.064 20 30 GEEDHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000736635019 598843169 /nfs/dbraw/zinc/84/31/69/598843169.db2.gz QQHYGRAZBPGOOD-UHFFFAOYSA-N -2 3 388.384 2.077 20 30 GEEDHL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000735381296 599097399 /nfs/dbraw/zinc/09/73/99/599097399.db2.gz SKZGDPFVOITHEO-UHFFFAOYSA-N -2 3 387.396 2.127 20 30 GEEDHL COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1CC(=O)[O-] ZINC000737064520 599152280 /nfs/dbraw/zinc/15/22/80/599152280.db2.gz DLRYUZTXOMJRSK-ZZXKWVIFSA-N -2 3 394.387 2.407 20 30 GEEDHL COc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1CC(=O)[O-] ZINC000737064520 599152283 /nfs/dbraw/zinc/15/22/83/599152283.db2.gz DLRYUZTXOMJRSK-ZZXKWVIFSA-N -2 3 394.387 2.407 20 30 GEEDHL N#Cc1nc(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[n-]c1C#N ZINC000737730403 598699612 /nfs/dbraw/zinc/69/96/12/598699612.db2.gz KFNRUJOLUPRKMS-UHFFFAOYSA-N -2 3 397.358 2.378 20 30 GEEDHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2cccc(C#N)c2)c([O-])c1 ZINC000832912142 601352105 /nfs/dbraw/zinc/35/21/05/601352105.db2.gz VWENECNFMROYJD-GOSISDBHSA-N -2 3 382.372 2.061 20 30 GEEDHL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825481255 607534961 /nfs/dbraw/zinc/53/49/61/607534961.db2.gz UWLVSEZPHMPDBX-UHFFFAOYSA-N -2 3 383.437 2.279 20 30 GEEDHL CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825481255 607534963 /nfs/dbraw/zinc/53/49/63/607534963.db2.gz UWLVSEZPHMPDBX-UHFFFAOYSA-N -2 3 383.437 2.279 20 30 GEEDHL C#CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000825605652 602123141 /nfs/dbraw/zinc/12/31/41/602123141.db2.gz LBNFOZAZEWDPHG-UHFFFAOYSA-N -2 3 378.219 2.368 20 30 GEEDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(F)cc1OCC#N ZINC000822151313 607155336 /nfs/dbraw/zinc/15/53/36/607155336.db2.gz AVRFDGRTYAGIBD-UHFFFAOYSA-N -2 3 388.384 2.017 20 30 GEEDHL N#CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826382040 609526633 /nfs/dbraw/zinc/52/66/33/609526633.db2.gz MCKOWJAJDIVZSK-UHFFFAOYSA-N -2 3 390.812 2.223 20 30 GEEDHL N#CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826382040 609526635 /nfs/dbraw/zinc/52/66/35/609526635.db2.gz MCKOWJAJDIVZSK-UHFFFAOYSA-N -2 3 390.812 2.223 20 30 GEEDHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000826255781 609530219 /nfs/dbraw/zinc/53/02/19/609530219.db2.gz KHZQDWCEOAPMEK-LBPRGKRZSA-N -2 3 384.421 2.267 20 30 GEEDHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000826255781 609530221 /nfs/dbraw/zinc/53/02/21/609530221.db2.gz KHZQDWCEOAPMEK-LBPRGKRZSA-N -2 3 384.421 2.267 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)[O-] ZINC000776597707 653362627 /nfs/dbraw/zinc/36/26/27/653362627.db2.gz QIKGDWWRUPLCQY-JTQLQIEISA-N -2 3 393.215 2.055 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000837293562 653423103 /nfs/dbraw/zinc/42/31/03/653423103.db2.gz XSBBOCFZRBZIBH-QMMMGPOBSA-N -2 3 381.859 2.194 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000837293560 653423240 /nfs/dbraw/zinc/42/32/40/653423240.db2.gz XSBBOCFZRBZIBH-MRVPVSSYSA-N -2 3 381.859 2.194 20 30 GEEDHL CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]OC/C=C/Cl ZINC000812405564 653427379 /nfs/dbraw/zinc/42/73/79/653427379.db2.gz BNJCAGFVQHDEIX-PPOCWRSBSA-N -2 3 385.873 2.084 20 30 GEEDHL CC(C)(CC#N)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840896717 653699378 /nfs/dbraw/zinc/69/93/78/653699378.db2.gz MRUHVBBDNVWSTF-UHFFFAOYSA-N -2 3 381.273 2.427 20 30 GEEDHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000558686706 532397141 /nfs/dbraw/zinc/39/71/41/532397141.db2.gz LXWFFSWHCSLTKY-AMIZOPFISA-N -2 3 376.356 2.355 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000297108442 532566108 /nfs/dbraw/zinc/56/61/08/532566108.db2.gz ZTOSKXRDRUJZQX-GHMZBOCLSA-N -2 3 376.356 2.356 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CSCCc2ccccc2)C(=O)[O-])s1 ZINC000565930005 532584971 /nfs/dbraw/zinc/58/49/71/532584971.db2.gz IIELWNMWZJBTNT-CQSZACIVSA-N -2 3 396.515 2.327 20 30 GEEDHL CN(CC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436549600 532638085 /nfs/dbraw/zinc/63/80/85/532638085.db2.gz XSNNGFFIZPZJIT-UHFFFAOYSA-N -2 3 379.825 2.442 20 30 GEEDHL Cc1oc(C[N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)cc1C(=O)[O-] ZINC000541929536 532763386 /nfs/dbraw/zinc/76/33/86/532763386.db2.gz ZXFCIUQQLYRIFS-UHFFFAOYSA-N -2 3 399.222 2.399 20 30 GEEDHL N#Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822833732 607320491 /nfs/dbraw/zinc/32/04/91/607320491.db2.gz VIYBZZKKGLMJEO-UHFFFAOYSA-N -2 3 391.391 2.191 20 30 GEEDHL N#Cc1ccc([O-])c(NC(=O)CCCC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822833732 607320492 /nfs/dbraw/zinc/32/04/92/607320492.db2.gz VIYBZZKKGLMJEO-UHFFFAOYSA-N -2 3 391.391 2.191 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000823883749 607991367 /nfs/dbraw/zinc/99/13/67/607991367.db2.gz ZOUHWAGNYXZHKF-AWEZNQCLSA-N -2 3 397.460 2.340 20 30 GEEDHL C=C[C@@H](CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000823883749 607991368 /nfs/dbraw/zinc/99/13/68/607991368.db2.gz ZOUHWAGNYXZHKF-AWEZNQCLSA-N -2 3 397.460 2.340 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000584705146 652526268 /nfs/dbraw/zinc/52/62/68/652526268.db2.gz ZUZGQOIFWJZVNG-MRVPVSSYSA-N -2 3 382.316 2.311 20 30 GEEDHL CCCCCCCC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784895696 653700820 /nfs/dbraw/zinc/70/08/20/653700820.db2.gz HMRAXSWWTONXIY-UHFFFAOYSA-N -2 3 394.490 2.363 20 30 GEEDHL C=CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OCC)C(=O)[O-] ZINC000159598656 531787352 /nfs/dbraw/zinc/78/73/52/531787352.db2.gz BKIIYXWCLCDQNS-SNVBAGLBSA-N -2 3 378.244 2.155 20 30 GEEDHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C#N)CC(C)C)c(F)c1 ZINC000590739710 532383299 /nfs/dbraw/zinc/38/32/99/532383299.db2.gz BLVZLLYZJPSLAJ-ZDUSSCGKSA-N -2 3 391.490 2.194 20 30 GEEDHL C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000630438533 532519750 /nfs/dbraw/zinc/51/97/50/532519750.db2.gz QWXQIRKSKKQIHK-JTQLQIEISA-N -2 3 378.244 2.155 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)c2ccccc2)C(=O)[O-])s1 ZINC000566716575 532624873 /nfs/dbraw/zinc/62/48/73/532624873.db2.gz TWNZHOMGCMOVKU-ZDUSSCGKSA-N -2 3 378.431 2.014 20 30 GEEDHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000737301761 598969392 /nfs/dbraw/zinc/96/93/92/598969392.db2.gz SRFFJJFXNRMECX-UHFFFAOYSA-N -2 3 399.436 2.054 20 30 GEEDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncccc1OCCCC#N ZINC000737301761 598969394 /nfs/dbraw/zinc/96/93/94/598969394.db2.gz SRFFJJFXNRMECX-UHFFFAOYSA-N -2 3 399.436 2.054 20 30 GEEDHL C[C@@](C#N)(CC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000819810910 597649574 /nfs/dbraw/zinc/64/95/74/597649574.db2.gz HNAMBDRHUZBCSS-SFHVURJKSA-N -2 3 393.827 2.227 20 30 GEEDHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1F ZINC000738163795 600615636 /nfs/dbraw/zinc/61/56/36/600615636.db2.gz GXSAYWNJOZHZIE-OAHLLOKOSA-N -2 3 392.364 2.052 20 30 GEEDHL Cc1cccc2[nH]c(C(C#N)=C([O-])c3cn(C4CCN(C(=O)[O-])CC4)nn3)nc21 ZINC000740174051 603074182 /nfs/dbraw/zinc/07/41/82/603074182.db2.gz GCRLNJDETRFKDQ-ZDUSSCGKSA-N -2 3 393.407 2.268 20 30 GEEDHL CC(C)(C)c1[n-]n(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(=O)c1CCC#N ZINC000824141031 607973064 /nfs/dbraw/zinc/97/30/64/607973064.db2.gz ANHFHTBURJEKRP-UHFFFAOYSA-N -2 3 394.439 2.161 20 30 GEEDHL C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823883477 607984819 /nfs/dbraw/zinc/98/48/19/607984819.db2.gz QOITYBKMOPRRIN-CQSZACIVSA-N -2 3 397.460 2.173 20 30 GEEDHL C=C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823883477 607984820 /nfs/dbraw/zinc/98/48/20/607984820.db2.gz QOITYBKMOPRRIN-CQSZACIVSA-N -2 3 397.460 2.173 20 30 GEEDHL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824035560 609529690 /nfs/dbraw/zinc/52/96/90/609529690.db2.gz ZZJHRBCYZSMBLS-SNVBAGLBSA-N -2 3 388.384 2.097 20 30 GEEDHL C[C@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824035560 609529692 /nfs/dbraw/zinc/52/96/92/609529692.db2.gz ZZJHRBCYZSMBLS-SNVBAGLBSA-N -2 3 388.384 2.097 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000571018400 651805956 /nfs/dbraw/zinc/80/59/56/651805956.db2.gz