smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC001569564251 1085380370 /nfs/dbraw/zinc/38/03/70/1085380370.db2.gz SHUMJPHZCRPFAT-INIZCTEOSA-N -1 3 326.352 2.507 10 30 EFEEHM CCCCCCCN1CC2(C1)C[C@H](NC(=O)c1ccccc1[O-])CO2 ZINC001570238109 1086078737 /nfs/dbraw/zinc/07/87/37/1086078737.db2.gz OVMWDOJCDPZKCB-INIZCTEOSA-N -1 3 346.471 2.936 10 30 EFEEHM C=CCCC(=O)NC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001571782982 1087120291 /nfs/dbraw/zinc/12/02/91/1087120291.db2.gz RSESEJCLXWFFBO-UHFFFAOYSA-N -1 3 330.428 2.858 10 30 EFEEHM C#CCCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001571905071 1087186122 /nfs/dbraw/zinc/18/61/22/1087186122.db2.gz UPTHNOSNRHDKGF-UHFFFAOYSA-N -1 3 342.439 2.745 10 30 EFEEHM C=C1CC(C)(C(=O)N[C@@H](C)CCCNC(=O)c2ccccc2[O-])C1 ZINC001572151430 1087362540 /nfs/dbraw/zinc/36/25/40/1087362540.db2.gz SMKRUWNQIZFJAJ-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001572385901 1087448187 /nfs/dbraw/zinc/44/81/87/1087448187.db2.gz ITBHATWITCSSGO-GJZGRUSLSA-N -1 3 342.439 2.858 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001572573820 1087540077 /nfs/dbraw/zinc/54/00/77/1087540077.db2.gz CCZFASFMRHWHLC-HNNXBMFYSA-N -1 3 342.439 2.883 10 30 EFEEHM C=CCCC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001573621700 1087826169 /nfs/dbraw/zinc/82/61/69/1087826169.db2.gz UWZWGNHGCHZMCT-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC001574702683 1088056150 /nfs/dbraw/zinc/05/61/50/1088056150.db2.gz YVBBOLPFOBNRAL-YWZLYKJASA-N -1 3 342.439 2.717 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCOC[C@@H]1C(C)C ZINC001646899202 1088507606 /nfs/dbraw/zinc/50/76/06/1088507606.db2.gz IVPVUXHJNAKEQB-SJORKVTESA-N -1 3 346.427 2.813 10 30 EFEEHM C=C1CCC(C(=O)N(C)CCCNC(=O)c2ccccc2[O-])CC1 ZINC001576785376 1089459528 /nfs/dbraw/zinc/45/95/28/1089459528.db2.gz KICDUJNOXZEGMZ-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=CCn1ncc2ccc(NC(=O)Cc3c(C)nc(C)[n-]c3=O)cc21 ZINC001648045910 1089936544 /nfs/dbraw/zinc/93/65/44/1089936544.db2.gz JDPDDQYIUWIBDY-UHFFFAOYSA-N -1 3 337.383 2.516 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001577709659 1090142022 /nfs/dbraw/zinc/14/20/22/1090142022.db2.gz YCTYQIHKIDRBHV-HUUCEWRRSA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001582887452 1091758108 /nfs/dbraw/zinc/75/81/08/1091758108.db2.gz PAVJCZJSKGLUOL-WBVHZDCISA-N -1 3 342.439 2.553 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2nnc(C3CCCC3)o2)c1 ZINC001587205540 1092791556 /nfs/dbraw/zinc/79/15/56/1092791556.db2.gz XXRZKSKLKHPJPC-UHFFFAOYSA-N -1 3 326.356 2.642 10 30 EFEEHM Cn1nc(C(=O)N([O-])Cc2ccccc2Cl)c2ccccc2c1=O ZINC001651223748 1093540559 /nfs/dbraw/zinc/54/05/59/1093540559.db2.gz SVQQJKKDOKKWHR-UHFFFAOYSA-N -1 3 343.770 2.619 10 30 EFEEHM O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCCc2c(=O)[n-]cnc21 ZINC001595853353 1094499807 /nfs/dbraw/zinc/49/98/07/1094499807.db2.gz WSLZKVGDKDVEMV-UHFFFAOYSA-N -1 3 347.296 2.532 10 30 EFEEHM C[C@@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1nc(C(F)(F)F)n[n-]1 ZINC001597931526 1094642965 /nfs/dbraw/zinc/64/29/65/1094642965.db2.gz SQKIOGKCUPRCMC-SSDOTTSWSA-N -1 3 348.288 2.667 10 30 EFEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001622092821 1099018669 /nfs/dbraw/zinc/01/86/69/1099018669.db2.gz QZMAENKWJLRWRM-VIFPVBQESA-N -1 3 336.276 2.899 10 30 EFEEHM O=C([C@H]1C[C@@]12C(=O)Nc1ccccc12)N([O-])Cc1ccccc1Cl ZINC001611651083 1099025515 /nfs/dbraw/zinc/02/55/15/1099025515.db2.gz YISRYOGREAAZIH-ACJLOTCBSA-N -1 3 342.782 2.968 10 30 EFEEHM N#Cc1cccc(NCc2cc(=O)[n-]c(C3CCC3)n2)c1[N+](=O)[O-] ZINC001612672469 1099073254 /nfs/dbraw/zinc/07/32/54/1099073254.db2.gz RWIOGTJHMVPTQP-UHFFFAOYSA-N -1 3 325.328 2.842 10 30 EFEEHM CN(CCc1cccc(C#N)c1)Cc1nnc(-c2ccccc2[O-])o1 ZINC001620516397 1099358696 /nfs/dbraw/zinc/35/86/96/1099358696.db2.gz NJWMDCARKPVOAO-UHFFFAOYSA-N -1 3 334.379 2.988 10 30 EFEEHM C#C[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])c1ccc(F)cc1 ZINC001624784360 1099732158 /nfs/dbraw/zinc/73/21/58/1099732158.db2.gz HEHKATUAEGBGHU-MRXNPFEDSA-N -1 3 338.338 2.760 10 30 EFEEHM C=CCNC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc1 ZINC001625240340 1099784333 /nfs/dbraw/zinc/78/43/33/1099784333.db2.gz MFXHGQSHOBWHDU-UHFFFAOYSA-N -1 3 338.363 2.763 10 30 EFEEHM C[C@@H]1CCc2nc([N-]C(=O)c3nnc4ccccc4n3)c(C#N)cc2C1 ZINC001627768924 1100031623 /nfs/dbraw/zinc/03/16/23/1100031623.db2.gz WURNSSZNQHSLGV-LLVKDONJSA-N -1 3 344.378 2.669 10 30 EFEEHM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc([O-])c2F)c1 ZINC001630731537 1100334296 /nfs/dbraw/zinc/33/42/96/1100334296.db2.gz UXQLLZJBMFTDAD-UHFFFAOYSA-N -1 3 347.367 2.581 10 30 EFEEHM C#CCC1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCCCC1 ZINC001635708197 1100674902 /nfs/dbraw/zinc/67/49/02/1100674902.db2.gz NBTAVTLIDXQLPG-UHFFFAOYSA-N -1 3 342.439 2.663 10 30 EFEEHM C=CCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001635802350 1100680916 /nfs/dbraw/zinc/68/09/16/1100680916.db2.gz OWRQOFRCBWYUTR-UHFFFAOYSA-N -1 3 335.201 2.987 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001637460672 1100784134 /nfs/dbraw/zinc/78/41/34/1100784134.db2.gz WYLCPPRWIOHJJM-GFCCVEGCSA-N -1 3 336.800 2.788 10 30 EFEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(Nc2ccccc2)c1 ZINC001637667892 1100797625 /nfs/dbraw/zinc/79/76/25/1100797625.db2.gz NVKZDUQFOMFKBL-INIZCTEOSA-N -1 3 325.368 2.540 10 30 EFEEHM N#Cc1c[nH]c2cc(C(=O)Nc3cc(-c4nnn[n-]4)ccc3F)ccc12 ZINC001637745838 1100803135 /nfs/dbraw/zinc/80/31/35/1100803135.db2.gz GEWXFYPEVZCZBQ-UHFFFAOYSA-N -1 3 347.313 2.611 10 30 EFEEHM N#Cc1c[nH]c2cc(C(=O)Nc3cc(-c4nn[n-]n4)ccc3F)ccc12 ZINC001637745838 1100803139 /nfs/dbraw/zinc/80/31/39/1100803139.db2.gz GEWXFYPEVZCZBQ-UHFFFAOYSA-N -1 3 347.313 2.611 10 30 EFEEHM C#CCC(C)(C)C(=O)Nc1ccc(I)cc1[O-] ZINC001638416022 1100857321 /nfs/dbraw/zinc/85/73/21/1100857321.db2.gz ZZTLDBFIEGLFJN-UHFFFAOYSA-N -1 3 343.164 2.985 10 30 EFEEHM CCCCCCCC[C@H](O)CCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001638903484 1100897625 /nfs/dbraw/zinc/89/76/25/1100897625.db2.gz JRBMMNKMHVPECN-HNNXBMFYSA-N -1 3 349.475 2.959 10 30 EFEEHM O=C(CN1Cc2ccccc2C1=O)N([O-])CCCCc1ccccc1 ZINC001639058966 1100908437 /nfs/dbraw/zinc/90/84/37/1100908437.db2.gz XUTUJZZUBATVAK-UHFFFAOYSA-N -1 3 338.407 2.883 10 30 EFEEHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001639058243 1100908726 /nfs/dbraw/zinc/90/87/26/1100908726.db2.gz AWIBTGKPKJGFRM-WCQYABFASA-N -1 3 340.807 2.971 10 30 EFEEHM CC(C)(C)OC(=O)COCC(=O)N([O-])CCCCc1ccccc1 ZINC001639062611 1100909824 /nfs/dbraw/zinc/90/98/24/1100909824.db2.gz WGJWYUZILLDIPM-UHFFFAOYSA-N -1 3 337.416 2.585 10 30 EFEEHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001639078219 1100911040 /nfs/dbraw/zinc/91/10/40/1100911040.db2.gz CXUYFEODQAKRKI-XBXGTLAGSA-N -1 3 338.379 2.847 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cc(C#N)cs2)c1 ZINC001639615201 1100967689 /nfs/dbraw/zinc/96/76/89/1100967689.db2.gz HMUCCAWEMBULOZ-UHFFFAOYSA-N -1 3 341.392 2.722 10 30 EFEEHM N#Cc1cnc(NCc2ccc([O-])c(Br)c2)c([N+](=O)[O-])c1 ZINC001639646739 1100970047 /nfs/dbraw/zinc/97/00/47/1100970047.db2.gz RAKWIRUBAZSSSF-UHFFFAOYSA-N -1 3 349.144 2.942 10 30 EFEEHM C=CCOc1ccc(CC(=O)[N-]OCCOc2ccccc2)cc1 ZINC001640504294 1101053859 /nfs/dbraw/zinc/05/38/59/1101053859.db2.gz JIOSSLHBJPNWOV-UHFFFAOYSA-N -1 3 327.380 2.921 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1cnc(-c2ccccc2)nc1 ZINC001641003668 1101095135 /nfs/dbraw/zinc/09/51/35/1101095135.db2.gz QQPCINBFIZVNJX-UHFFFAOYSA-N -1 3 325.397 2.919 10 30 EFEEHM COC(=O)c1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)c([O-])c(OC)c1 ZINC001653219985 1101599026 /nfs/dbraw/zinc/59/90/26/1101599026.db2.gz FZEPMZYQKDKHEH-SFHVURJKSA-N -1 3 344.367 2.600 10 30 EFEEHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001654141559 1101686917 /nfs/dbraw/zinc/68/69/17/1101686917.db2.gz KDBISPUYTNQKOP-UHFFFAOYSA-N -1 3 334.210 2.587 10 30 EFEEHM O=C(CC1CCCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001654811639 1101758613 /nfs/dbraw/zinc/75/86/13/1101758613.db2.gz LAYIFQHLCFCFBB-UHFFFAOYSA-N -1 3 344.411 2.861 10 30 EFEEHM CCCCCCN([O-])C(=O)CCN1c2ccccc2O[C@H](C)C1=O ZINC001654819822 1101759182 /nfs/dbraw/zinc/75/91/82/1101759182.db2.gz SGBWDDAZEZRFPW-CQSZACIVSA-N -1 3 334.416 2.989 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(C)C ZINC001655162815 1101790749 /nfs/dbraw/zinc/79/07/49/1101790749.db2.gz BJVAJIZWTGEDEI-JTQLQIEISA-N -1 3 328.846 2.886 10 30 EFEEHM N#Cc1cccc(OCCCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001660016978 1102584402 /nfs/dbraw/zinc/58/44/02/1102584402.db2.gz PURHUCATMRJDSN-UHFFFAOYSA-N -1 3 336.395 2.716 10 30 EFEEHM Cn1nc(Br)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001654813718 1102659124 /nfs/dbraw/zinc/65/91/24/1102659124.db2.gz AAQRTDARDFAJCI-UHFFFAOYSA-N -1 3 344.596 2.868 10 30 EFEEHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccncc1 ZINC001660307267 1102679848 /nfs/dbraw/zinc/67/98/48/1102679848.db2.gz NJSFMVLHYPYPON-LLVKDONJSA-N -1 3 341.795 2.865 10 30 EFEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001661750544 1103405445 /nfs/dbraw/zinc/40/54/45/1103405445.db2.gz ATOYYVRKVLNNCA-SNVBAGLBSA-N -1 3 348.237 2.977 10 30 EFEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001663061802 1103952572 /nfs/dbraw/zinc/95/25/72/1103952572.db2.gz QTNWCQHBEIKLQC-LBPRGKRZSA-N -1 3 329.393 2.554 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000906411894 1104179728 /nfs/dbraw/zinc/17/97/28/1104179728.db2.gz SOBVKNPXYDHZCH-RDJZCZTQSA-N -1 3 339.395 2.665 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(=O)OCC ZINC001665797151 1104785882 /nfs/dbraw/zinc/78/58/82/1104785882.db2.gz OSWCEMOIKPAESM-OFAQMXQXSA-N -1 3 337.441 2.783 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC ZINC001666159215 1104887273 /nfs/dbraw/zinc/88/72/73/1104887273.db2.gz CTECCQZEGPUYPX-GFCCVEGCSA-N -1 3 349.811 2.655 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC001666344308 1104929851 /nfs/dbraw/zinc/92/98/51/1104929851.db2.gz OHWIBJAWHIPYRF-UHFFFAOYSA-N -1 3 330.812 2.879 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001667631986 1105169802 /nfs/dbraw/zinc/16/98/02/1105169802.db2.gz SGPRGBVSHOEOBE-UHFFFAOYSA-N -1 3 346.475 2.552 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001678809807 1107305579 /nfs/dbraw/zinc/30/55/79/1107305579.db2.gz MGLQMACECMAKKV-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM CC(C)(C)OC(=O)CSCC(=O)N([O-])Cc1ccc(F)cc1 ZINC000904175823 1107692449 /nfs/dbraw/zinc/69/24/49/1107692449.db2.gz XMPGIZOXRUJGIV-UHFFFAOYSA-N -1 3 329.393 2.618 10 30 EFEEHM CC(=O)N1CCC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178548 1107695363 /nfs/dbraw/zinc/69/53/63/1107695363.db2.gz NHHULTXMOKIYGM-CYBMUJFWSA-N -1 3 331.199 2.722 10 30 EFEEHM C[C@@H](NC(=O)CC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904189950 1107702850 /nfs/dbraw/zinc/70/28/50/1107702850.db2.gz DFEIUBMTPRNVII-LLVKDONJSA-N -1 3 326.824 2.999 10 30 EFEEHM C[C@@H](C(=O)N([O-])Cc1ccccc1Cl)n1nnnc1C(C)(C)C ZINC000904190127 1107702999 /nfs/dbraw/zinc/70/29/99/1107702999.db2.gz HVJLFIQATRCCHP-JTQLQIEISA-N -1 3 337.811 2.603 10 30 EFEEHM CCO[C@H]1COCC[C@@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192551 1107704846 /nfs/dbraw/zinc/70/48/46/1107704846.db2.gz QALAHLPXOYZPGW-DOMZBBRYSA-N -1 3 327.808 2.890 10 30 EFEEHM CCO[C@H]1COCC[C@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192554 1107705500 /nfs/dbraw/zinc/70/55/00/1107705500.db2.gz QALAHLPXOYZPGW-WFASDCNBSA-N -1 3 327.808 2.890 10 30 EFEEHM Cn1cc(C(=O)CCC(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904197363 1107709943 /nfs/dbraw/zinc/70/99/43/1107709943.db2.gz ALSPRVORUXONPC-UHFFFAOYSA-N -1 3 329.400 2.624 10 30 EFEEHM NC(=O)c1ccccc1CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197886 1107710095 /nfs/dbraw/zinc/71/00/95/1107710095.db2.gz PMHUZZZLUPQJNG-UHFFFAOYSA-N -1 3 340.423 2.959 