LFROQXHBYCXHAH-SNVBAGLBSA-N -2 3 382.316 2.311 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000576948523 652157633 /nfs/dbraw/zinc/15/76/33/652157633.db2.gz AAJGHXONEHRWCJ-JTQLQIEISA-N -2 3 383.447 2.386 20 30 GEEDHL C=CCOC[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C(=O)[O-] ZINC000851605376 654165285 /nfs/dbraw/zinc/16/52/85/654165285.db2.gz HLVBSRTYAOUMJN-NSHDSACASA-N -2 3 378.169 2.313 20 30 GEEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650412612 532444018 /nfs/dbraw/zinc/44/40/18/532444018.db2.gz QEWWDFFJPNLIIZ-SECBINFHSA-N -2 3 385.747 2.384 20 30 GEEDHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](Oc2ccccc2)C(=O)[O-])c1 ZINC000549549304 532794661 /nfs/dbraw/zinc/79/46/61/532794661.db2.gz PHYWUDOLKXIRIT-AWEZNQCLSA-N -2 3 380.809 2.022 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000736869576 599219417 /nfs/dbraw/zinc/21/94/17/599219417.db2.gz YDMBXZZWAMUHGA-LBPRGKRZSA-N -2 3 396.794 2.381 20 30 GEEDHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c([O-])c1 ZINC000738515328 600616072 /nfs/dbraw/zinc/61/60/72/600616072.db2.gz VPYRCPGTJCKQLC-SFHVURJKSA-N -2 3 382.372 2.061 20 30 GEEDHL C=CCSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736113905 600633015 /nfs/dbraw/zinc/63/30/15/600633015.db2.gz DLYKUQHTJLMGGE-UHFFFAOYSA-N -2 3 398.275 2.484 20 30 GEEDHL N#CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000739068508 600634101 /nfs/dbraw/zinc/63/41/01/600634101.db2.gz FVNSEPMHNRJWBF-UHFFFAOYSA-N -2 3 379.207 2.259 20 30 GEEDHL COC(=O)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C(=O)[O-] ZINC000831399831 600943368 /nfs/dbraw/zinc/94/33/68/600943368.db2.gz ZWGPRQOYNTVLRR-UHFFFAOYSA-N -2 3 397.387 2.332 20 30 GEEDHL O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826403520 607531397 /nfs/dbraw/zinc/53/13/97/607531397.db2.gz URELDSXXKSTFMH-HWKANZROSA-N -2 3 377.320 2.024 20 30 GEEDHL O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000826403520 607531399 /nfs/dbraw/zinc/53/13/99/607531399.db2.gz URELDSXXKSTFMH-HWKANZROSA-N -2 3 377.320 2.024 20 30 GEEDHL O=C([O-])N1CCC(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)CC1 ZINC000831869137 603856630 /nfs/dbraw/zinc/85/66/30/603856630.db2.gz JOTHLEPJSJKEIA-AWEZNQCLSA-N -2 3 389.437 2.303 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821630149 606395740 /nfs/dbraw/zinc/39/57/40/606395740.db2.gz NRTVIDRPIJKIQR-CQSZACIVSA-N -2 3 378.417 2.086 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821630149 606395743 /nfs/dbraw/zinc/39/57/43/606395743.db2.gz NRTVIDRPIJKIQR-CQSZACIVSA-N -2 3 378.417 2.086 20 30 GEEDHL O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826402904 607983185 /nfs/dbraw/zinc/98/31/85/607983185.db2.gz FNFBNPWHQDXTSO-HWKANZROSA-N -2 3 377.320 2.024 20 30 GEEDHL O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc([N+](=O)[O-])ccc1[O-] ZINC000826402904 607983186 /nfs/dbraw/zinc/98/31/86/607983186.db2.gz FNFBNPWHQDXTSO-HWKANZROSA-N -2 3 377.320 2.024 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776598213 653363177 /nfs/dbraw/zinc/36/31/77/653363177.db2.gz YKQULNWUCWFGMS-SNVBAGLBSA-N -2 3 396.234 2.295 20 30 GEEDHL O=C([N-]C[C@@H]1C[C@H]1C(F)(F)F)C(F)(F)C(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000902971793 654206235 /nfs/dbraw/zinc/20/62/35/654206235.db2.gz BYWMIPKOPZFUJV-RULNZFCNSA-N -2 3 382.251 2.251 20 30 GEEDHL C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000630438534 532520449 /nfs/dbraw/zinc/52/04/49/532520449.db2.gz QWXQIRKSKKQIHK-SNVBAGLBSA-N -2 3 378.244 2.155 20 30 GEEDHL C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)[O-] ZINC000275196250 532868548 /nfs/dbraw/zinc/86/85/48/532868548.db2.gz NBPKDXHHFZJARR-YPMHNXCESA-N -2 3 389.857 2.063 20 30 GEEDHL COC(=O)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C(=O)[O-] ZINC000831264684 600942812 /nfs/dbraw/zinc/94/28/12/600942812.db2.gz LUDYZOAVICMMKN-UHFFFAOYSA-N -2 3 397.387 2.332 20 30 GEEDHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000825631900 607533940 /nfs/dbraw/zinc/53/39/40/607533940.db2.gz IJPZKOCFGXQURS-UHFFFAOYSA-N -2 3 384.421 2.246 20 30 GEEDHL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823856047 607535033 /nfs/dbraw/zinc/53/50/33/607535033.db2.gz GPSUNNUXXORIKT-UHFFFAOYSA-N -2 3 387.396 2.127 20 30 GEEDHL C#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823856047 607535034 /nfs/dbraw/zinc/53/50/34/607535034.db2.gz GPSUNNUXXORIKT-UHFFFAOYSA-N -2 3 387.396 2.127 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2(C(=O)[O-])CCCCC2)ccc1F ZINC000833376981 604868391 /nfs/dbraw/zinc/86/83/91/604868391.db2.gz XLDXKWQQIZFCAM-UHFFFAOYSA-N -2 3 398.456 2.150 20 30 GEEDHL C[C@@H](C(=O)[O-])n1cccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000833405620 605037702 /nfs/dbraw/zinc/03/77/02/605037702.db2.gz GBWNYBQBWSTWBN-XHDPSFHLSA-N -2 3 399.432 2.409 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000826386086 609338848 /nfs/dbraw/zinc/33/88/48/609338848.db2.gz OHQSZVLNYVUAOL-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000826386086 609338849 /nfs/dbraw/zinc/33/88/49/609338849.db2.gz OHQSZVLNYVUAOL-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000542859524 650892488 /nfs/dbraw/zinc/89/24/88/650892488.db2.gz VZCLFULARHUZNP-SNVBAGLBSA-N -2 3 380.647 2.247 20 30 GEEDHL CCOc1cc(/C=C\C(=O)c2cnc([O-])n(C)c2=O)cc(Br)c1[O-] ZINC000255135580 645577319 /nfs/dbraw/zinc/57/73/19/645577319.db2.gz MRHUPVKHSFAHFE-PLNGDYQASA-N -2 3 395.209 2.249 20 30 GEEDHL CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)[N-]OC/C=C\Cl ZINC000812405563 653427290 /nfs/dbraw/zinc/42/72/90/653427290.db2.gz BNJCAGFVQHDEIX-HKBVPSITSA-N -2 3 385.873 2.084 20 30 GEEDHL N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000840890729 653697971 /nfs/dbraw/zinc/69/79/71/653697971.db2.gz QFESIAKCNDYHNF-YUMQZZPRSA-N -2 3 377.216 2.101 20 30 GEEDHL N#Cc1sccc1S(=O)(=O)[N-][C@H](CSCCc1ccccc1)C(=O)[O-] ZINC000593257371 532477777 /nfs/dbraw/zinc/47/77/77/532477777.db2.gz AEFIYBKADAVCJL-CYBMUJFWSA-N -2 3 396.515 2.327 20 30 GEEDHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2CC#N)c(F)c1 ZINC000509378403 532767747 /nfs/dbraw/zinc/76/77/47/532767747.db2.gz KQNXWSKALIZKFG-UHFFFAOYSA-N -2 3 383.426 2.064 20 30 GEEDHL Cc1c(C(=O)C=Cc2cc([O-])ccc2[N+](=O)[O-])c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016037 607460100 /nfs/dbraw/zinc/46/01/00/607460100.db2.gz UHLVEITVYRTIGY-DAXSKMNVSA-N -2 3 380.364 2.433 20 30 GEEDHL Cc1c(C(=O)C=Cc2cc([O-])ccc2[N+](=O)[O-])c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016037 607460101 /nfs/dbraw/zinc/46/01/01/607460101.db2.gz UHLVEITVYRTIGY-DAXSKMNVSA-N -2 3 380.364 2.433 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C ZINC000829821396 603579291 /nfs/dbraw/zinc/57/92/91/603579291.db2.gz RFYGSXKEASPDQN-MRXNPFEDSA-N -2 3 376.457 2.349 20 30 GEEDHL CCN(CC1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1)C(=O)[O-] ZINC000827059523 603755334 /nfs/dbraw/zinc/75/53/34/603755334.db2.gz OVCPCGKTKBYAQO-UHFFFAOYSA-N -2 3 388.468 2.447 20 30 GEEDHL C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000819734457 606394662 /nfs/dbraw/zinc/39/46/62/606394662.db2.gz OESGZLZTZDQECV-UHFFFAOYSA-N -2 3 389.359 2.047 20 30 GEEDHL C=CCCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000819734457 606394664 /nfs/dbraw/zinc/39/46/64/606394664.db2.gz OESGZLZTZDQECV-UHFFFAOYSA-N -2 3 389.359 2.047 20 30 GEEDHL C[C@@H](Oc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1)C(=O)[O-] ZINC000824737325 608538455 /nfs/dbraw/zinc/53/84/55/608538455.db2.gz FBYUZILUXCIXRV-SECBINFHSA-N -2 3 387.787 2.213 20 30 GEEDHL C[C@@H](Oc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1)C(=O)[O-] ZINC000824737325 608538456 /nfs/dbraw/zinc/53/84/56/608538456.db2.gz FBYUZILUXCIXRV-SECBINFHSA-N -2 3 387.787 2.213 20 30 GEEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000542857638 650892241 /nfs/dbraw/zinc/89/22/41/650892241.db2.gz AJZJXUGQPMYFOS-SNVBAGLBSA-N -2 3 380.647 2.247 20 30 GEEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000542857636 650892277 /nfs/dbraw/zinc/89/22/77/650892277.db2.gz AJZJXUGQPMYFOS-JTQLQIEISA-N -2 3 380.647 2.247 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000776596417 