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000904204693 1107718282 /nfs/dbraw/zinc/71/82/82/1107718282.db2.gz QMIUIMVZNHRSFF-INIZCTEOSA-N -1 3 333.432 2.732 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 ZINC000904214666 1107738215 /nfs/dbraw/zinc/73/82/15/1107738215.db2.gz IWQNXLYHMUVQHJ-OLZOCXBDSA-N -1 3 343.221 2.940 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001681419677 1108255768 /nfs/dbraw/zinc/25/57/68/1108255768.db2.gz KQHQBEXIIMCKHV-HXUWFJFHSA-N -1 3 342.439 2.883 10 30 EFEEHM CC(C)(C)n1cc(CN=Cc2cc(Cl)ccc2[O-])c(=O)[nH]c1=O ZINC000905001143 1108319297 /nfs/dbraw/zinc/31/92/97/1108319297.db2.gz FFDWWLJMPCMYPS-WSVATBPTSA-N -1 3 335.791 2.682 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001682163300 1108597493 /nfs/dbraw/zinc/59/74/93/1108597493.db2.gz DFKRIPLKOJLPEC-HLLBOEOZSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCCC[C@H](C(=O)NCCCc1c[n-][nH]c1=O)c1ccccc1 ZINC000898744482 1109069485 /nfs/dbraw/zinc/06/94/85/1109069485.db2.gz CRPNPNOBVRZTCM-IRXDYDNUSA-N -1 3 327.428 2.755 10 30 EFEEHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(C#N)cc1F ZINC000781126345 1111849792 /nfs/dbraw/zinc/84/97/92/1111849792.db2.gz DUODVHALWVHIKF-UHFFFAOYSA-N -1 3 345.399 2.583 10 30 EFEEHM CC1(C[N-]S(=O)(=O)c2cccc(Br)c2C#N)CCC1 ZINC000344204549 535156826 /nfs/dbraw/zinc/15/68/26/535156826.db2.gz ADIDSHJMXAVGJF-UHFFFAOYSA-N -1 3 343.246 2.789 10 30 EFEEHM C=C1CCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)CC1 ZINC000264098797 201208855 /nfs/dbraw/zinc/20/88/55/201208855.db2.gz MJVGCJRZZIPJRC-UHFFFAOYSA-N -1 3 338.411 2.664 10 30 EFEEHM C=CCOc1cccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c1 ZINC000263467342 240384163 /nfs/dbraw/zinc/38/41/63/240384163.db2.gz CYMFOSPHBRJPHU-ZIAGYGMSSA-N -1 3 329.318 2.946 10 30 EFEEHM C=CC[C@H](CO)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000296050972 241071669 /nfs/dbraw/zinc/07/16/69/241071669.db2.gz QKDPQDIBYRZAIT-SECBINFHSA-N -1 3 334.160 2.594 10 30 EFEEHM 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O=S(=O)(c1ccc(/N=C/c2ccc([O-])cc2)cc1)N1CCCC1 ZINC000100040675 472524672 /nfs/dbraw/zinc/52/46/72/472524672.db2.gz ZDVKLVQWIPJJJV-QGOAFFKASA-N -1 3 330.409 2.927 10 30 EFEEHM O=S(=O)(c1ccc(/N=C/c2ccccc2[O-])cc1)N1CCCC1 ZINC000100040717 472524773 /nfs/dbraw/zinc/52/47/73/472524773.db2.gz KZWQFIDEJZSWPD-QGOAFFKASA-N -1 3 330.409 2.927 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c(F)c1 ZINC000131625484 472683333 /nfs/dbraw/zinc/68/33/33/472683333.db2.gz CAZRFWRIYJLDBV-UHFFFAOYSA-N -1 3 342.754 2.968 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1Cl ZINC000134667994 472950177 /nfs/dbraw/zinc/95/01/77/472950177.db2.gz LJEIJOVAMCUDLM-UHFFFAOYSA-N -1 3 340.763 2.644 10 30 EFEEHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1nnc2n1CCCCC2 ZINC000107409856 472952943 /nfs/dbraw/zinc/95/29/43/472952943.db2.gz OOTYLRCWYBLYKV-AWEZNQCLSA-N -1 3 348.366 2.545 10 30 EFEEHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccccc1C#N ZINC000122448203 473015219 /nfs/dbraw/zinc/01/52/19/473015219.db2.gz 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2.637 10 30 EFEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)CC2 ZINC000273443249 474900656 /nfs/dbraw/zinc/90/06/56/474900656.db2.gz JSFPPUMRQVSOPR-MRXNPFEDSA-N -1 3 334.441 2.840 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCC(F)(F)F)no1 ZINC000273671705 475006172 /nfs/dbraw/zinc/00/61/72/475006172.db2.gz BXRBZBICSPWLJW-UHFFFAOYSA-N -1 3 340.305 2.939 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)C(F)(F)F ZINC000294182933 475063927 /nfs/dbraw/zinc/06/39/27/475063927.db2.gz DXSBBQPUKPFCBS-UHFFFAOYSA-N -1 3 329.322 2.665 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(c2ccccc2F)C1=O ZINC000294684284 475080524 /nfs/dbraw/zinc/08/05/24/475080524.db2.gz VCDRZRJVJYCMQX-GFCCVEGCSA-N -1 3 326.318 2.649 10 30 EFEEHM N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1ncccc1[O-] ZINC000343049877 475721675 /nfs/dbraw/zinc/72/16/75/475721675.db2.gz AWNLQGMZLBFMDM-UHFFFAOYSA-N -1 3 330.269 2.658 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C#N)cc3C)ccc2n1 ZINC000355305807 475813143 /nfs/dbraw/zinc/81/31/43/475813143.db2.gz IYBDNDAJSXHPHS-UHFFFAOYSA-N -1 3 326.381 2.624 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ccc2c(c1)OC(F)(F)O2 ZINC000349235015 475927931 /nfs/dbraw/zinc/92/79/31/475927931.db2.gz SCXZBOWTZIBPMC-UHFFFAOYSA-N -1 3 327.312 2.784 10 30 EFEEHM C=CCN1C(=O)c2ccc(C(=O)Nc3cc(F)ccc3[O-])cc2C1=O ZINC000340327143 475948157 /nfs/dbraw/zinc/94/81/57/475948157.db2.gz ARQHKWDUEIKHLT-UHFFFAOYSA-N -1 3 340.310 2.566 10 30 EFEEHM CC(C)Oc1ccc(NC(=O)NCc2ncccc2[O-])cc1C#N ZINC000346912223 475958986 /nfs/dbraw/zinc/95/89/86/475958986.db2.gz GSVXVCPWZRKMAV-UHFFFAOYSA-N -1 3 326.356 2.768 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1C#N ZINC000336867585 476150047 /nfs/dbraw/zinc/15/00/47/476150047.db2.gz RZARYYQFTZJRRN-UHFFFAOYSA-N -1 3 332.772 2.588 10 30 EFEEHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc([O-])c2)n1 ZINC000360734065 476357827 /nfs/dbraw/zinc/35/78/27/476357827.db2.gz SMDCMMYQOKUAGZ-UHFFFAOYSA-N -1 3 338.754 2.777 10 30 EFEEHM N#Cc1cnc(N[C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)cn1 ZINC000368920062 476379355 /nfs/dbraw/zinc/37/93/55/476379355.db2.gz GUEQSOXTZWFMOX-AWEZNQCLSA-N -1 3 343.818 2.784 10 30 EFEEHM Cc1cnc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)s1 ZINC000354081161 476411598 /nfs/dbraw/zinc/41/15/98/476411598.db2.gz ZDKBHYAUJQRCDZ-ZDUSSCGKSA-N -1 3 339.486 2.906 10 30 EFEEHM C=CCOc1ccc(CNC2(c3nn[n-]n3)CCCC2)cc1Cl ZINC000354213780 476509142 /nfs/dbraw/zinc/50/91/42/476509142.db2.gz RJWJIEIHNMSSQV-UHFFFAOYSA-N -1 3 333.823 2.977 10 30 EFEEHM N#Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1Br ZINC000352252805 476588874 /nfs/dbraw/zinc/58/88/74/476588874.db2.gz UGHACPQQLUTAOZ-UHFFFAOYSA-N -1 3 347.172 2.743 10 30 EFEEHM C=CCC1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCC1 ZINC000451871399 476692256 /nfs/dbraw/zinc/69/22/56/476692256.db2.gz RKAKPVOCUDUACY-UHFFFAOYSA-N -1 3 329.400 2.658 10 30 EFEEHM CCc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1[O-] ZINC000365865134 476739611 /nfs/dbraw/zinc/73/96/11/476739611.db2.gz GHZNDONOCUQWGW-UHFFFAOYSA-N -1 3 333.351 2.659 10 30 EFEEHM CC[C@@H](C[N-]S(=O)(=O)c1cnc(C)c(C#N)c1)CC(F)(F)F ZINC000402473156 476907260 /nfs/dbraw/zinc/90/72/60/476907260.db2.gz JPXBAXSMLZOHDL-SNVBAGLBSA-N -1 3 335.351 2.519 10 30 EFEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000408337931 476946948 /nfs/dbraw/zinc/94/69/48/476946948.db2.gz FMWGMJRVPPVKCR-GZMMTYOYSA-N -1 3 347.209 2.559 10 30 EFEEHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431171543 476991169 /nfs/dbraw/zinc/99/11/69/476991169.db2.gz SQYJHLBUBKZJGO-UHFFFAOYSA-N -1 3 326.299 2.971 10 30 EFEEHM CN(C)[C@H]1CCOc2c(NC(=O)c3ccc(C#N)c([O-])c3)cccc21 ZINC000447723749 477044152 /nfs/dbraw/zinc/04/41/52/477044152.db2.gz RCLRDPIFEXHBPZ-INIZCTEOSA-N -1 3 337.379 2.901 10 30 EFEEHM CCn1cnc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1 ZINC000431618744 477063268 /nfs/dbraw/zinc/06/32/68/477063268.db2.gz DLWLWOMTAUVHMR-HNNXBMFYSA-N -1 3 332.429 2.616 10 30 EFEEHM CCn1cnc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1 ZINC000431618745 477063545 /nfs/dbraw/zinc/06/35/45/477063545.db2.gz DLWLWOMTAUVHMR-OAHLLOKOSA-N -1 3 332.429 2.616 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)ccc1F ZINC000431619914 477063784 /nfs/dbraw/zinc/06/37/84/477063784.db2.gz HVGRTGOESBPWHJ-CQSZACIVSA-N -1 3 340.326 2.982 10 30 EFEEHM N#Cc1csc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])c1 ZINC000417584804 477457700 /nfs/dbraw/zinc/45/77/00/477457700.db2.gz YRWDKLDHDPDIHW-INIZCTEOSA-N -1 3 341.436 2.615 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000425178177 477660142 /nfs/dbraw/zinc/66/01/42/477660142.db2.gz JXPVPZLVDHJWDW-ONGXEEELSA-N -1 3 336.240 2.863 10 30 EFEEHM C=CCC1(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)CCOCC1 ZINC000425193308 477666253 /nfs/dbraw/zinc/66/62/53/477666253.db2.gz GTIPTUANDPGGGS-UHFFFAOYSA-N -1 3 330.363 2.922 10 30 EFEEHM C[C@H](C#N)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560039070 478015563 /nfs/dbraw/zinc/01/55/63/478015563.db2.gz PITDFKKOUFJQDL-SSDOTTSWSA-N -1 3 337.626 2.540 10 30 EFEEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561520123 478192359 /nfs/dbraw/zinc/19/23/59/478192359.db2.gz ZNJZWQBSWVMPMB-SNVBAGLBSA-N -1 3 345.262 2.891 10 30 EFEEHM CC[C@@](C)(C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000562535659 478264528 /nfs/dbraw/zinc/26/45/28/478264528.db2.gz TZXAVBOLSYVUMA-HNNXBMFYSA-N -1 3 348.200 2.713 10 30 EFEEHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000537611628 478318789 /nfs/dbraw/zinc/31/87/89/478318789.db2.gz SUXHNCQAIJXDLM-UHFFFAOYSA-N -1 3 337.626 2.683 10 30 EFEEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594478474 478402904 /nfs/dbraw/zinc/40/29/04/478402904.db2.gz IASMZQVORRVWJP-GFCCVEGCSA-N -1 3 344.864 2.941 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCCO1 ZINC000594485651 478405824 /nfs/dbraw/zinc/40/58/24/478405824.db2.gz BEFHGVRGXLRPBY-KGLIPLIRSA-N -1 3 342.848 2.838 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)CCCCC1 ZINC000594489613 478409231 /nfs/dbraw/zinc/40/92/31/478409231.db2.gz VTRDXDALEDJTBL-OAHLLOKOSA-N -1 3 340.489 2.872 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600668771 478459096 /nfs/dbraw/zinc/45/90/96/478459096.db2.gz VIPCYJMBCKFBNM-GDBMZVCRSA-N -1 3 342.436 2.761 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]C1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000600667737 478459829 /nfs/dbraw/zinc/45/98/29/478459829.db2.gz HGYGZIGCESPCPX-OAHLLOKOSA-N -1 3 340.420 2.659 10 30 EFEEHM N#Cc1ccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000594659663 478482986 /nfs/dbraw/zinc/48/29/86/478482986.db2.gz HDHVJIRQFJRAAS-GOSISDBHSA-N -1 3 330.391 2.783 10 30 EFEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594802556 478545869 /nfs/dbraw/zinc/54/58/69/478545869.db2.gz XJTVEHPRIGMRRB-ZDUSSCGKSA-N -1 3 342.848 2.695 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2C[C@H](c3ccccc3)CO2)CCCC1 ZINC000594853668 478561269 /nfs/dbraw/zinc/56/12/69/478561269.db2.gz VOHVNOPHPQTXQJ-IRXDYDNUSA-N -1 3 348.468 2.562 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CCCC1 ZINC000594868912 478567607 /nfs/dbraw/zinc/56/76/07/478567607.db2.gz XUJDXIDKIWPBQN-UHFFFAOYSA-N -1 3 341.429 2.850 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2noc3ccccc32)CCCCC1 ZINC000594883738 478571417 /nfs/dbraw/zinc/57/14/17/478571417.db2.gz FWHKIPHLAKLTGQ-UHFFFAOYSA-N -1 3 333.413 2.721 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]CC1(C#N)CCCCC1)C1CCCCC1 ZINC000594884277 478571488 /nfs/dbraw/zinc/57/14/88/478571488.db2.gz LUWIDYXVLQAZQW-MRXNPFEDSA-N -1 3 342.505 2.975 10 30 EFEEHM Cc1sc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1[N+](=O)[O-] ZINC000594883431 478571685 /nfs/dbraw/zinc/57/16/85/478571685.db2.gz ARWYDICOINIXPY-UHFFFAOYSA-N -1 3 343.430 2.717 10 30 EFEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(F)F ZINC000595350377 478742285 /nfs/dbraw/zinc/74/22/85/478742285.db2.gz BMZQKYNIKAMNHM-LLVKDONJSA-N -1 3 334.775 2.781 10 30 EFEEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(F)F ZINC000595351323 478742540 /nfs/dbraw/zinc/74/25/40/478742540.db2.gz RGAAGHNLHJPOCU-NSHDSACASA-N -1 3 334.775 2.781 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCC(F)CC1 ZINC000595359306 478746548 /nfs/dbraw/zinc/74/65/48/478746548.db2.gz LONYBYULGVHOQV-PKSQDBQZSA-N -1 3 328.384 2.892 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCC(F)CC1 ZINC000595360040 478747155 /nfs/dbraw/zinc/74/71/55/478747155.db2.gz WTKUYYMZDFJPCU-ZBOXLXRLSA-N -1 3 328.384 2.892 10 30 EFEEHM COc1cc(C#N)ccc1S(=O)(=O)[N-]CC(F)(F)C(C)(C)C ZINC000595383847 478757942 /nfs/dbraw/zinc/75/79/42/478757942.db2.gz PHCXPMHPYYDAEM-UHFFFAOYSA-N -1 3 332.372 2.527 10 30 EFEEHM