653362608 /nfs/dbraw/zinc/36/26/08/653362608.db2.gz FAIHCSCYGILFKM-JTQLQIEISA-N -2 3 396.234 2.295 20 30 GEEDHL CC(=O)N(c1nc(C=Nn2c(=O)[n-][n-]c2=O)cs1)c1cccc(Cl)c1 ZINC000814231290 653625488 /nfs/dbraw/zinc/62/54/88/653625488.db2.gz BQXLQHWVPPHEQL-UHFFFAOYSA-N -2 3 378.801 2.366 20 30 GEEDHL C=CCOCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871984558 654301108 /nfs/dbraw/zinc/30/11/08/654301108.db2.gz XTKQUTMNHQQIPM-UHFFFAOYSA-N -2 3 384.273 2.080 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c(C(F)(F)F)c1 ZINC000593278628 532480541 /nfs/dbraw/zinc/48/05/41/532480541.db2.gz RSURWOOJFYPRRF-NSHDSACASA-N -2 3 376.356 2.356 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000565759851 532575859 /nfs/dbraw/zinc/57/58/59/532575859.db2.gz IRRRDDHNKFIWJQ-VIFPVBQESA-N -2 3 393.215 2.055 20 30 GEEDHL N#Cc1c(Br)cccc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000263472991 532627146 /nfs/dbraw/zinc/62/71/46/532627146.db2.gz IJONVHZEUCASHR-UHFFFAOYSA-N -2 3 387.255 2.242 20 30 GEEDHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000275064655 532862951 /nfs/dbraw/zinc/86/29/51/532862951.db2.gz KEEKVHQEFUIEQN-SNVBAGLBSA-N -2 3 382.385 2.062 20 30 GEEDHL CC#CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276868360 532902408 /nfs/dbraw/zinc/90/24/08/532902408.db2.gz HIXPMECNXSRVOR-SECBINFHSA-N -2 3 380.647 2.247 20 30 GEEDHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000736635559 598948341 /nfs/dbraw/zinc/94/83/41/598948341.db2.gz XRUSFKJQLWREME-UHFFFAOYSA-N -2 3 384.421 2.246 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000736869462 599219429 /nfs/dbraw/zinc/21/94/29/599219429.db2.gz XJQRTUKGTFBPQV-AWEZNQCLSA-N -2 3 396.794 2.381 20 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ZINC000737732306 599604376 /nfs/dbraw/zinc/60/43/76/599604376.db2.gz YIJBCXNZHVNWOY-UHFFFAOYSA-N -2 3 396.374 2.329 20 30 GEEDHL CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821056644 599620019 /nfs/dbraw/zinc/62/00/19/599620019.db2.gz VJXIGOYRKVQSDQ-UHFFFAOYSA-N -2 3 395.485 2.049 20 30 GEEDHL CCCCCCCCOCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821056644 599620020 /nfs/dbraw/zinc/62/00/20/599620020.db2.gz VJXIGOYRKVQSDQ-UHFFFAOYSA-N -2 3 395.485 2.049 20 30 GEEDHL C=C(C)COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000825647631 602329152 /nfs/dbraw/zinc/32/91/52/602329152.db2.gz SDDZRLCTFUMUOB-UHFFFAOYSA-N -2 3 396.234 2.157 20 30 GEEDHL N#CCc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000581175824 652404923 /nfs/dbraw/zinc/40/49/23/652404923.db2.gz YHUCLVMURHCTKF-VIFPVBQESA-N -2 3 384.763 2.338 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000584157439 652511566 /nfs/dbraw/zinc/51/15/66/652511566.db2.gz ZLCNBTNYKSTQJM-SECBINFHSA-N -2 3 378.809 2.135 20 30 GEEDHL C[C@@H](C#N)CN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000519765076 532478445 /nfs/dbraw/zinc/47/84/45/532478445.db2.gz VXNWRNKDWQMVIO-QMMMGPOBSA-N -2 3 381.332 2.032 20 30 GEEDHL CCCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)[O-] ZINC000263485281 532627671 /nfs/dbraw/zinc/62/76/71/532627671.db2.gz MLBLWCHLGLZXRC-NSHDSACASA-N -2 3 375.244 2.242 20 30 GEEDHL C[C@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436539361 532637006 /nfs/dbraw/zinc/63/70/06/532637006.db2.gz OKIHKYFEKARRFD-SNVBAGLBSA-N -2 3 379.825 2.488 20 30 GEEDHL C=CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000275196247 532868554 /nfs/dbraw/zinc/86/85/54/532868554.db2.gz NBPKDXHHFZJARR-AAEUAGOBSA-N -2 3 389.857 2.063 20 30 GEEDHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)(C(=O)[O-])C1(C)C ZINC000275409157 532875676 /nfs/dbraw/zinc/87/56/76/532875676.db2.gz AFGNFQDDHGOCEU-BBRMVZONSA-N -2 3 386.857 2.148 20 30 GEEDHL C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735427807 598726669 /nfs/dbraw/zinc/72/66/69/598726669.db2.gz FXQCMOYMZHGMNY-KRWDZBQOSA-N -2 3 388.387 2.284 20 30 GEEDHL N#Cc1cccc(CNC(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000739133163 600315191 /nfs/dbraw/zinc/31/51/91/600315191.db2.gz FMUSPHPJESRMQI-UHFFFAOYSA-N -2 3 387.823 2.120 20 30 GEEDHL