C[C@@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000595406126 478764854 /nfs/dbraw/zinc/76/48/54/478764854.db2.gz IACWFXJCWBGITM-ZBFHGGJFSA-N -1 3 336.457 2.502 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1)CC(F)(F)F ZINC000595419391 478769067 /nfs/dbraw/zinc/76/90/67/478769067.db2.gz ZKGVLWYMPZZJLE-UHFFFAOYSA-N -1 3 338.326 2.954 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000528499438 478802674 /nfs/dbraw/zinc/80/26/74/478802674.db2.gz KSCDRSDOKFIYAL-KRWDZBQOSA-N -1 3 345.399 2.912 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCc2cccnc21 ZINC000601528060 478865332 /nfs/dbraw/zinc/86/53/32/478865332.db2.gz ZHZOQOBGZNJLJU-GFCCVEGCSA-N -1 3 347.827 2.615 10 30 EFEEHM COCC1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000598554670 478892652 /nfs/dbraw/zinc/89/26/52/478892652.db2.gz KVSHNUQMJKNJGB-UHFFFAOYSA-N -1 3 345.443 2.674 10 30 EFEEHM NCC(F)(F)CC(=O)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000565311466 478975668 /nfs/dbraw/zinc/97/56/68/478975668.db2.gz GCPAGDRUGMZXSG-JTQLQIEISA-N -1 3 332.219 2.669 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCC(F)CC1 ZINC000592721118 479012697 /nfs/dbraw/zinc/01/26/97/479012697.db2.gz IKUJFNXUXSLBNL-UHFFFAOYSA-N -1 3 333.407 2.853 10 30 EFEEHM Cc1nc(C)c(CCC(=O)NC(C)(C)c2cccc(C#N)c2)c(=O)[n-]1 ZINC000598764755 479014239 /nfs/dbraw/zinc/01/42/39/479014239.db2.gz VAWIJIDIHDZZBG-UHFFFAOYSA-N -1 3 338.411 2.655 10 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/nfs/dbraw/zinc/14/26/61/479142661.db2.gz IDORFVRJBWISMM-HNNXBMFYSA-N -1 3 348.353 2.574 10 30 EFEEHM N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000610926345 479234322 /nfs/dbraw/zinc/23/43/22/479234322.db2.gz QDLZMMSPLFDDNR-SFHVURJKSA-N -1 3 339.370 2.554 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccncc1 ZINC000611025326 479265544 /nfs/dbraw/zinc/26/55/44/479265544.db2.gz ITPQNKXIGUNRGZ-NSHDSACASA-N -1 3 335.816 2.689 10 30 EFEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]CC(F)(F)C(F)F)cc1 ZINC000593279954 479274302 /nfs/dbraw/zinc/27/43/02/479274302.db2.gz NKHVLFNLLPJENV-UHFFFAOYSA-N -1 3 338.326 2.666 10 30 EFEEHM CCC([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)(C1CC1)C1CC1 ZINC000599396126 479283624 /nfs/dbraw/zinc/28/36/24/479283624.db2.gz RKCCZXNCIMYKEB-UHFFFAOYSA-N -1 3 349.412 2.714 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(F)c1 ZINC000611117334 479285955 /nfs/dbraw/zinc/28/59/55/479285955.db2.gz IROZQKCMNOIVAJ-UHFFFAOYSA-N -1 3 342.754 2.968 10 30 EFEEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000599433564 479296215 /nfs/dbraw/zinc/29/62/15/479296215.db2.gz HKHPUOPMLQDWPU-UHFFFAOYSA-N -1 3 342.289 2.901 10 30 EFEEHM CC[C@](C)(C#N)C(=O)Nc1cc(I)ccc1[O-] ZINC000586801952 479357073 /nfs/dbraw/zinc/35/70/73/479357073.db2.gz INBKODQRWOSBAE-GFCCVEGCSA-N -1 3 344.152 2.875 10 30 EFEEHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccsc2C#N)n1 ZINC000593542099 479383561 /nfs/dbraw/zinc/38/35/61/479383561.db2.gz VKNSGYWWWJHQRY-UHFFFAOYSA-N -1 3 341.483 2.686 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCN(c2ccccc2)C1 ZINC000593547580 479384570 /nfs/dbraw/zinc/38/45/70/479384570.db2.gz WWPVVOWIPNBZCK-ZDUSSCGKSA-N -1 3 347.465 2.567 10 30 EFEEHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593558698 479387101 /nfs/dbraw/zinc/38/71/01/479387101.db2.gz ZDZHKDHURGEVRP-GFCCVEGCSA-N -1 3 336.438 2.674 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccco1 ZINC000593559631 479387452 /nfs/dbraw/zinc/38/74/52/479387452.db2.gz XYIPUZOEOFHOMR-OAHLLOKOSA-N -1 3 348.424 2.747 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000593577124 479392612 /nfs/dbraw/zinc/39/26/12/479392612.db2.gz AHSPRSGVNHYETI-ZIAGYGMSSA-N -1 3 348.449 2.818 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000593577123 479392874 /nfs/dbraw/zinc/39/28/74/479392874.db2.gz AHSPRSGVNHYETI-UONOGXRCSA-N -1 3 348.449 2.818 10 30 EFEEHM CC[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(F)(F)F ZINC000593609336 479400971 /nfs/dbraw/zinc/40/09/71/479400971.db2.gz VZKCPEKKZGWNGC-MRVPVSSYSA-N -1 3 326.365 2.877 10 30 EFEEHM Cc1ccccc1C1([N-]S(=O)(=O)c2cccnc2C#N)CCC1 ZINC000593616679 479403492 /nfs/dbraw/zinc/40/34/92/479403492.db2.gz FABPVCYAQSMDPN-UHFFFAOYSA-N -1 3 327.409 2.619 10 30 EFEEHM Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1[N+](=O)[O-] ZINC000593624792 479407245 /nfs/dbraw/zinc/40/72/45/479407245.db2.gz XJWXIMVDGGYSRL-UHFFFAOYSA-N -1 3 337.401 2.574 10 30 EFEEHM COc1ccc(-c2nsc([N-]C(=O)c3cc(C#N)ccn3)n2)cc1 ZINC000588345884 479417946 /nfs/dbraw/zinc/41/79/46/479417946.db2.gz PJPFUBGOZUBKLR-UHFFFAOYSA-N -1 3 337.364 2.733 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000577444037 479592392 /nfs/dbraw/zinc/59/23/92/479592392.db2.gz GOFDQAGHQSEQJV-CQSZACIVSA-N -1 3 342.848 2.641 10 30 EFEEHM N#CCc1ccc(CS(=O)(=O)[N-]c2ccc3c(n2)CCC3)cc1 ZINC000577751752 479596880 /nfs/dbraw/zinc/59/68/80/479596880.db2.gz SKLXILABHOPJPI-UHFFFAOYSA-N -1 3 327.409 2.578 10 30 EFEEHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCCO1 ZINC000594183642 479621929 /nfs/dbraw/zinc/62/19/29/479621929.db2.gz ORBHKCNPDCMYJI-IRXDYDNUSA-N -1 3 345.443 2.672 10 30 EFEEHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618891938 479625333 /nfs/dbraw/zinc/62/53/33/479625333.db2.gz GGJAEFCGSVYRJM-QGZVFWFLSA-N -1 3 329.359 2.817 10 30 EFEEHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000612534781 479688278 /nfs/dbraw/zinc/68/82/78/479688278.db2.gz KSOXPHDKLVJSKV-GOSISDBHSA-N -1 3 341.455 2.577 10 30 EFEEHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180510 479802723 /nfs/dbraw/zinc/80/27/23/479802723.db2.gz OWYIACRUMODWAP-IAQYHMDHSA-N -1 3 331.384 2.533 10 30 EFEEHM C=C(C)C[C@H]1NC(=O)N(Cc2ccc([O-])c(Br)c2)C1=O ZINC000630979134 479817750 /nfs/dbraw/zinc/81/77/50/479817750.db2.gz PRDCQYSPQIVKEU-LLVKDONJSA-N -1 3 339.189 2.541 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccccc1 ZINC000617472008 480231413 /nfs/dbraw/zinc/23/14/13/480231413.db2.gz HNPGVHLRLVMIAO-OAHLLOKOSA-N -1 3 327.409 2.773 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CC1CC1)c1ccccc1 ZINC000617472007 480232310 /nfs/dbraw/zinc/23/23/10/480232310.db2.gz HNPGVHLRLVMIAO-HNNXBMFYSA-N -1 3 327.409 2.773 10 30 EFEEHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610085273 480235110 /nfs/dbraw/zinc/23/51/10/480235110.db2.gz FEFIJMFNSUTACI-GFCCVEGCSA-N -1 3 348.399 2.615 10 30 EFEEHM C=C(C)Cn1c(C(C)C)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634373309 480279174 /nfs/dbraw/zinc/27/91/74/480279174.db2.gz WWJIQGQIVVBTLZ-UHFFFAOYSA-N -1 3 343.479 2.606 10 30 EFEEHM O=C(COCC(F)F)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000626405830 480346744 /nfs/dbraw/zinc/34/67/44/480346744.db2.gz JSXMOMOMHPRTHD-LLVKDONJSA-N -1 3 333.203 2.966 10 30 EFEEHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCCC1)C(=O)c1ccccc1 ZINC000632353788 480532271 /nfs/dbraw/zinc/53/22/71/480532271.db2.gz QRZSRHXONFYPIS-UHFFFAOYSA-N -1 3 334.441 2.651 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000640317820 481914841 /nfs/dbraw/zinc/91/48/41/481914841.db2.gz LWFNSVAGYMDEGS-ZYHUDNBSSA-N -1 3 341.253 2.861 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 ZINC000078004526 522902108 /nfs/dbraw/zinc/90/21/08/522902108.db2.gz UJLAQCNDIWDRGR-GFCCVEGCSA-N -1 3 325.390 2.583 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)[n-]1 ZINC000179702647 524985872 /nfs/dbraw/zinc/98/58/72/524985872.db2.gz PDQJAINTOJIBCU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n[n-]1 ZINC000179702647 524985880 /nfs/dbraw/zinc/98/58/80/524985880.db2.gz PDQJAINTOJIBCU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(OCc3ccccc3C#N)c2)n1 ZINC000179702647 524985892 /nfs/dbraw/zinc/98/58/92/524985892.db2.gz PDQJAINTOJIBCU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM Fc1ccc(COc2ccc(C=NNc3n[n-]c(=S)[nH]3)o2)cc1 ZINC000020291569 526342404 /nfs/dbraw/zinc/34/24/04/526342404.db2.gz FAWDZHVYFSZLJH-FRKPEAEDSA-N -1 3 333.348 2.851 10 30 EFEEHM Fc1ccc(COc2ccc(C=NNc3n[nH]c(=S)[n-]3)o2)cc1 ZINC000020291569 526342410 /nfs/dbraw/zinc/34/24/10/526342410.db2.gz FAWDZHVYFSZLJH-FRKPEAEDSA-N -1 3 333.348 2.851 10 30 EFEEHM N#CC1(NC(=O)CSc2n[n-]c(-c3cccs3)n2)CCCCC1 ZINC000005017606 526437416 /nfs/dbraw/zinc/43/74/16/526437416.db2.gz JRJIOILIUVHETJ-UHFFFAOYSA-N -1 3 347.469 2.968 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000657037000 547011834 /nfs/dbraw/zinc/01/18/34/547011834.db2.gz SAORPWUPWJUOAF-NEPJUHHUSA-N -1 3 343.474 2.515 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000657149474 547045448 /nfs/dbraw/zinc/04/54/48/547045448.db2.gz MFNIPFQUBLUPFF-UHFFFAOYSA-N -1 3 329.365 2.638 10 30 EFEEHM C=C(C)[C@H](CO)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000677130390 548625179 /nfs/dbraw/zinc/62/51/79/548625179.db2.gz DZJTYTNJAVGMOQ-ZDUSSCGKSA-N -1 3 328.397 2.550 10 30 EFEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000679474116 549132839 /nfs/dbraw/zinc/13/28/39/549132839.db2.gz FUTPOKJNZQTUCY-UHFFFAOYSA-N -1 3 344.483 2.661 10 30 EFEEHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC2CCC(C#N)CC2)cc1 ZINC000755975106 575665203 /nfs/dbraw/zinc/66/52/03/575665203.db2.gz DJTGCJQFYBDHBW-UHFFFAOYSA-N -1 3 336.413 2.545 10 30 EFEEHM COc1ccccc1N1CC[C@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000756776215 575785870 /nfs/dbraw/zinc/78/58/70/575785870.db2.gz UALSWGKQAHYSQQ-GJUHEBOISA-N -1 3 328.368 2.510 10 30 EFEEHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000756979898 575807496 /nfs/dbraw/zinc/80/74/96/575807496.db2.gz FLSHQRZOYJQPNQ-GFCCVEGCSA-N -1 3 336.394 2.699 10 30 EFEEHM [O-]c1c(O)ccc(/C=N\[C@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000757528208 575841557 /nfs/dbraw/zinc/84/15/57/575841557.db2.gz VUKFIFDDLHFZTL-VDZJHUJMSA-N -1 3 333.775 2.550 10 30 EFEEHM [O-]c1c(O)ccc(/C=N\[C@@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000757528203 575841559 /nfs/dbraw/zinc/84/15/59/575841559.db2.gz VUKFIFDDLHFZTL-DLGFXHSSSA-N -1 3 333.775 2.550 10 30 EFEEHM COc1ccc(CC/N=C/c2c([O-])c(C)ncc2CO)c(Cl)c1 ZINC000760212940 575991357 /nfs/dbraw/zinc/99/13/57/575991357.db2.gz VMTABXLGCPFKNX-DJKKODMXSA-N -1 3 334.803 2.912 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000765415074 577039845 /nfs/dbraw/zinc/03/98/45/577039845.db2.gz BCEYDFMRWWTQCD-RDRICISKSA-N -1 3 337.441 2.865 10 30 EFEEHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(COC)c2)cc1 ZINC000765586521 577056942 /nfs/dbraw/zinc/05/69/42/577056942.db2.gz HXPMJXFZZRUTMB-KRWDZBQOSA-N -1 3 337.379 2.752 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000766046699 577101345 /nfs/dbraw/zinc/10/13/45/577101345.db2.gz AHVKZDYLSSOLKZ-GWJCSSMESA-N -1 3 343.246 2.887 10 30 EFEEHM COc1cccc([O-])c1/C=N/[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000766284411 577130964 /nfs/dbraw/zinc/13/09/64/577130964.db2.gz RQMLSGWZAYHJSU-HIPSJFSSSA-N -1 3 328.416 2.531 10 30 EFEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@H]2CCCOC2)c1 ZINC000766616995 577171526 /nfs/dbraw/zinc/17/15/26/577171526.db2.gz MSSDBLKSAOZZAL-IRXDYDNUSA-N -1 3 349.390 2.937 10 30 EFEEHM COc1cccc([O-])c1/C=N/C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000726888902 577405020 /nfs/dbraw/zinc/40/50/20/577405020.db2.gz CNTPWJWYCZXISA-KEBDBYFISA-N -1 3 344.333 2.763 10 30 EFEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000770394305 577415230 /nfs/dbraw/zinc/41/52/30/577415230.db2.gz ZWRMHFXUPSHTOT-JTQLQIEISA-N -1 3 330.793 2.637 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000773873502 581471428 /nfs/dbraw/zinc/47/14/28/581471428.db2.gz ZKNDFUKWTAADLS-STQMWFEESA-N -1 3 343.420 2.781 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)c1 ZINC000773974302 581476122 /nfs/dbraw/zinc/47/61/22/581476122.db2.gz HKMDYEUFWTVZLH-KBOKABMXSA-N -1 3 335.363 2.759 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)cc1 ZINC000773979327 581476535 /nfs/dbraw/zinc/47/65/35/581476535.db2.gz ZTHQYPGUUUBZOB-VTGFLYEISA-N -1 3 335.363 2.759 10 30 EFEEHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccnn1CC ZINC000773981524 581476677 /nfs/dbraw/zinc/47/66/77/581476677.db2.gz ZRQHFYSAWJPRNN-OAHLLOKOSA-N -1 3 338.411 2.989 10 30 EFEEHM Cc1cc(Cl)cc(C=NNc2ccc(-n3cccn3)nn2)c1[O-] ZINC000774589856 581494858 /nfs/dbraw/zinc/49/48/58/581494858.db2.gz NWXTWJJVGGDPIO-UHFFFAOYSA-N -1 3 328.763 2.776 10 30 EFEEHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)cnn1-c1ccccn1 ZINC001649070179 1258159821 /nfs/dbraw/zinc/15/98/21/1258159821.db2.gz UVBPUDJBIJKFNE-UHFFFAOYSA-N -1 3 326.331 2.746 10 30 EFEEHM O=C(Cc1cc(F)cc2c1OCOC2)N([O-])Cc1ccc(F)cc1 ZINC001649069952 1258160390 /nfs/dbraw/zinc/16/03/90/1258160390.db2.gz NLSRDGLMPZVCHX-UHFFFAOYSA-N -1 3 335.306 2.792 10 30 EFEEHM CCCCCCN([O-])C(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC001161827008 1266228665 /nfs/dbraw/zinc/22/86/65/1266228665.db2.gz SKDVJDLJRVJYBQ-UHFFFAOYSA-N -1 3 332.441 2.668 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001487266055 1261551632 /nfs/dbraw/zinc/55/16/32/1261551632.db2.gz RJFSNBNWMJSIKH-HNNXBMFYSA-N -1 3 330.428 2.571 10 30 EFEEHM C[C@]1([N-]S(=O)(=O)c2ccsc2C#N)CCOc2ccccc21 ZINC000922095887 1264358373 /nfs/dbraw/zinc/35/83/73/1264358373.db2.gz RLBREEUTWSWHOY-HNNXBMFYSA-N -1 3 334.422 2.596 10 30 EFEEHM [O-]c1ccc(Br)cc1/C=N/Cc1ncc2c(n1)CCOC2 ZINC000844269845 1278843272 /nfs/dbraw/zinc/84/32/72/1278843272.db2.gz DTZCVCYOBWSARV-UBKPWBPPSA-N -1 3 348.200 2.637 10 30 EFEEHM Cc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)c(Sc2ccccc2)c1 ZINC000820174873 1277059892 /nfs/dbraw/zinc/05/98/92/1277059892.db2.gz NWXAOHWDVRLSLS-OAHLLOKOSA-N -1 3 342.420 2.866 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000820185340 1277065520 /nfs/dbraw/zinc/06/55/20/1277065520.db2.gz NJANFKPFFCVXPJ-AWEZNQCLSA-N -1 3 336.819 2.549 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487148332 1277298122 /nfs/dbraw/zinc/29/81/22/1277298122.db2.gz LKDMZOHAPAQODV-KGLIPLIRSA-N -1 3 330.428 2.571 10 30 EFEEHM C#C[C@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790326636 1277428391 /nfs/dbraw/zinc/42/83/91/1277428391.db2.gz CLNMGMWHPYMFQE-MRVPVSSYSA-N -1 3 336.638 2.793 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)C[C@]1(F)Cl ZINC000845980867 1279956234 /nfs/dbraw/zinc/95/62/34/1279956234.db2.gz MHKYBQGAISGTME-QWHCGFSZSA-N -1 3 334.775 2.680 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000846550012 1280244145 /nfs/dbraw/zinc/24/41/45/1280244145.db2.gz QHPZFKOAYRTCHN-HOCLYGCPSA-N -1 3 332.400 2.658 10 30 EFEEHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000846539263 1280252770 /nfs/dbraw/zinc/25/27/70/1280252770.db2.gz ZHIQQFSLJANVIA-GFCCVEGCSA-N -1 3 343.349 2.941 10 30 EFEEHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000846539266 1280253501 /nfs/dbraw/zinc/25/35/01/1280253501.db2.gz ZHIQQFSLJANVIA-LBPRGKRZSA-N -1 3 343.349 2.941 10 30 EFEEHM Cc1ncc(CO)c(/C=N\C[C@H]2CC[C@H](c3ccccc3)O2)c1[O-] ZINC000809144184 1282063018 /nfs/dbraw/zinc/06/30/18/1282063018.db2.gz GUPUHJMFBCDJBT-BONLRUSDSA-N -1 3 326.396 2.927 10 30 EFEEHM C#C[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC000812791857 1285438765 /nfs/dbraw/zinc/43/87/65/1285438765.db2.gz AQWPVKGAOVHCQK-CQSZACIVSA-N -1 3 330.315 2.912 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C/Br ZINC000813928723 1286195656 /nfs/dbraw/zinc/19/56/56/1286195656.db2.gz LSDBKOXNUABVCY-ZZXKWVIFSA-N -1 3 339.189 2.660 10 30 EFEEHM CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@H]3CCN([O-])C3=O)cc2C1 ZINC000816693308 1288247228 /nfs/dbraw/zinc/24/72/28/1288247228.db2.gz IFQUCZQGEJZNBI-NEPJUHHUSA-N -1 3 336.457 2.619 10 30 EFEEHM Cc1sc(C(=O)N[C@H]2CCN([O-])C2=O)cc1-c1ccc(F)cc1 ZINC000816694807 1288248423 /nfs/dbraw/zinc/24/84/23/1288248423.db2.gz OERFZEVZXSTCSC-ZDUSSCGKSA-N -1 3 334.372 2.583 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000824033513 1289516554 /nfs/dbraw/zinc/51/65/54/1289516554.db2.gz NQXFJVBZOVTOJL-LBPRGKRZSA-N -1 3 331.368 2.665 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824484372 1289664444 /nfs/dbraw/zinc/66/44/44/1289664444.db2.gz DYGZINVFDDUOKJ-SSDOTTSWSA-N -1 3 327.797 2.825 10 30 EFEEHM N#Cc1ccccc1CSCCNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC001184695878 1290494701 /nfs/dbraw/zinc/49/47/01/1290494701.db2.gz USXUHBYOPAVBNJ-UHFFFAOYSA-N -1 3 330.369 2.912 10 30 EFEEHM C=C(C)[C@@H](CO)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001189788858 1291861650 /nfs/dbraw/zinc/86/16/50/1291861650.db2.gz PVNANMJCVIMUJT-CQSZACIVSA-N -1 3 342.424 2.609 10 30 EFEEHM 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ZINC001307218970 1323027900 /nfs/dbraw/zinc/02/79/00/1323027900.db2.gz FZRZUFIHSNRKRH-ZCFIWIBFSA-N -1 3 326.238 2.776 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001296867239 1323039352 /nfs/dbraw/zinc/03/93/52/1323039352.db2.gz CHKREYVXKQFCNK-OAHLLOKOSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001309806998 1324887846 /nfs/dbraw/zinc/88/78/46/1324887846.db2.gz HZJMMMYKUNSDEI-INIZCTEOSA-N -1 3 339.457 2.621 10 30 EFEEHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)N1CC#N ZINC001333717608 1331201183 /nfs/dbraw/zinc/20/11/83/1331201183.db2.gz AGQNFESEAWLZHO-TXEJJXNPSA-N -1 3 338.249 2.573 10 30 EFEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C1CCOCC1 ZINC001334783109 1331305812 /nfs/dbraw/zinc/30/58/12/1331305812.db2.gz RMOBNUDEHIAYFF-CQSZACIVSA-N -1 3 327.758 2.976 10 30 EFEEHM CC(=O)c1ncc(C(=O)[N-]c2nc3c(cc2C#N)C[C@H](C)CC3)s1 ZINC001337758373 1331597225 /nfs/dbraw/zinc/59/72/25/1331597225.db2.gz KKPPCSQYOWXMON-SECBINFHSA-N -1 3 340.408 2.989 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338387511 1331702125 /nfs/dbraw/zinc/70/21/25/1331702125.db2.gz VVLOTPMWNKBZMY-KGLIPLIRSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001339705931 1331937353 /nfs/dbraw/zinc/93/73/53/1331937353.db2.gz XTPQTKVYOFCJIP-HUUCEWRRSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001339705929 1331937492 /nfs/dbraw/zinc/93/74/92/1331937492.db2.gz XTPQTKVYOFCJIP-CABCVRRESA-N -1 3 330.428 2.858 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339741825 1331948007 /nfs/dbraw/zinc/94/80/07/1331948007.db2.gz FZXQSPFJKJQAKM-HOTGVXAUSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001341755141 1332282311 /nfs/dbraw/zinc/28/23/11/1332282311.db2.gz CGVPAYSRKZMUFB-MNOVXSKESA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C)[C@@H](C)C1 ZINC001341755141 1332282313 /nfs/dbraw/zinc/28/23/13/1332282313.db2.gz CGVPAYSRKZMUFB-MNOVXSKESA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001341755145 1332282529 /nfs/dbraw/zinc/28/25/29/1332282529.db2.gz CGVPAYSRKZMUFB-WDEREUQCSA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C)[C@H](C)C1 ZINC001341755145 1332282534 /nfs/dbraw/zinc/28/25/34/1332282534.db2.gz CGVPAYSRKZMUFB-WDEREUQCSA-N -1 3 335.843 2.775 10 30 EFEEHM CC(C)C#CC(=O)N(C)CCCCCCNC(=O)c1ccccc1[O-] ZINC001344691716 1332474876 /nfs/dbraw/zinc/47/48/76/1332474876.db2.gz GXQKCXZGZWZDFD-UHFFFAOYSA-N -1 3 344.455 2.800 10 30 EFEEHM Cn1cnc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC001345207687 1332522122 /nfs/dbraw/zinc/52/21/22/1332522122.db2.gz NIBHYHHUTCSSIP-PSKZRQQASA-N -1 3 339.420 2.965 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001345681930 1332560756 /nfs/dbraw/zinc/56/07/56/1332560756.db2.gz ZHKLTFKMPDZACG-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC001346949602 1332706482 /nfs/dbraw/zinc/70/64/82/1332706482.db2.gz ZVQXCCUZJFPYLB-GFCCVEGCSA-N -1 3 336.363 2.777 10 30 EFEEHM N#Cc1c(F)cc(C[N-]C(=O)C(F)(F)C2CCOCC2)cc1F ZINC000848033710 1334184428 /nfs/dbraw/zinc/18/44/28/1334184428.db2.gz GXNCZWZRQITNEU-UHFFFAOYSA-N -1 3 330.281 2.515 10 30 EFEEHM O=C(N[C@H]1CCCN([O-])C1=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000848132356 1334345682 /nfs/dbraw/zinc/34/56/82/1334345682.db2.gz KFDYOJNUXSAEMO-INIZCTEOSA-N -1 3 348.418 2.815 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000848474297 1334733440 /nfs/dbraw/zinc/73/34/40/1334733440.db2.gz AKZXHEUQTIRMEB-UHFFFAOYSA-N -1 3 347.383 2.776 10 30 EFEEHM COc1cc(C(=O)/C=C\c2cc3n(n2)CCCC3)c(OC)cc1[O-] ZINC000848640096 1334821085 /nfs/dbraw/zinc/82/10/85/1334821085.db2.gz HNLSJCBIMQLHSD-SREVYHEPSA-N -1 3 328.368 2.838 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC(C)(C)C1 ZINC001355978515 1334922829 /nfs/dbraw/zinc/92/28/29/1334922829.db2.gz XHWRUDVTJLEFKS-UHFFFAOYSA-N -1 3 335.843 2.919 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC(C)(C)C1 ZINC001355978515 1334922832 /nfs/dbraw/zinc/92/28/32/1334922832.db2.gz XHWRUDVTJLEFKS-UHFFFAOYSA-N -1 3 335.843 2.919 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001355977183 1334923237 /nfs/dbraw/zinc/92/32/37/1334923237.db2.gz PWCBAWSXAWNLBE-MNOVXSKESA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001355977183 1334923240 /nfs/dbraw/zinc/92/32/40/1334923240.db2.gz PWCBAWSXAWNLBE-MNOVXSKESA-N -1 3 335.843 2.918 10 30 EFEEHM C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001358710767 1335451240 /nfs/dbraw/zinc/45/12/40/1335451240.db2.gz CTOIFJGAZWPWJA-IYBDPMFKSA-N -1 3 342.439 2.954 10 30 EFEEHM Cc1ccc([O-])c(NC(=O)c2cccc(C#N)c2Br)n1 ZINC001362775725 1336737048 /nfs/dbraw/zinc/73/70/48/1336737048.db2.gz QYVAQJCWMPHVSJ-UHFFFAOYSA-N -1 3 332.157 2.982 10 30 EFEEHM N#Cc1sccc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001363670796 1336985494 /nfs/dbraw/zinc/98/54/94/1336985494.db2.gz SIXSLOYRGQDAJW-XYPYZODXSA-N -1 3 328.397 2.572 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001380408625 1347652235 /nfs/dbraw/zinc/65/22/35/1347652235.db2.gz ZYYBGNOLOWSUEW-GHMZBOCLSA-N -1 3 338.835 2.794 10 30 EFEEHM CC[C@H](CNC(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001391673071 1355422492 /nfs/dbraw/zinc/42/24/92/1355422492.db2.gz NOBRNYWDAPMUGL-MRXNPFEDSA-N -1 3 341.386 2.701 10 30 EFEEHM CCOC(=O)c1ccc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)o1 ZINC001417659896 1373132651 /nfs/dbraw/zinc/13/26/51/1373132651.db2.gz BZCKCFZDHOYZNH-UHFFFAOYSA-N -1 3 348.305 2.736 10 30 EFEEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1cc(F)ccc1C#N ZINC001419951467 1376179969 /nfs/dbraw/zinc/17/99/69/1376179969.db2.gz UEAJLBJYPWQKAX-UHFFFAOYSA-N -1 3 341.386 2.607 10 30 EFEEHM CCN(CCNC(=O)c1ccccc1[O-])Cc1cc(F)ccc1C#N ZINC001420374474 1376832042 /nfs/dbraw/zinc/83/20/42/1376832042.db2.gz SKMLIULXOHARAO-UHFFFAOYSA-N -1 3 341.386 2.655 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)[n-]n1 ZINC001434386895 1387137088 /nfs/dbraw/zinc/13/70/88/1387137088.db2.gz NWSXXYVVVGMHTE-UHFFFAOYSA-N -1 3 338.367 2.517 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)n[n-]1 ZINC001434386895 1387137093 /nfs/dbraw/zinc/13/70/93/1387137093.db2.gz NWSXXYVVVGMHTE-UHFFFAOYSA-N -1 3 338.367 2.517 10 30 EFEEHM C=CCCn1cc(C(=O)Nc2ccc(Br)cc2[O-])nn1 ZINC001441342010 1391260659 /nfs/dbraw/zinc/26/06/59/1391260659.db2.gz NNPNUCRGCIGHIE-UHFFFAOYSA-N -1 3 337.177 2.575 10 30 EFEEHM C[C@H](CN(C)C(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001441491870 1391332804 /nfs/dbraw/zinc/33/28/04/1391332804.db2.gz LYQOHUCXHTXNDF-CYBMUJFWSA-N -1 3 341.386 2.653 10 30 EFEEHM CCCCN([O-])C(=O)c1cn(-c2ccccc2Br)nn1 ZINC001458023272 1395397640 /nfs/dbraw/zinc/39/76/40/1395397640.db2.gz MPOUSMRHOJFYGD-UHFFFAOYSA-N -1 3 339.193 2.661 10 30 EFEEHM C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001458642499 1395535112 /nfs/dbraw/zinc/53/51/12/1395535112.db2.gz RWMGVUYJKSATOU-SCSAIBSYSA-N -1 3 332.267 2.838 10 30 EFEEHM O=C(NCC#Cc1ccccc1)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC001463880709 1396528395 /nfs/dbraw/zinc/52/83/95/1396528395.db2.gz PRANINAPNXXQLM-UHFFFAOYSA-N -1 3 338.313 2.588 10 30 EFEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)C1CCC(C)CC1)C(=O)OCC ZINC001464252208 1396560379 /nfs/dbraw/zinc/56/03/79/1396560379.db2.gz ACYMYKRYZDKWKT-KGPNIALWSA-N -1 3 337.869 2.559 10 30 EFEEHM C=CCCC[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OC ZINC001471893636 1397219870 /nfs/dbraw/zinc/21/98/70/1397219870.db2.gz MUZIJMXVUKLGFX-ZDUSSCGKSA-N -1 3 329.318 2.932 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ccc(-c2ccccn2)nc1 ZINC001473004775 1397277385 /nfs/dbraw/zinc/27/73/85/1397277385.db2.gz HBHCXLTYFGFSOI-UHFFFAOYSA-N -1 3 325.397 2.919 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OC ZINC001475688865 1397448630 /nfs/dbraw/zinc/44/86/30/1397448630.db2.gz OTLWJLXDZIIUGH-AWEZNQCLSA-N -1 3 331.478 2.774 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001495198124 1399730242 /nfs/dbraw/zinc/73/02/42/1399730242.db2.gz JTRZMGLMQWIBFW-AWEZNQCLSA-N -1 3 330.428 2.573 10 30 EFEEHM CCN(C(=O)C#CC(C)(C)C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001498816344 1402309699 /nfs/dbraw/zinc/30/96/99/1402309699.db2.gz GWFQBUOQAAJYAK-HNNXBMFYSA-N -1 3 342.439 2.505 10 30 EFEEHM C=CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001499434220 1402612400 /nfs/dbraw/zinc/61/24/00/1402612400.db2.gz FVVRVUYQNXVVBB-UHFFFAOYSA-N -1 3 330.428 2.907 10 30 EFEEHM C=CCCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001505457829 1404671187 /nfs/dbraw/zinc/67/11/87/1404671187.db2.gz OHCXTMUCQUJWME-GOEBONIOSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001506611472 1406042258 /nfs/dbraw/zinc/04/22/58/1406042258.db2.gz RYMNQACJBCGDEG-YWZLYKJASA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001508758320 1407649740 /nfs/dbraw/zinc/64/97/40/1407649740.db2.gz OLXSNDNPUQBBLP-NSHDSACASA-N -1 3 338.835 2.748 10 30 EFEEHM C#CCCCCCC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001509812965 1408130604 /nfs/dbraw/zinc/13/06/04/1408130604.db2.gz NAFUAINQPUPCCP-WKILWMFISA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001510459372 1412698321 /nfs/dbraw/zinc/69/83/21/1412698321.db2.gz PDOCBEPOCFRYTB-CQSZACIVSA-N -1 3 330.428 2.737 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N(CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001512383387 1413412747 /nfs/dbraw/zinc/41/27/47/1413412747.db2.gz UTPSTKKARCIPEQ-CABCVRRESA-N -1 3 332.444 2.961 10 30 EFEEHM C=CCNc1ncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)s1 ZINC001557149452 1415108755 /nfs/dbraw/zinc/10/87/55/1415108755.db2.gz FVDFMDYMJMNVTL-UHFFFAOYSA-N -1 3 349.416 2.672 10 30 EFEEHM C=CCNc1ncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)s1 ZINC001557149452 1415108762 /nfs/dbraw/zinc/10/87/62/1415108762.db2.gz FVDFMDYMJMNVTL-UHFFFAOYSA-N -1 3 349.416 2.672 10 30 EFEEHM CSc1nc([O-])c(C(=O)Nc2nccc3cc[nH]c32)cc1C#N ZINC001557533491 1415130106 /nfs/dbraw/zinc/13/01/06/1415130106.db2.gz WPRMBEAEWAKOAP-UHFFFAOYSA-N -1 3 325.353 2.509 10 30 EFEEHM C=CCCOCCCCC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001558573596 1415191001 /nfs/dbraw/zinc/19/10/01/1415191001.db2.gz OQPNKFKGUFVJGA-JTQLQIEISA-N -1 3 334.342 2.764 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C ZINC001559035502 1415219539 /nfs/dbraw/zinc/21/95/39/1415219539.db2.gz UBSHHSNGNCYPGO-CYBMUJFWSA-N -1 3 332.441 2.714 10 30 EFEEHM O=C(c1cccc(-n2cc[nH]c2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC001559037038 1415219632 /nfs/dbraw/zinc/21/96/32/1415219632.db2.gz GRWNZPSAEDZPOX-UHFFFAOYSA-N -1 3 327.315 2.749 10 30 EFEEHM N#CCCN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccccn1 ZINC001559572214 1415250437 /nfs/dbraw/zinc/25/04/37/1415250437.db2.gz QIXOKGFNIOEDAB-UHFFFAOYSA-N -1 3 335.367 2.753 10 30 EFEEHM C=CCOc1cccc([N-]S(=O)(=O)Cc2cc(OC)ns2)c1 ZINC001561414505 1415315326 /nfs/dbraw/zinc/31/53/26/1415315326.db2.gz XUNSETLNGVYYCP-UHFFFAOYSA-N -1 3 340.426 2.658 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC001561688841 1415322096 /nfs/dbraw/zinc/32/20/96/1415322096.db2.gz VZLPGQQZCRAWED-GFCCVEGCSA-N -1 3 325.311 2.757 10 30 EFEEHM C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC001567485374 1416156960 /nfs/dbraw/zinc/15/69/60/1416156960.db2.gz HAAUGEGOTKCWFU-LBPRGKRZSA-N -1 3 335.404 2.975 10 30 EFEEHM Cn1c(C#N)ccc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC001567629524 1416217218 /nfs/dbraw/zinc/21/72/18/1416217218.db2.gz ZFGFJBKKYIETKB-UHFFFAOYSA-N -1 3 325.246 2.753 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001683728591 1416683476 /nfs/dbraw/zinc/68/34/76/1416683476.db2.gz PTFFICBJRHVXBN-ZMSDIMECSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CC(C)(C)CC(=O)NCCCN(CC)C(=O)c1ccccc1[O-] ZINC001687718301 1416866616 /nfs/dbraw/zinc/86/66/16/1416866616.db2.gz DTPALFXSRSTZLN-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C#CCCN1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1[O-] ZINC001688184743 1416923552 /nfs/dbraw/zinc/92/35/52/1416923552.db2.gz FYOLHADFURGNAG-LJQANCHMSA-N -1 3 334.419 2.745 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001702681743 1417749718 /nfs/dbraw/zinc/74/97/18/1417749718.db2.gz GUHFPBOSGQJYHR-YCPHGPKFSA-N -1 3 330.428 2.714 10 30 EFEEHM CC(C)C#CC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001702731173 1417756662 /nfs/dbraw/zinc/75/66/62/1417756662.db2.gz PHWGXVVCCMGFLY-INIZCTEOSA-N -1 3 342.439 2.505 10 30 EFEEHM CN(CC#Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001713387596 1418501814 /nfs/dbraw/zinc/50/18/14/1418501814.db2.gz HWAQZHBHQVCTRH-LJQANCHMSA-N -1 3 348.446 2.980 10 30 EFEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(CC(=C)Cl)CC1 ZINC001716802680 1419017706 /nfs/dbraw/zinc/01/77/06/1419017706.db2.gz QKOABURSWDCRQJ-UHFFFAOYSA-N -1 3 332.831 2.685 10 30 EFEEHM C#CCCCCC(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001718454168 1422296288 /nfs/dbraw/zinc/29/62/88/1422296288.db2.gz DYLYYQJWVCFVHH-UHFFFAOYSA-N -1 3 342.439 2.649 10 30 EFEEHM CCCCCCCCC(=O)N1CCC[C@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001718726150 1422444251 /nfs/dbraw/zinc/44/42/51/1422444251.db2.gz JDZCQSAIOLSGBN-CABCVRRESA-N -1 3 349.479 2.665 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001718733656 1422449638 /nfs/dbraw/zinc/44/96/38/1422449638.db2.gz JPOLIVIQWYHDGV-CABCVRRESA-N -1 3 342.439 2.763 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001719036620 1422648209 /nfs/dbraw/zinc/64/82/09/1422648209.db2.gz IXEXHVZAGOLBSN-LSDHHAIUSA-N -1 3 330.428 2.573 10 30 EFEEHM CN(CCCCCCNC(=O)c1ccccc1[O-])C(=O)C#CC1CC1 ZINC001719528950 1422745839 /nfs/dbraw/zinc/74/58/39/1422745839.db2.gz ZWEPDZTUWRZZHE-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001721177509 1423511775 /nfs/dbraw/zinc/51/17/75/1423511775.db2.gz ZLMMBVYNXCWYGA-GJZGRUSLSA-N -1 3 330.428 2.715 10 30 EFEEHM CC#CCCCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721440951 1423728083 /nfs/dbraw/zinc/72/80/83/1423728083.db2.gz FCOBVKJIOQIDLJ-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C[C@H](CNC(=O)c1ccccc1[O-])N(C)CC#Cc1ccc(F)cc1 ZINC001725152631 1425337625 /nfs/dbraw/zinc/33/76/25/1425337625.db2.gz CXIVTSAMBDVJSA-OAHLLOKOSA-N -1 3 340.398 2.633 10 30 EFEEHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001725894108 1425946700 /nfs/dbraw/zinc/94/67/00/1425946700.db2.gz UMRHFNOUYRUJGP-ZIAGYGMSSA-N -1 3 330.428 2.762 10 30 EFEEHM C=CCCC(=O)N(C)C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001725924044 1425972038 /nfs/dbraw/zinc/97/20/38/1425972038.db2.gz OPWAPFNIAOCKMK-UHFFFAOYSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001726200654 1426153240 /nfs/dbraw/zinc/15/32/40/1426153240.db2.gz ZLCBWDJOENMCGW-XHSDSOJGSA-N -1 3 342.439 2.715 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)[C@H]1CCCCO1 ZINC000893498457 716104895 /nfs/dbraw/zinc/10/48/95/716104895.db2.gz MSPIGMUMHKGXFC-YVEFUNNKSA-N -1 3 346.427 2.957 10 30 EFEEHM C=CCN(Cc1c([O-])cc(C)cc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000840911567 720850358 /nfs/dbraw/zinc/85/03/58/720850358.db2.gz HUAFTZSMEBQIPD-LBPRGKRZSA-N -1 3 329.849 2.529 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccco1 ZINC000914214695 726169773 /nfs/dbraw/zinc/16/97/73/726169773.db2.gz PMNOTNROBZXFBC-MRXNPFEDSA-N -1 3 348.424 2.575 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000908462752 727190751 /nfs/dbraw/zinc/19/07/51/727190751.db2.gz VTQNURJGFVMTDS-UHFFFAOYSA-N -1 3 339.438 2.931 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908751972 727256713 /nfs/dbraw/zinc/25/67/13/727256713.db2.gz IBJJVNWAVROLNN-SJORKVTESA-N -1 3 347.459 2.570 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000927561016 727518204 /nfs/dbraw/zinc/51/82/04/727518204.db2.gz BXSWFAFQGZEHGH-CMPLNLGQSA-N -1 3 348.271 2.876 10 30 EFEEHM C#CC[C@@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912986481 727766637 /nfs/dbraw/zinc/76/66/37/727766637.db2.gz YOFYQIBGANLYDE-LLVKDONJSA-N -1 3 335.429 2.976 10 30 EFEEHM COCCN(CC#N)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001570082935 1085938369 /nfs/dbraw/zinc/93/83/69/1085938369.db2.gz JEOFZHGBRSDMNL-UHFFFAOYSA-N -1 3 326.352 2.797 10 30 EFEEHM CC(C)C#CC(=O)N1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001571920681 1087196789 /nfs/dbraw/zinc/19/67/89/1087196789.db2.gz OZKUXNKUKDEBNW-MRXNPFEDSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C(C)CCC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001572158784 1087369049 /nfs/dbraw/zinc/36/90/49/1087369049.db2.gz XQWAEFMSMKADCO-UHFFFAOYSA-N -1 3 330.428 2.812 10 30 EFEEHM C#CCCCCCC(=O)N(C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001572284913 1087425565 /nfs/dbraw/zinc/42/55/65/1087425565.db2.gz LHLODQUCZPOOAZ-HNNXBMFYSA-N -1 3 330.428 2.553 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001572685148 1087596453 /nfs/dbraw/zinc/59/64/53/1087596453.db2.gz ZHKLTFKMPDZACG-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=C1CC(C)(C(=O)NCCC2(CNC(=O)c3ccccc3[O-])CC2)C1 ZINC001572721242 1087618958 /nfs/dbraw/zinc/61/89/58/1087618958.db2.gz YARHQFVXONXQEB-UHFFFAOYSA-N -1 3 342.439 2.765 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001573043135 1087666507 /nfs/dbraw/zinc/66/65/07/1087666507.db2.gz SAKMHAMPYUZBJM-BFYDXBDKSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001573111614 1087681678 /nfs/dbraw/zinc/68/16/78/1087681678.db2.gz IOAJZSUPTSQIDM-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001573111613 1087681739 /nfs/dbraw/zinc/68/17/39/1087681739.db2.gz IOAJZSUPTSQIDM-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001647818333 1089884733 /nfs/dbraw/zinc/88/47/33/1089884733.db2.gz DQAIDXUHQKJSGX-CYBMUJFWSA-N -1 3 338.408 2.885 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001647818333 1089884746 /nfs/dbraw/zinc/88/47/46/1089884746.db2.gz DQAIDXUHQKJSGX-CYBMUJFWSA-N -1 3 338.408 2.885 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001581252607 1091107016 /nfs/dbraw/zinc/10/70/16/1091107016.db2.gz VRLDCRIFUBSCTP-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001581521654 1091174944 /nfs/dbraw/zinc/17/49/44/1091174944.db2.gz BQYOIHBJTWSJKI-IBGZPJMESA-N -1 3 330.428 2.715 10 30 EFEEHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001582321940 1091440051 /nfs/dbraw/zinc/44/00/51/1091440051.db2.gz IOHHXORAHSKTLE-HNNXBMFYSA-N -1 3 342.439 2.505 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001582741991 1091651578 /nfs/dbraw/zinc/65/15/78/1091651578.db2.gz LDHZWTLUCAJRGB-HUUCEWRRSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001649479546 1092526807 /nfs/dbraw/zinc/52/68/07/1092526807.db2.gz QZHUMURBCUKVOB-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM Cn1nc(C(=O)N([O-])Cc2ccccc2Cl)cc1Br ZINC001651223508 1093540402 /nfs/dbraw/zinc/54/04/02/1093540402.db2.gz HVVOBSCFTLZIHL-UHFFFAOYSA-N -1 3 344.596 2.868 10 30 EFEEHM CCCCCCN([O-])C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001651228030 1093542048 /nfs/dbraw/zinc/54/20/48/1093542048.db2.gz WEKLKQNCOICZFZ-CQSZACIVSA-N -1 3 344.452 2.811 10 30 EFEEHM N#CCc1cccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000783014680 1095285254 /nfs/dbraw/zinc/28/52/54/1095285254.db2.gz KANPKHOJHWYHHI-UHFFFAOYSA-N -1 3 335.319 2.865 10 30 EFEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001622092820 1099017877 /nfs/dbraw/zinc/01/78/77/1099017877.db2.gz QZMAENKWJLRWRM-SECBINFHSA-N -1 3 336.276 2.899 10 30 EFEEHM C=CCCC1(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CCCC1 