C[C@H](C(=O)[O-])n1cccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000833405615 605037900 /nfs/dbraw/zinc/03/79/00/605037900.db2.gz GBWNYBQBWSTWBN-IAQYHMDHSA-N -2 3 399.432 2.409 20 30 GEEDHL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c(F)c1 ZINC000822823469 607122802 /nfs/dbraw/zinc/12/28/02/607122802.db2.gz RKQCMNVMRIVQDC-UHFFFAOYSA-N -2 3 396.766 2.471 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1-c1nnn[n-]1 ZINC000826304154 609531255 /nfs/dbraw/zinc/53/12/55/609531255.db2.gz YTMMRRFRKJZPNA-LBPRGKRZSA-N -2 3 384.421 2.267 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1-c1nn[n-]n1 ZINC000826304154 609531257 /nfs/dbraw/zinc/53/12/57/609531257.db2.gz YTMMRRFRKJZPNA-LBPRGKRZSA-N -2 3 384.421 2.267 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000571018399 651806015 /nfs/dbraw/zinc/80/60/15/651806015.db2.gz LFROQXHBYCXHAH-JTQLQIEISA-N -2 3 382.316 2.311 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000776596957 653362544 /nfs/dbraw/zinc/36/25/44/653362544.db2.gz KQKJFBMYYVQNGG-LLVKDONJSA-N -2 3 396.248 2.478 20 30 GEEDHL N#Cc1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000262446876 532595090 /nfs/dbraw/zinc/59/50/90/532595090.db2.gz QNYAKNUNUDARAM-UHFFFAOYSA-N -2 3 376.356 2.499 20 30 GEEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433599756 532573943 /nfs/dbraw/zinc/57/39/43/532573943.db2.gz NDZKLPARXNRIQL-UHFFFAOYSA-N -2 3 383.426 2.178 20 30 GEEDHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(=O)[O-] ZINC000263499836 532628050 /nfs/dbraw/zinc/62/80/50/532628050.db2.gz SNSGTBUEJLIGDI-NSHDSACASA-N -2 3 375.244 2.242 20 30 GEEDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)[O-] ZINC000263554867 532630096 /nfs/dbraw/zinc/63/00/96/532630096.db2.gz NQLYKLPEBRODHA-UFBFGSQYSA-N -2 3 375.244 2.098 20 30 GEEDHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000275814534 532883425 /nfs/dbraw/zinc/88/34/25/532883425.db2.gz YCMWGYKUVANEOG-BBRMVZONSA-N -2 3 386.857 2.148 20 30 GEEDHL O=C([O-])c1ccc(O)c(C=Nn2c([C@H]3COc4ccccc4O3)n[n-]c2=S)c1 ZINC000740161950 599907448 /nfs/dbraw/zinc/90/74/48/599907448.db2.gz VNSQLYAFDYUBGH-OAHLLOKOSA-N -2 3 398.400 2.365 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000596004449 601475023 /nfs/dbraw/zinc/47/50/23/601475023.db2.gz XNTDNBNQHITDNT-IBGZPJMESA-N -2 3 379.416 2.419 20 30 GEEDHL C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000819745622 607194582 /nfs/dbraw/zinc/19/45/82/607194582.db2.gz MOCGNAFXXWVLBV-UHFFFAOYSA-N -2 3 380.364 2.309 20 30 GEEDHL C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000819745622 607194583 /nfs/dbraw/zinc/19/45/83/607194583.db2.gz MOCGNAFXXWVLBV-UHFFFAOYSA-N -2 3 380.364 2.309 20 30 GEEDHL COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OCC(=O)[O-] ZINC000826178860 609269797 /nfs/dbraw/zinc/26/97/97/609269797.db2.gz OZLGCWSBZKPHSU-QHHAFSJGSA-N -2 3 398.350 2.374 20 30 GEEDHL COc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OCC(=O)[O-] ZINC000826178860 609269798 /nfs/dbraw/zinc/26/97/98/609269798.db2.gz OZLGCWSBZKPHSU-QHHAFSJGSA-N -2 3 398.350 2.374 20 30 GEEDHL CC#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)[O-] ZINC000519631164 650610509 /nfs/dbraw/zinc/61/05/09/650610509.db2.gz FCNBTYCZGRVGRK-NSHDSACASA-N -2 3 378.219 2.042 20 30 GEEDHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C#N)cc1F ZINC000546086774 650991196 /nfs/dbraw/zinc/99/11/96/650991196.db2.gz LNTHDFYSGITIIW-UHFFFAOYSA-N -2 3 387.389 2.009 20 30 GEEDHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603975032 651506202 /nfs/dbraw/zinc/50/62/02/651506202.db2.gz DZFFOQHOROCBPR-UHFFFAOYSA-N -2 3 385.854 2.384 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000837291601 653421525 /nfs/dbraw/zinc/42/15/25/653421525.db2.gz LHOKRAFALSLKSG-MRVPVSSYSA-N -2 3 396.248 2.478 20 30 GEEDHL C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000864451316 653737065 /nfs/dbraw/zinc/73/70/65/653737065.db2.gz FMAYEABZWIRFBZ-JTQLQIEISA-N -2 3 396.234 2.295 20 30 GEEDHL C#C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C1CCOCC1 ZINC000871987161 654302043 /nfs/dbraw/zinc/30/20/43/654302043.db2.gz