ZINC001611590770 1099025088 /nfs/dbraw/zinc/02/50/88/1099025088.db2.gz ZNEDFMXEUBPNPP-UHFFFAOYSA-N -1 3 326.396 2.827 10 30 EFEEHM O=C(c1cnc(OCC2CC2)cn1)N([O-])Cc1ccccc1Cl ZINC001611650601 1099026622 /nfs/dbraw/zinc/02/66/22/1099026622.db2.gz CSDQLPXDDHTECC-UHFFFAOYSA-N -1 3 333.775 2.950 10 30 EFEEHM CC(C)CN1N=C(C(=O)N([O-])Cc2ccccc2Cl)CCC1=O ZINC001611650821 1099026806 /nfs/dbraw/zinc/02/68/06/1099026806.db2.gz LNJPBOQUTXLJIY-UHFFFAOYSA-N -1 3 337.807 2.692 10 30 EFEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001622174567 1099485402 /nfs/dbraw/zinc/48/54/02/1099485402.db2.gz FFCALHNKWVPSSL-UHFFFAOYSA-N -1 3 329.809 2.757 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001622346882 1099503059 /nfs/dbraw/zinc/50/30/59/1099503059.db2.gz QVIJYNKPQRASIC-WCQYABFASA-N -1 3 343.470 2.948 10 30 EFEEHM C=CCC[C@@H](CO)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001623970029 1099646686 /nfs/dbraw/zinc/64/66/86/1099646686.db2.gz YXYGTIDQVUAICD-JTQLQIEISA-N -1 3 341.433 2.547 10 30 EFEEHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2C#N)[n-]n1 ZINC001627267001 1099974712 /nfs/dbraw/zinc/97/47/12/1099974712.db2.gz ZHVJTEOOAOLWRD-HJWRWDBZSA-N -1 3 338.367 2.889 10 30 EFEEHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2C#N)n[n-]1 ZINC001627267001 1099974722 /nfs/dbraw/zinc/97/47/22/1099974722.db2.gz ZHVJTEOOAOLWRD-HJWRWDBZSA-N -1 3 338.367 2.889 10 30 EFEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1OC1CCCCC1 ZINC001628548335 1100112645 /nfs/dbraw/zinc/11/26/45/1100112645.db2.gz VVXPROOSLHJHBS-HNNXBMFYSA-N -1 3 332.400 2.508 10 30 EFEEHM N#Cc1c[nH]nc1[N-]C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001630659043 1100326603 /nfs/dbraw/zinc/32/66/03/1100326603.db2.gz KMFFLCPFBCYLON-UHFFFAOYSA-N -1 3 326.099 2.749 10 30 EFEEHM Cc1ccc(C(=O)C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001631713238 1100421933 /nfs/dbraw/zinc/42/19/33/1100421933.db2.gz GEMMUHPRGODMER-ZHACJKMWSA-N -1 3 333.351 2.553 10 30 EFEEHM Cc1ccc(C(=O)C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001631713238 1100421936 /nfs/dbraw/zinc/42/19/36/1100421936.db2.gz GEMMUHPRGODMER-ZHACJKMWSA-N -1 3 333.351 2.553 10 30 EFEEHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCC[C@@H]1C#N ZINC001631887504 1100437154 /nfs/dbraw/zinc/43/71/54/1100437154.db2.gz FDUCULZVOWAARY-QMTHXVAHSA-N -1 3 329.787 2.946 10 30 EFEEHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1nnc2ccccc2c1[O-] ZINC001635346062 1100655954 /nfs/dbraw/zinc/65/59/54/1100655954.db2.gz NOZQPABTWIGIRQ-UHFFFAOYSA-N -1 3 346.390 2.958 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1sc2cccc(Cl)c2c1Cl ZINC001637457569 1100784012 /nfs/dbraw/zinc/78/40/12/1100784012.db2.gz BQUQNOKDHUGBBK-ZETCQYMHSA-N -1 3 345.207 2.928 10 30 EFEEHM Cc1ccn(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(=O)c1 ZINC001639041194 1100907598 /nfs/dbraw/zinc/90/75/98/1100907598.db2.gz WHDGSEXOXPWQFY-UHFFFAOYSA-N -1 3 341.194 2.882 10 30 EFEEHM CCOC(=O)N1CCC[C@@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001639054594 1100908472 /nfs/dbraw/zinc/90/84/72/1100908472.db2.gz SCMUUYPYBABNAY-CYBMUJFWSA-N -1 3 340.807 2.926 10 30 EFEEHM C#C[C@@](C)(CC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001640971383 1101093229 /nfs/dbraw/zinc/09/32/29/1101093229.db2.gz MFDCHLGMNMDIJO-INIZCTEOSA-N -1 3 347.212 2.822 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001641003861 1101095063 /nfs/dbraw/zinc/09/50/63/1101095063.db2.gz XNHMXYJGTAVMGI-UHFFFAOYSA-N -1 3 345.424 2.667 10 30 EFEEHM O=C(c1cnc2sccn2c1=O)N([O-])CCCCc1ccccc1 ZINC001641862013 1101170623 /nfs/dbraw/zinc/17/06/23/1101170623.db2.gz OOMVEYKCBCIVJY-UHFFFAOYSA-N -1 3 343.408 2.610 10 30 EFEEHM CC(C)(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)nc2ncnn21 ZINC001641877658 1101172590 /nfs/dbraw/zinc/17/25/90/1101172590.db2.gz BARFEHQHVAWYLO-UHFFFAOYSA-N -1 3 343.362 2.593 10 30 EFEEHM Cc1cc(C)cc(C(=O)NCC(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001641878095 1101173130 /nfs/dbraw/zinc/17/31/30/1101173130.db2.gz TVOAETFIRPRZRA-UHFFFAOYSA-N -1 3 330.359 2.590 10 30 EFEEHM CC1(c2ccccc2)CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001642302860 1101204731 /nfs/dbraw/zinc/20/47/31/1101204731.db2.gz DQZRKJGUIASOBF-UHFFFAOYSA-N -1 3 347.422 2.860 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)C[C@@H]2CCc3sccc3C2=O)c1 ZINC001642628921 1101229387 /nfs/dbraw/zinc/22/93/87/1101229387.db2.gz YITPKWGZTXBRCO-LBPRGKRZSA-N -1 3 326.377 2.865 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001653396406 1101617013 /nfs/dbraw/zinc/61/70/13/1101617013.db2.gz GFVQFESXZCBNLL-DEOSSOPVSA-N -1 3 343.408 2.913 10 30 EFEEHM C=C(C)COCC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001654574017 1101734281 /nfs/dbraw/zinc/73/42/81/1101734281.db2.gz SLUYUCJMAPAESL-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM O=C(c1cncc(N2CCCC2=O)c1)N([O-])Cc1ccccc1Cl ZINC001654814256 1101759266 /nfs/dbraw/zinc/75/92/66/1101759266.db2.gz PSXIJGHZOIMVRX-UHFFFAOYSA-N -1 3 345.786 2.893 10 30 EFEEHM O=C([C@H]1C[C@H](c2ccccc2)OC1=O)N([O-])Cc1ccc(F)cc1 ZINC001654828778 1101761570 /nfs/dbraw/zinc/76/15/70/1101761570.db2.gz GQUBXXOXTUZTHL-HZPDHXFCSA-N -1 3 329.327 2.848 10 30 EFEEHM N#Cc1cc([N-]C(=O)c2ccc(Cl)nn2)c(Cl)c([N+](=O)[O-])c1 ZINC001266462472 1102175038 /nfs/dbraw/zinc/17/50/38/1102175038.db2.gz LLSOKGNWKWGQCX-UHFFFAOYSA-N -1 3 338.110 2.816 10 30 EFEEHM C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@H]1c1ccccc1 ZINC001657416150 1102380685 /nfs/dbraw/zinc/38/06/85/1102380685.db2.gz SSBSHPKRYACSIN-RDTXWAMCSA-N -1 3 347.422 2.932 10 30 EFEEHM COc1ccc(C=C(C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1F ZINC000588447911 1102634505 /nfs/dbraw/zinc/63/45/05/1102634505.db2.gz IVQBDMCSTGOUMI-ZWXCPPHNSA-N -1 3 341.342 2.563 10 30 EFEEHM COc1ccc(C=C(C)C([O-])=C(C#N)C(=O)c2nccn2C)cc1F ZINC000588447911 1102634511 /nfs/dbraw/zinc/63/45/11/1102634511.db2.gz IVQBDMCSTGOUMI-ZWXCPPHNSA-N -1 3 341.342 2.563 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(C)C ZINC001663663908 1104185736 /nfs/dbraw/zinc/18/57/36/1104185736.db2.gz GAGSZMOEYRLUFQ-LBPRGKRZSA-N -1 3 348.237 2.833 10 30 EFEEHM C=CCCC1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCCC1 ZINC001664417652 1104385663 /nfs/dbraw/zinc/38/56/63/1104385663.db2.gz UPULQBWRPLCETI-UHFFFAOYSA-N -1 3 331.869 2.878 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OC ZINC001666159216 1104887636 /nfs/dbraw/zinc/88/76/36/1104887636.db2.gz CTECCQZEGPUYPX-LBPRGKRZSA-N -1 3 349.811 2.655 10 30 EFEEHM C#CCOc1ccccc1CNC(=O)NCc1c([O-])cccc1F ZINC001669105038 1105435859 /nfs/dbraw/zinc/43/58/59/1105435859.db2.gz WZQLAFWFGSIJJO-UHFFFAOYSA-N -1 3 328.343 2.543 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc(F)cc1 ZINC001669360058 1105475473 /nfs/dbraw/zinc/47/54/73/1105475473.db2.gz KSTWDVRCSOVNAL-LLVKDONJSA-N -1 3 342.754 2.666 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(Cl)c3nonc32)CC1 ZINC001671401630 1105633266 /nfs/dbraw/zinc/63/32/66/1105633266.db2.gz XMUQHJVEXWPOSW-UHFFFAOYSA-N -1 3 341.820 2.901 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233394 1106394649 /nfs/dbraw/zinc/39/46/49/1106394649.db2.gz KACKNLTXOOZUQR-HNNXBMFYSA-N -1 3 344.459 2.769 10 30 EFEEHM C=C[C@H](CC)CC(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001677754030 1106874182 /nfs/dbraw/zinc/87/41/82/1106874182.db2.gz TTYLMARSOVODQL-WLYUNCDWSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001677839413 1106903805 /nfs/dbraw/zinc/90/38/05/1106903805.db2.gz GBDDWFPHLXYEHD-MHVYXZCWSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001678576845 1107202411 /nfs/dbraw/zinc/20/24/11/1107202411.db2.gz JDHWQYNNSRLAFH-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678772965 1107286511 /nfs/dbraw/zinc/28/65/11/1107286511.db2.gz ZTPKIAXWSKSQLC-YOEHRIQHSA-N -1 3 344.455 2.961 10 30 EFEEHM COC[C@@]1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCOC1 ZINC000904180366 1107674705 /nfs/dbraw/zinc/67/47/05/1107674705.db2.gz KLMLMDGVSAPTLX-AWEZNQCLSA-N -1 3 334.199 2.764 10 30 EFEEHM CO[C@@H]1COCC[C@H]1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172139 1107688385 /nfs/dbraw/zinc/68/83/85/1107688385.db2.gz ZXBNNTTYDUPAGC-MAUKXSAKSA-N -1 3 329.396 2.999 10 30 EFEEHM O=C(C[C@@H](n1ccnc1)C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904177712 1107694375 /nfs/dbraw/zinc/69/43/75/1107694375.db2.gz MAXGKKFMJGJVHI-GFCCVEGCSA-N -1 3 331.269 2.934 10 30 EFEEHM CC1(C)CNC(=O)c2c(C(=O)N([O-])Cc3ccc(F)cc3)coc2C1 ZINC000904178419 1107695542 /nfs/dbraw/zinc/69/55/42/1107695542.db2.gz JEOYZXXFSHGQSW-UHFFFAOYSA-N -1 3 346.358 2.762 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000904208692 1107699714 /nfs/dbraw/zinc/69/97/14/1107699714.db2.gz HFFFEGSZSXLYNZ-OAHLLOKOSA-N -1 3 336.407 2.625 10 30 EFEEHM O=C(c1ccc(N2CCCC2)nn1)N([O-])Cc1ccccc1Cl ZINC000904188355 1107701798 /nfs/dbraw/zinc/70/17/98/1107701798.db2.gz BXFFZJHUPJBZBX-UHFFFAOYSA-N -1 3 332.791 2.762 10 30 EFEEHM Cc1nn(C)c(C)c1OCC(=O)N([O-])CCCCc1ccccc1 ZINC000904197272 1107709543 /nfs/dbraw/zinc/70/95/43/1107709543.db2.gz XVCOPAZZKKGDFU-UHFFFAOYSA-N -1 3 331.416 2.656 10 30 EFEEHM Cn1nc(C(=O)N([O-])CCCCc2ccccc2)cc1OC(F)F ZINC000904197733 1107710224 /nfs/dbraw/zinc/71/02/24/1107710224.db2.gz NHUFFDNGODDIKG-UHFFFAOYSA-N -1 3 339.342 2.876 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@H]1C ZINC000899418804 1109313863 /nfs/dbraw/zinc/31/38/63/1109313863.db2.gz VAZULOAMHVMKPV-AFCVYNCWSA-N -1 3 327.428 2.617 10 30 EFEEHM Cn1cc(Cl)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC001127420396 1111989603 /nfs/dbraw/zinc/98/96/03/1111989603.db2.gz YHMALLVFSVUZSX-UHFFFAOYSA-N -1 3 340.126 2.759 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000052895175 214153562 /nfs/dbraw/zinc/15/35/62/214153562.db2.gz XDUZWTSIYHKMOP-HZPDHXFCSA-N -1 3 341.455 2.835 10 30 EFEEHM COc1cccc(C(=O)NCCSCc2ccccc2C#N)c1[O-] ZINC000194610782 240165069 /nfs/dbraw/zinc/16/50/69/240165069.db2.gz KQAZMDSNPBSFKO-UHFFFAOYSA-N -1 3 342.420 2.936 10 30 EFEEHM C=CCOc1ccc(CNC(=O)c2c([O-])cc(NC)cc2OC)cc1 ZINC000211861563 241086136 /nfs/dbraw/zinc/08/61/36/241086136.db2.gz AFYOWRAXIFATJO-UHFFFAOYSA-N -1 3 342.395 2.937 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC000295837147 241064149 /nfs/dbraw/zinc/06/41/49/241064149.db2.gz WBABQTXWYLKKQA-IUCAKERBSA-N -1 3 334.228 2.749 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)cc2nn[n-]c21 ZINC000328664045 241215240 /nfs/dbraw/zinc/21/52/40/241215240.db2.gz YHZWLBRAJPHGQK-OCCSQVGLSA-N -1 3 328.351 2.782 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)cc2[n-]nnc21 ZINC000328664045 241215244 /nfs/dbraw/zinc/21/52/44/241215244.db2.gz YHZWLBRAJPHGQK-OCCSQVGLSA-N -1 3 328.351 2.782 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@@H]1n1cccn1)c1cc(F)cc2n[n-]nc21 ZINC000328664045 241215250 /nfs/dbraw/zinc/21/52/50/241215250.db2.gz YHZWLBRAJPHGQK-OCCSQVGLSA-N -1 3 328.351 2.782 10 30 EFEEHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1cnc2ccccc2n1 ZINC000361542389 242225628 /nfs/dbraw/zinc/22/56/28/242225628.db2.gz YMISWBJCBJLKPG-HNNXBMFYSA-N -1 3 340.346 2.701 10 30 EFEEHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)CCC2 ZINC000365010273 242315206 /nfs/dbraw/zinc/31/52/06/242315206.db2.gz HCZYKTTZWSLMNC-AWEZNQCLSA-N -1 3 347.465 2.988 10 30 EFEEHM Cn1cc([C@H]([N-]C(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)cn1 ZINC000241961290 243008482 /nfs/dbraw/zinc/00/84/82/243008482.db2.gz URCPEOFOXFUTFU-LBPRGKRZSA-N -1 3 344.243 2.603 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2c[nH]c3ccc(F)cc23)s1 ZINC000435430256 248241141 /nfs/dbraw/zinc/24/11/41/248241141.db2.gz ZSMDCCXLUBHWIM-UHFFFAOYSA-N -1 3 349.412 2.761 10 30 EFEEHM Cc1onc(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1C#N ZINC000442826846 250128204 /nfs/dbraw/zinc/12/82/04/250128204.db2.gz YECSKRCVBWWGOE-UHFFFAOYSA-N -1 3 341.245 2.640 10 30 EFEEHM C=C(C)CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444351945 250290779 /nfs/dbraw/zinc/29/07/79/250290779.db2.gz LZSOVVASOHDCBN-UHFFFAOYSA-N -1 3 335.201 2.939 10 30 EFEEHM COc1cc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)ccc1[O-] ZINC000171350548 533506253 /nfs/dbraw/zinc/50/62/53/533506253.db2.gz ACZCAYRHZDPLDG-HWKANZROSA-N -1 3 346.408 2.590 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2n1 ZINC000350730127 146084859 /nfs/dbraw/zinc/08/48/59/146084859.db2.gz PQBSBWKMNKNEPB-UHFFFAOYSA-N -1 3 326.381 2.624 10 30 EFEEHM COC1CCC(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000355625619 147015785 /nfs/dbraw/zinc/01/57/85/147015785.db2.gz AGQODJDESMYTNW-UHFFFAOYSA-N -1 3 342.848 2.695 10 30 EFEEHM Cc1nc2c(s1)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)CCC2 ZINC000365023718 149299380 /nfs/dbraw/zinc/29/93/80/149299380.db2.gz VWHNIBJFEWUMGX-ZDUSSCGKSA-N -1 3 333.438 2.679 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c(F)c1 ZINC000170940591 544862972 /nfs/dbraw/zinc/86/29/72/544862972.db2.gz ZVNSMWRDDYMWIX-UHFFFAOYSA-N -1 3 344.289 2.593 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nccs1 ZINC000489478328 267221390 /nfs/dbraw/zinc/22/13/90/267221390.db2.gz KCKQKJIVDWLJLJ-LBPRGKRZSA-N -1 3 325.390 2.583 10 30 EFEEHM Cc1cccc([C@H]([N-]S(=O)(=O)c2cccnc2C#N)C(C)C)c1 ZINC000528558562 268057619 /nfs/dbraw/zinc/05/76/19/268057619.db2.gz YZTUYDXTWIQELS-QGZVFWFLSA-N -1 3 329.425 2.937 10 30 EFEEHM N#Cc1cccnc1-n1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cn1 ZINC000302156974 268286814 /nfs/dbraw/zinc/28/68/14/268286814.db2.gz NZZDAGDIFZJOLJ-UHFFFAOYSA-N -1 3 341.718 2.839 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@H]2CCCO2)CCCC1 ZINC000352950669 303144093 /nfs/dbraw/zinc/14/40/93/303144093.db2.gz UISPGZDTMHXRNL-SJORKVTESA-N -1 3 348.468 2.910 10 30 EFEEHM COc1cc(=NC(=O)c2ccccc2Oc2ccccc2C#N)[n-]n1C ZINC000548144335 318078026 /nfs/dbraw/zinc/07/80/26/318078026.db2.gz JMHNHWUVZODZEY-UHFFFAOYSA-N -1 3 348.362 2.767 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)C(F)(F)F ZINC000548865101 318151586 /nfs/dbraw/zinc/15/15/86/318151586.db2.gz PCTUFRJANOCVKS-UHFFFAOYSA-N -1 3 338.326 2.705 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CC12CCSCC2 ZINC000566981208 319128347 /nfs/dbraw/zinc/12/83/47/319128347.db2.gz DRIPEXHXFLVORY-LBPRGKRZSA-N -1 3 340.445 2.509 10 30 EFEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000162074844 473300350 /nfs/dbraw/zinc/30/03/50/473300350.db2.gz ZIPYGCLCKPOXHS-JTQLQIEISA-N -1 3 339.417 2.643 10 30 EFEEHM N#Cc1ccc(N2CC[C@@H](c3cc(=O)[n-]c(N)n3)C2)c(C(F)(F)F)c1 ZINC000600880645 468674437 /nfs/dbraw/zinc/67/44/37/468674437.db2.gz RQGDKKUVBMHCPA-SNVBAGLBSA-N -1 3 349.316 2.649 10 30 EFEEHM COc1ccc(Br)cc1C=NNc1n[nH]c(=S)[n-]1 ZINC000006245264 471536572 /nfs/dbraw/zinc/53/65/72/471536572.db2.gz KIBVEENMMRZXRS-LFYBBSHMSA-N -1 3 328.195 2.684 10 30 EFEEHM COc1ccccc1N1C(=O)CS/C1=N\N=C\c1ccccc1[O-] ZINC000013468323 471831100 /nfs/dbraw/zinc/83/11/00/471831100.db2.gz PMJAIEARRVYHRU-MNVAPZAZSA-N -1 3 341.392 2.871 10 30 EFEEHM C=C[C@H](O)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000616688072 479950152 /nfs/dbraw/zinc/95/01/52/479950152.db2.gz LOJMQOCRLUDKMP-NSHDSACASA-N -1 3 328.206 2.938 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043755462 472260398 /nfs/dbraw/zinc/26/03/98/472260398.db2.gz CBWPAUOWUDVIRK-SSDOTTSWSA-N -1 3 325.250 2.751 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043755462 472260402 /nfs/dbraw/zinc/26/04/02/472260402.db2.gz CBWPAUOWUDVIRK-SSDOTTSWSA-N -1 3 325.250 2.751 10 30 EFEEHM Cc1ccc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000044869470 472345921 /nfs/dbraw/zinc/34/59/21/472345921.db2.gz SFEFIFSXMZSHMI-ZDUSSCGKSA-N -1 3 327.384 2.575 10 30 EFEEHM Cn1c2ccc(F)cc2nc1[N-]S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000097035112 472417877 /nfs/dbraw/zinc/41/78/77/472417877.db2.gz YDSACFHVUVMHHS-UHFFFAOYSA-N -1 3 344.371 2.526 10 30 EFEEHM CC(C)c1nc2c(ccc([O-])c2CO)c(=O)n1-c1ccc(C#N)cc1 ZINC000116802886 472437525 /nfs/dbraw/zinc/43/75/25/472437525.db2.gz USFFYHXYHQGNDP-UHFFFAOYSA-N -1 3 335.363 2.579 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)CCNC(=O)[C@H]3C[C@@H]3C)n[n-]2)s1 ZINC000058228556 472523155 /nfs/dbraw/zinc/52/31/55/472523155.db2.gz GVPOSGOIUGDPMP-WPRPVWTQSA-N -1 3 333.417 2.592 10 30 EFEEHM C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058316999 472544177 /nfs/dbraw/zinc/54/41/77/472544177.db2.gz QGUIYCYMANRFNN-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058316999 472544184 /nfs/dbraw/zinc/54/41/84/472544184.db2.gz QGUIYCYMANRFNN-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058316999 472544189 /nfs/dbraw/zinc/54/41/89/472544189.db2.gz QGUIYCYMANRFNN-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157137937 472789971 /nfs/dbraw/zinc/78/99/71/472789971.db2.gz XGAHUPFEFLXWDV-VIFPVBQESA-N -1 3 325.390 2.502 10 30 EFEEHM CC(=O)N[C@@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000073974401 472914099 /nfs/dbraw/zinc/91/40/99/472914099.db2.gz HBNRUFMWAOCQAB-ZDUSSCGKSA-N -1 3 339.355 2.920 10 30 EFEEHM CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000073974401 472914104 /nfs/dbraw/zinc/91/41/04/472914104.db2.gz HBNRUFMWAOCQAB-ZDUSSCGKSA-N -1 3 339.355 2.920 10 30 EFEEHM CC(=O)N[C@@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000073974401 472914111 /nfs/dbraw/zinc/91/41/11/472914111.db2.gz HBNRUFMWAOCQAB-ZDUSSCGKSA-N -1 3 339.355 2.920 10 30 EFEEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)s1 ZINC000134939329 472995736 /nfs/dbraw/zinc/99/57/36/472995736.db2.gz DMWJMTLXXAJVBV-SECBINFHSA-N -1 3 325.390 2.502 10 30 EFEEHM CCC1CCC(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000074386079 472999009 /nfs/dbraw/zinc/99/90/09/472999009.db2.gz RURTVHNEQLPUFM-UHFFFAOYSA-N -1 3 329.444 2.881 10 30 EFEEHM N#Cc1cccnc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000122943895 473077259 /nfs/dbraw/zinc/07/72/59/473077259.db2.gz ZZSIEXICPAIERQ-UHFFFAOYSA-N -1 3 328.803 2.634 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000110451904 473158944 /nfs/dbraw/zinc/15/89/44/473158944.db2.gz VOLNBPHCOJFMLG-FUHWJXTLSA-N -1 3 349.434 2.716 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000185883554 473538998 /nfs/dbraw/zinc/53/89/98/473538998.db2.gz LNQXWCYHQMHKFK-NSHDSACASA-N -1 3 340.420 2.807 10 30 EFEEHM Cc1cc(Cl)cc(CN2CCN(c3ccc(C#N)cn3)CC2)c1[O-] ZINC000179672580 473706922 /nfs/dbraw/zinc/70/69/22/473706922.db2.gz HCGUZMIPLMIYSG-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM C=CCN(Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000179819646 473734643 /nfs/dbraw/zinc/73/46/43/473734643.db2.gz GBEHLSHYGXAILE-CQSZACIVSA-N -1 3 329.849 2.529 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000173121939 473750562 /nfs/dbraw/zinc/75/05/62/473750562.db2.gz IETQQZLFYOJCFF-UHFFFAOYSA-N -1 3 344.289 2.593 10 30 EFEEHM N#Cc1ccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000264028074 473943608 /nfs/dbraw/zinc/94/36/08/473943608.db2.gz JRCIZLUXWPTMNX-UHFFFAOYSA-N -1 3 347.378 2.513 10 30 EFEEHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2sccc2C#N)c1 ZINC000173973934 473966399 /nfs/dbraw/zinc/96/63/99/473966399.db2.gz AGGOEUHPVHMSPT-UHFFFAOYSA-N -1 3 335.410 2.552 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC2(C1)CCCCC2 ZINC000174008300 473972061 /nfs/dbraw/zinc/97/20/61/473972061.db2.gz IBTOUPRYMLBOSR-UHFFFAOYSA-N -1 3 341.455 2.979 10 30 EFEEHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)s1 ZINC000181289863 474021486 /nfs/dbraw/zinc/02/14/86/474021486.db2.gz QNTKNHGWWSNYHG-QMMMGPOBSA-N -1 3 344.318 2.756 10 30 EFEEHM Cc1csc([N-]C(=O)c2cnc(C(=O)OC(C)(C)C)cn2)c1C#N ZINC000288913034 474088369 /nfs/dbraw/zinc/08/83/69/474088369.db2.gz UYZHQNZJWBVTRM-UHFFFAOYSA-N -1 3 344.396 2.926 10 30 EFEEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282707945 474163171 /nfs/dbraw/zinc/16/31/71/474163171.db2.gz YLEHMAXFWACDCR-UHFFFAOYSA-N -1 3 342.848 2.957 10 30 EFEEHM C[C@@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282955190 474253024 /nfs/dbraw/zinc/25/30/24/474253024.db2.gz KAVNUIIYQBCMTD-ZETCQYMHSA-N -1 3 337.626 2.683 10 30 EFEEHM COCc1ncsc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000283803672 474499828 /nfs/dbraw/zinc/49/98/28/474499828.db2.gz BHBVQZAAJFGHPZ-UHFFFAOYSA-N -1 3 328.397 2.687 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000272727711 474624491 /nfs/dbraw/zinc/62/44/91/474624491.db2.gz JFLRDUAGYHFJCN-ZDUSSCGKSA-N -1 3 330.392 2.776 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000272727711 474624496 /nfs/dbraw/zinc/62/44/96/474624496.db2.gz JFLRDUAGYHFJCN-ZDUSSCGKSA-N -1 3 330.392 2.776 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000272727711 474624500 /nfs/dbraw/zinc/62/45/00/474624500.db2.gz JFLRDUAGYHFJCN-ZDUSSCGKSA-N -1 3 330.392 2.776 10 30 EFEEHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000609134293 480116563 /nfs/dbraw/zinc/11/65/63/480116563.db2.gz FUSVEOTUOVPHFW-QMTHXVAHSA-N -1 3 334.372 2.892 10 30 EFEEHM C[C@H](CC#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000340810042 474681925 /nfs/dbraw/zinc/68/19/25/474681925.db2.gz BUJBASIEDXBLRO-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC000344771731 474789551 /nfs/dbraw/zinc/78/95/51/474789551.db2.gz JPOHGNFUEISRLQ-UHFFFAOYSA-N -1 3 347.362 2.709 10 30 EFEEHM C=C(C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)c1ccccc1 ZINC000344890110 474807586 /nfs/dbraw/zinc/80/75/86/474807586.db2.gz TTZYAOHQGOSOIS-UHFFFAOYSA-N -1 3 348.380 2.595 10 30 EFEEHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000344957527 474818656 /nfs/dbraw/zinc/81/86/56/474818656.db2.gz BBXKVRQWSLRQIS-UHFFFAOYSA-N -1 3 335.351 2.709 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000273356581 474856119 /nfs/dbraw/zinc/85/61/19/474856119.db2.gz DNJYHEOAGLTNQH-ZDUSSCGKSA-N -1 3 332.408 2.720 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000273356581 474856126 /nfs/dbraw/zinc/85/61/26/474856126.db2.gz DNJYHEOAGLTNQH-ZDUSSCGKSA-N -1 3 332.408 2.720 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000295214108 475112362 /nfs/dbraw/zinc/11/23/62/475112362.db2.gz AXPDPLNIVDKFOO-UHFFFAOYSA-N -1 3 337.775 2.571 10 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/nfs/dbraw/zinc/48/09/38/475480938.db2.gz GOWJKOFGMNMCAL-UHFFFAOYSA-N -1 3 336.310 2.708 10 30 EFEEHM COCc1ccccc1CS(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000342430859 475598583 /nfs/dbraw/zinc/59/85/83/475598583.db2.gz DIPSNSJZBMYMLM-RHSMWYFYSA-N -1 3 336.457 2.725 10 30 EFEEHM CC(C)(C)c1csc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000352860922 475658728 /nfs/dbraw/zinc/65/87/28/475658728.db2.gz CNWUYOUCBVYPSZ-UHFFFAOYSA-N -1 3 341.502 2.944 10 30 EFEEHM C=CCOc1ccc(C(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)cc1OC ZINC000352989776 475676784 /nfs/dbraw/zinc/67/67/84/475676784.db2.gz RNRHMCWKXYSDPK-AWEZNQCLSA-N -1 3 343.383 2.509 10 30 EFEEHM Cc1nsc([N-]C(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)c1C#N ZINC000297419211 475750542 /nfs/dbraw/zinc/75/05/42/475750542.db2.gz MFRWOHLJCDVXNL-VIFPVBQESA-N -1 3 332.389 2.584 10 30 EFEEHM N#Cc1cccc(CNC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000340246768 475887347 /nfs/dbraw/zinc/88/73/47/475887347.db2.gz IBVJWPIMFIUGMX-UHFFFAOYSA-N -1 3 345.196 2.885 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc(-c2ccccc2)[n-][nH]1 ZINC000353368371 475910555 /nfs/dbraw/zinc/91/05/55/475910555.db2.gz IMKHPNHWNALUJY-CYBMUJFWSA-N -1 3 332.363 2.776 10 30 EFEEHM C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000362093016 475994164 /nfs/dbraw/zinc/99/41/64/475994164.db2.gz AWYNOGWGCBWLJP-ZETCQYMHSA-N -1 3 326.727 2.831 10 30 EFEEHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000349877784 476014795 /nfs/dbraw/zinc/01/47/95/476014795.db2.gz RFDORSUKJNEVRY-AWEZNQCLSA-N -1 3 342.848 2.641 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000349877793 476014945 /nfs/dbraw/zinc/01/49/45/476014945.db2.gz RFDORSUKJNEVRY-CQSZACIVSA-N -1 