UYVIRAWOCSQFAS-LBPRGKRZSA-N -2 3 392.260 2.398 20 30 GEEDHL C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436539360 532637217 /nfs/dbraw/zinc/63/72/17/532637217.db2.gz OKIHKYFEKARRFD-JTQLQIEISA-N -2 3 379.825 2.488 20 30 GEEDHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(=O)[O-] ZINC000548581341 532792374 /nfs/dbraw/zinc/79/23/74/532792374.db2.gz YISOEAFIIIYTFJ-LLVKDONJSA-N 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COc1ccc(N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N-]S(C)(=O)=O ZINC000738039783 600592081 /nfs/dbraw/zinc/59/20/81/600592081.db2.gz OQCFLXOHDKUZOK-MRXNPFEDSA-N -2 3 375.406 2.176 20 30 GEEDHL COc1ccc(N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1[N-]S(C)(=O)=O ZINC000832407588 601299441 /nfs/dbraw/zinc/29/94/41/601299441.db2.gz HTKJFMHNQBTONE-INIZCTEOSA-N -2 3 375.406 2.176 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC000737532121 602069573 /nfs/dbraw/zinc/06/95/73/602069573.db2.gz GEQZUGKFGAOCCK-UHFFFAOYSA-N -2 3 392.408 2.169 20 30 GEEDHL Cn1cc(C=NNc2ccccc2C(=O)[O-])c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360595 609305007 /nfs/dbraw/zinc/30/50/07/609305007.db2.gz QLXREKKIFPSKGS-UHFFFAOYSA-N -2 3 388.391 2.411 20 30 GEEDHL Cn1cc(C=NNc2ccccc2C(=O)[O-])c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360595 609305008 /nfs/dbraw/zinc/30/50/08/609305008.db2.gz QLXREKKIFPSKGS-UHFFFAOYSA-N -2 3 388.391 2.411 20 30 GEEDHL N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000826386331 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IHJRWWNPNMGVRQ-UHFFFAOYSA-N -2 3 386.375 2.190 20 30 GEEDHL Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360658 609302922 /nfs/dbraw/zinc/30/29/22/609302922.db2.gz SVCRUXAEEKZPMU-UHFFFAOYSA-N -2 3 388.391 2.411 20 30 GEEDHL Cn1cc(C=NNc2cccc(C(=O)[O-])c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360658 609302923 /nfs/dbraw/zinc/30/29/23/609302923.db2.gz SVCRUXAEEKZPMU-UHFFFAOYSA-N -2 3 388.391 2.411 20 30 GEEDHL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000581770609 652425245 /nfs/dbraw/zinc/42/52/45/652425245.db2.gz SWXVIBMMFYMTGD-QMMMGPOBSA-N -2 3 396.234 2.295 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776598212 653363267 /nfs/dbraw/zinc/36/32/67/653363267.db2.gz YKQULNWUCWFGMS-JTQLQIEISA-N -2 3 396.234 2.295 20 30 GEEDHL COc1c(Br)cc(C=Nn2c(=O)[n-][n-]c2=O)cc1Br ZINC000814233290 653625478 /nfs/dbraw/zinc/62/54/78/653625478.db2.gz JSPRUVFBOMSXHS-UHFFFAOYSA-N -2 3 392.007 2.105 20 30 GEEDHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1ccc(C(F)(F)F)nc1 ZINC000782249611 653657708 /nfs/dbraw/zinc/65/77/08/653657708.db2.gz MRXVJBMGGSXWPK-UHFFFAOYSA-N -2 3 390.240 2.357 20 30 GEEDHL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826384069 653950321 /nfs/dbraw/zinc/95/03/21/653950321.db2.gz FUFBGUWVVBLHMH-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826384069 653950322 /nfs/dbraw/zinc/95/03/22/653950322.db2.gz FUFBGUWVVBLHMH-UHFFFAOYSA-N -2 3 378.776 2.332 20 30 GEEDHL N#Cc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000263496283 532627997 /nfs/dbraw/zinc/62/79/97/532627997.db2.gz QXLCNQHVMDVSGG-UHFFFAOYSA-N -2 3 387.255 2.242 20 30 GEEDHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1C#N)C(=O)[O-] ZINC000263539211 532630506 /nfs/dbraw/zinc/63/05/06/532630506.db2.gz BNGHSKLHHKZWSA-LLVKDONJSA-N -2 3 375.244 2.098 20 30 GEEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822015201 607254998 /nfs/dbraw/zinc/25/49/98/607254998.db2.gz FRMJDSORQREGPT-UHFFFAOYSA-N -2 3 376.348 2.126 20 30 GEEDHL Cc1c(C#N)cccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822015201 607254999 /nfs/dbraw/zinc/25/49/99/607254999.db2.gz FRMJDSORQREGPT-UHFFFAOYSA-N -2 3 376.348 2.126 20 30 GEEDHL Cc1c(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202105 598377065 /nfs/dbraw/zinc/37/70/65/598377065.db2.gz JTZOYPIMOZUWBI-ALCCZGGFSA-N -2 3 380.364 2.433 20 30 GEEDHL Cc1c(C(=O)C=Cc2ccc([O-])c([N+](=O)[O-])c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202105 598377067 /nfs/dbraw/zinc/37/70/67/598377067.db2.gz JTZOYPIMOZUWBI-ALCCZGGFSA-N -2 3 380.364 2.433 20 30 GEEDHL C=CCNC(=O)C(C#N)=C([O-])c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735427808 598726643 /nfs/dbraw/zinc/72/66/43/598726643.db2.gz FXQCMOYMZHGMNY-QGZVFWFLSA-N -2 3 388.387 2.284 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(=O)[O-])ccc1F ZINC000736105762 599838307 /nfs/dbraw/zinc/83/83/07/599838307.db2.gz IWKOKEFZAVUCDE-UHFFFAOYSA-N -2 3 392.408 2.265 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F ZINC000738230838 599977311 /nfs/dbraw/zinc/97/73/11/599977311.db2.gz RDSIBOJWCOFBSL-KRWDZBQOSA-N -2 3 389.358 2.429 20 30 GEEDHL COc1ccc(N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1[N-]S(C)(=O)=O ZINC000738039781 600592063 /nfs/dbraw/zinc/59/20/63/600592063.db2.gz OQCFLXOHDKUZOK-INIZCTEOSA-N -2 3 375.406 2.176 20 30 GEEDHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c([O-])c1 ZINC000738515326 600616090 /nfs/dbraw/zinc/61/60/90/600616090.db2.gz VPYRCPGTJCKQLC-GOSISDBHSA-N -2 3 382.372 2.061 20 30 GEEDHL C=CC[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])s2)ccc1F ZINC000825692106 602002133 /nfs/dbraw/zinc/00/21/33/602002133.db2.gz IGSGOALGQUAREA-UHFFFAOYSA-N -2 3 399.421 2.407 20 30 GEEDHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@](C)(CNC(=O)[O-])CC(C)C ZINC000740028469 603223882 /nfs/dbraw/zinc/22/38/82/603223882.db2.gz RPMQYZTXLRLUNW-IBGZPJMESA-N -2 3 376.457 2.397 20 30 GEEDHL O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822924204 606304734 /nfs/dbraw/zinc/30/47/34/606304734.db2.gz YTZSXBXYFQQZQC-RQOWECAXSA-N -2 3 397.460 2.362 20 30 GEEDHL O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000822924204 606304737 /nfs/dbraw/zinc/30/47/37/606304737.db2.gz YTZSXBXYFQQZQC-RQOWECAXSA-N -2 3 397.460 2.362 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821630148 606395604 /nfs/dbraw/zinc/39/56/04/606395604.db2.gz NRTVIDRPIJKIQR-AWEZNQCLSA-N -2 3 378.417 2.086 20 30 GEEDHL CNC(=O)C(C#N)=C([O-])c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821630148 606395606 /nfs/dbraw/zinc/39/56/06/606395606.db2.gz NRTVIDRPIJKIQR-AWEZNQCLSA-N -2 3 378.417 2.086 20 30 GEEDHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000821309034 607034482 /nfs/dbraw/zinc/03/44/82/607034482.db2.gz JOOUKKBASLZVRX-UHFFFAOYSA-N -2 3 387.400 2.110 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1-c1nnn[n-]1 ZINC000826304153 609531282 /nfs/dbraw/zinc/53/12/82/609531282.db2.gz YTMMRRFRKJZPNA-GFCCVEGCSA-N -2 3 384.421 2.267 20 30 GEEDHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2O[C@H](C)C#N)c1-c1nn[n-]n1 ZINC000826304153 609531283 /nfs/dbraw/zinc/53/12/83/609531283.db2.gz YTMMRRFRKJZPNA-GFCCVEGCSA-N -2 3 384.421 2.267 20 30 GEEDHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccccc1O[C@@H](C)C#N ZINC000826279738 609531369 /nfs/dbraw/zinc/53/13/69/609531369.db2.gz ABVKFSQSLAFBBY-LBPRGKRZSA-N -2 3 384.421 2.267 20 30 GEEDHL CSc1[n-]c(=O)c(C(=O)NCc2ccc([O-])c(Br)c2)cc1C#N ZINC000151606458 643948709 /nfs/dbraw/zinc/94/87/09/643948709.db2.gz RRCJUTPIFCVKDP-UHFFFAOYSA-N -2 3 394.250 2.367 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000569431606 651713240 /nfs/dbraw/zinc/71/32/40/651713240.db2.gz UKRLZMOTUPOFIV-MRVPVSSYSA-N -2 3 393.215 2.055 20 30 GEEDHL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000581770608 652425273 /nfs/dbraw/zinc/42/52/73/652425273.db2.gz SWXVIBMMFYMTGD-MRVPVSSYSA-N -2 3 396.234 2.295 20 30 GEEDHL C=CCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000776597015 653362662 /nfs/dbraw/zinc/36/26/62/653362662.db2.gz LDCVHWDBFCSHHK-SNVBAGLBSA-N -2 3 393.215 2.055 20 30 GEEDHL C=CCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788439604 653756166 /nfs/dbraw/zinc/75/61/66/653756166.db2.gz CEHQFVJDKVBBPW-QMMMGPOBSA-N -2 3 381.859 2.194 20 30 GEEDHL C=C(C)COCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844897205 653826527 /nfs/dbraw/zinc/82/65/27/653826527.db2.gz MITOQSTXGBOUOS-UHFFFAOYSA-N -2 3 384.273 2.080 20 30 GEEDHL O=S1(=O)[N-]C(=NN=Cc2ccc([O-])c(Br)c2)c2ccccc21 ZINC000914599510 654855530 /nfs/dbraw/zinc/85/55/30/654855530.db2.gz FEAWMVGUZLSGEP-UHFFFAOYSA-N -2 3 380.223 2.227 20 30 GEEDHL