3 342.848 2.641 10 30 EFEEHM C[C@H](C#N)CN(C(=O)Cc1ccc(Br)cc1[O-])C1CC1 ZINC000343663337 476100659 /nfs/dbraw/zinc/10/06/59/476100659.db2.gz IVFWCVJWKDQQPE-SNVBAGLBSA-N -1 3 337.217 2.848 10 30 EFEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000351107071 476339393 /nfs/dbraw/zinc/33/93/93/476339393.db2.gz JAIWZKPLKVSNAS-GFCCVEGCSA-N -1 3 336.841 2.711 10 30 EFEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000351107073 476339362 /nfs/dbraw/zinc/33/93/62/476339362.db2.gz JAIWZKPLKVSNAS-LBPRGKRZSA-N -1 3 336.841 2.711 10 30 EFEEHM Cc1cnc([C@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)s1 ZINC000354081160 476412286 /nfs/dbraw/zinc/41/22/86/476412286.db2.gz ZDKBHYAUJQRCDZ-CYBMUJFWSA-N -1 3 339.486 2.906 10 30 EFEEHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2c(F)cccc2F)n1 ZINC000377956943 476653875 /nfs/dbraw/zinc/65/38/75/476653875.db2.gz ZUYUUDXFCWLCSJ-UHFFFAOYSA-N -1 3 331.307 2.935 10 30 EFEEHM N#Cc1cccnc1-n1cc(NC(=O)c2cc([O-])ccc2Cl)cn1 ZINC000365641853 476659438 /nfs/dbraw/zinc/65/94/38/476659438.db2.gz HILSDGDCJDZPKW-UHFFFAOYSA-N -1 3 339.742 2.750 10 30 EFEEHM Cc1cc(C)n(Cc2ccc(C([O-])=C(C#N)c3ccncn3)cc2)n1 ZINC000354454908 476671987 /nfs/dbraw/zinc/67/19/87/476671987.db2.gz ASNMKONZQAANGW-KRWDZBQOSA-N -1 3 331.379 2.828 10 30 EFEEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)o1 ZINC000451961345 476747973 /nfs/dbraw/zinc/74/79/73/476747973.db2.gz SBYHVKRZHMGGHB-UHFFFAOYSA-N -1 3 339.804 2.631 10 30 EFEEHM N#Cc1cn(Cc2noc(-c3ccccc3[O-])n2)c2ccccc2c1=O ZINC000370605787 476891056 /nfs/dbraw/zinc/89/10/56/476891056.db2.gz DAYXHZRWMUNRMN-UHFFFAOYSA-N -1 3 344.330 2.677 10 30 EFEEHM N#CCCC[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1 ZINC000431617756 477062583 /nfs/dbraw/zinc/06/25/83/477062583.db2.gz NZUXACNQCGUSMH-HNNXBMFYSA-N -1 3 340.408 2.667 10 30 EFEEHM N#CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1 ZINC000431622947 477063091 /nfs/dbraw/zinc/06/30/91/477063091.db2.gz HJUUVCZSGWLKSF-OAHLLOKOSA-N -1 3 329.381 2.865 10 30 EFEEHM C=CCC1(C(=O)Nc2nc3cccc(C(=O)OC)c3[n-]2)CCOCC1 ZINC000424737353 477499951 /nfs/dbraw/zinc/49/99/51/477499951.db2.gz OEKMYQHYZFOVOU-UHFFFAOYSA-N -1 3 343.383 2.661 10 30 EFEEHM C=CCC1(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)CCOCC1 ZINC000424737353 477499955 /nfs/dbraw/zinc/49/99/55/477499955.db2.gz OEKMYQHYZFOVOU-UHFFFAOYSA-N -1 3 343.383 2.661 10 30 EFEEHM CCc1cc(=O)[n-]c(CSCc2c(C#N)cccc2[N+](=O)[O-])n1 ZINC000419448244 477511054 /nfs/dbraw/zinc/51/10/54/477511054.db2.gz XKPIHSKHBBEJJP-UHFFFAOYSA-N -1 3 330.369 2.958 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000425177308 477660540 /nfs/dbraw/zinc/66/05/40/477660540.db2.gz FPKJLIUDJKFETI-JQWIXIFHSA-N -1 3 335.347 2.575 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000437506168 477712543 /nfs/dbraw/zinc/71/25/43/477712543.db2.gz GIZXPARLTOCDHA-CJNGLKHVSA-N -1 3 331.412 2.817 10 30 EFEEHM N#Cc1ccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000426742284 477745200 /nfs/dbraw/zinc/74/52/00/477745200.db2.gz ORIBCFNQEIJZCM-GOSISDBHSA-N -1 3 335.407 2.554 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000420758994 477781186 /nfs/dbraw/zinc/78/11/86/477781186.db2.gz VRYFDOCUHUVJKV-ONGXEEELSA-N -1 3 348.346 2.788 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)cc1Cl ZINC000428250095 477852053 /nfs/dbraw/zinc/85/20/53/477852053.db2.gz PTSVIFJXYKWQLB-UHFFFAOYSA-N -1 3 342.207 2.739 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000428261514 477855385 /nfs/dbraw/zinc/85/53/85/477855385.db2.gz CULJWJLGNIYDCI-HZPDHXFCSA-N -1 3 341.436 2.958 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000428261518 477856555 /nfs/dbraw/zinc/85/65/55/477856555.db2.gz CULJWJLGNIYDCI-JKSUJKDBSA-N -1 3 341.436 2.958 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2ncsc2c1 ZINC000428416936 477888592 /nfs/dbraw/zinc/88/85/92/477888592.db2.gz BTNYFOWUMAGBEJ-SNVBAGLBSA-N -1 3 344.421 2.602 10 30 EFEEHM C[C@@H](C#N)CN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CC1 ZINC000532816802 477995171 /nfs/dbraw/zinc/99/51/71/477995171.db2.gz RUROSGQWXLFTQK-ZDUSSCGKSA-N -1 3 348.410 2.645 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000440051934 478064863 /nfs/dbraw/zinc/06/48/63/478064863.db2.gz NEEHRPOXGZROOZ-CYBMUJFWSA-N -1 3 339.417 2.725 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(F)c1 ZINC000536156376 478242402 /nfs/dbraw/zinc/24/24/02/478242402.db2.gz WCUOAPZTTWRALH-MRXNPFEDSA-N -1 3 331.372 2.522 10 30 EFEEHM Cc1cccnc1[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)C(C)C ZINC000489463541 478248592 /nfs/dbraw/zinc/24/85/92/478248592.db2.gz MXCNQKFOFQBZRS-MRXNPFEDSA-N -1 3 344.440 2.641 10 30 EFEEHM N#CCCCCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000594215747 478278624 /nfs/dbraw/zinc/27/86/24/478278624.db2.gz WRCMKDAGWGATCA-UHFFFAOYSA-N -1 3 329.400 2.653 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccc(C#N)cc1 ZINC000562781337 478347696 /nfs/dbraw/zinc/34/76/96/478347696.db2.gz HPSLFHSWPPNWRH-QWHCGFSZSA-N -1 3 344.440 2.692 10 30 EFEEHM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594479336 478402950 /nfs/dbraw/zinc/40/29/50/478402950.db2.gz SFPARHPSJSCYJY-GFCCVEGCSA-N -1 3 344.864 2.941 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594482512 478405898 /nfs/dbraw/zinc/40/58/98/478405898.db2.gz YYZTVJAGTZAXPN-UHFFFAOYSA-N -1 3 333.438 2.681 10 30 EFEEHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)C1CCCCCC1 ZINC000594482813 478406477 /nfs/dbraw/zinc/40/64/77/478406477.db2.gz ZFWKFTZXEARFAZ-OAHLLOKOSA-N -1 3 344.477 2.502 10 30 EFEEHM N#CCC1(CS(=O)(=O)[N-][C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000594487556 478407112 /nfs/dbraw/zinc/40/71/12/478407112.db2.gz LGKKAUSKFCJPHL-OAHLLOKOSA-N -1 3 345.424 2.572 10 30 EFEEHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(Br)c1C ZINC000594578913 478445844 /nfs/dbraw/zinc/44/58/44/478445844.db2.gz TXJIDXSVOASKIP-GFCCVEGCSA-N -1 3 345.262 2.869 10 30 EFEEHM C=CCCCS(=O)(=O)[N-]c1cncc(C(=O)OC(C)(C)C)c1 ZINC000594581763 478447937 /nfs/dbraw/zinc/44/79/37/478447937.db2.gz BZFKSACDAASJBJ-UHFFFAOYSA-N -1 3 326.418 2.745 10 30 EFEEHM CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C#N)c1)C1CC1 ZINC000600642574 478452204 /nfs/dbraw/zinc/45/22/04/478452204.db2.gz XRIFFSRNHCTODL-AWEZNQCLSA-N -1 3 328.821 2.768 10 30 EFEEHM N#Cc1cccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000594659576 478482870 /nfs/dbraw/zinc/48/28/70/478482870.db2.gz FVQMMSAZQMYXDT-SFHVURJKSA-N -1 3 330.391 2.783 10 30 EFEEHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594758448 478533489 /nfs/dbraw/zinc/53/34/89/478533489.db2.gz RLLRYLZBSDHODF-ZETCQYMHSA-N -1 3 337.626 2.540 10 30 EFEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccccc1F ZINC000594832474 478555576 /nfs/dbraw/zinc/55/55/76/478555576.db2.gz YQZAIGUSAOLNKY-MRXNPFEDSA-N -1 3 333.388 2.768 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1(F)F ZINC000594855410 478561847 /nfs/dbraw/zinc/56/18/47/478561847.db2.gz AOHAMWKAEBUDSR-GFCCVEGCSA-N -1 3 334.775 2.925 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCCCC1)C1CCCC1 ZINC000594884172 478571814 /nfs/dbraw/zinc/57/18/14/478571814.db2.gz JHPQXYHJNVAWLM-HNNXBMFYSA-N -1 3 328.478 2.585 10 30 EFEEHM COc1cccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1F ZINC000594884377 478573394 /nfs/dbraw/zinc/57/33/94/478573394.db2.gz QJHVUPVZEFHSFH-UHFFFAOYSA-N -1 3 326.393 2.587 10 30 EFEEHM COC(=O)CCn1nc(C)c([N-]c2nc(C#N)c(Cl)s2)c1C ZINC000601238476 478741709 /nfs/dbraw/zinc/74/17/09/478741709.db2.gz AQZRJTBJNRZENH-UHFFFAOYSA-N -1 3 339.808 2.788 10 30 EFEEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(F)F ZINC000595350378 478742106 /nfs/dbraw/zinc/74/21/06/478742106.db2.gz BMZQKYNIKAMNHM-NSHDSACASA-N -1 3 334.775 2.781 10 30 EFEEHM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000595386542 478757875 /nfs/dbraw/zinc/75/78/75/478757875.db2.gz DPFLHXINSVHIMB-HNNXBMFYSA-N -1 3 327.409 2.618 10 30 EFEEHM CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H](C)C#N ZINC000598358580 478786324 /nfs/dbraw/zinc/78/63/24/478786324.db2.gz GVUBFJGDMQDWMC-SECBINFHSA-N -1 3 348.200 2.665 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1nccs1 ZINC000601351269 478798010 /nfs/dbraw/zinc/79/80/10/478798010.db2.gz CAJABKAKZBLVLN-GFCCVEGCSA-N -1 3 339.417 2.892 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cscc2Br)CCCC1 ZINC000601453490 478840141 /nfs/dbraw/zinc/84/01/41/478840141.db2.gz KQKMRNPVBJSHMY-UHFFFAOYSA-N -1 3 349.275 2.873 10 30 EFEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000544710512 478861047 /nfs/dbraw/zinc/86/10/47/478861047.db2.gz XVWAVUDCVOTGLA-LLVKDONJSA-N -1 3 331.821 2.760 10 30 EFEEHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCC[C@H]1C#N ZINC000601820581 479019671 /nfs/dbraw/zinc/01/96/71/479019671.db2.gz PEWAHQGDBKOYTL-LKFCYVNXSA-N -1 3 331.322 2.571 10 30 EFEEHM C=CCCCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000566420885 479091510 /nfs/dbraw/zinc/09/15/10/479091510.db2.gz RWGXABNWXUVCPQ-UHFFFAOYSA-N -1 3 343.424 2.602 10 30 EFEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000592949562 479106376 /nfs/dbraw/zinc/10/63/76/479106376.db2.gz JMBBYZZCQHRBCB-MRXNPFEDSA-N -1 3 337.427 2.743 10 30 EFEEHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000584469911 479147567 /nfs/dbraw/zinc/14/75/67/479147567.db2.gz CPTXHQXEHQLGNO-PBHICJAKSA-N -1 3 331.441 2.645 10 30 EFEEHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccccc2)CCCCCC1 ZINC000529426844 479157008 /nfs/dbraw/zinc/15/70/08/479157008.db2.gz IDVPUSVQOKUVOL-INIZCTEOSA-N -1 3 330.428 2.775 10 30 EFEEHM Cc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(F)c1F ZINC000599296583 479243176 /nfs/dbraw/zinc/24/31/76/479243176.db2.gz CAWVPKPFZHIRME-UHFFFAOYSA-N -1 3 328.384 2.882 10 30 EFEEHM Cc1ccc(OCC[N-]S(=O)(=O)c2ccsc2C#N)c(C)c1 ZINC000593525839 479377388 /nfs/dbraw/zinc/37/73/88/479377388.db2.gz LOQLPYJXORJJON-UHFFFAOYSA-N -1 3 336.438 2.594 10 30 EFEEHM COc1ccc(C)cc1[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593526180 479377439 /nfs/dbraw/zinc/37/74/39/479377439.db2.gz QIKSEJANTBUSQN-NSHDSACASA-N -1 3 336.438 2.976 10 30 EFEEHM CC(C)Oc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593530507 479378291 /nfs/dbraw/zinc/37/82/91/479378291.db2.gz YIFMLCSHTKYZOB-UHFFFAOYSA-N -1 3 336.438 2.885 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccc(F)cc2)CC1 ZINC000593531106 479378652 /nfs/dbraw/zinc/37/86/52/479378652.db2.gz BFYSENYUIADSCY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/40/58/21/479405821.db2.gz CJPCMJNREISPOB-UHFFFAOYSA-N -1 3 328.821 2.711 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Cl)c1 ZINC000611538487 479409771 /nfs/dbraw/zinc/40/97/71/479409771.db2.gz AJSHCATZLJJFML-UHFFFAOYSA-N -1 3 331.180 2.937 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC ZINC000577767645 479597198 /nfs/dbraw/zinc/59/71/98/479597198.db2.gz HXTQIEYJTIZMAC-UHFFFAOYSA-N -1 3 347.458 2.568 10 30 EFEEHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000618891929 479625311 /nfs/dbraw/zinc/62/53/11/479625311.db2.gz GGJAEFCGSVYRJM-KRWDZBQOSA-N -1 3 329.359 2.817 10 30 EFEEHM CCOC(=O)c1sc([N-]C(=O)c2cc(C)nc(C)n2)c(C#N)c1C ZINC000612438305 479673140 /nfs/dbraw/zinc/67/31/40/479673140.db2.gz HXDJRSULUIHWSJ-UHFFFAOYSA-N -1 3 344.396 2.764 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C#N)c1 ZINC000610338738 480282525 /nfs/dbraw/zinc/28/25/25/480282525.db2.gz QMLATOLUGSTSLC-SECBINFHSA-N -1 3 337.382 2.567 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1CCCCO1 ZINC000610715854 480372071 /nfs/dbraw/zinc/37/20/71/480372071.db2.gz QPLZXTZRZZISJN-HNNXBMFYSA-N -1 3 340.420 2.571 10 30 EFEEHM CCC[C@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000618201398 480567186 /nfs/dbraw/zinc/56/71/86/480567186.db2.gz UZFDTURCADXEHM-SNVBAGLBSA-N -1 3 348.200 2.713 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)c2c(C(F)(F)F)cnn2C)CCCC1 ZINC000632562804 480632449 /nfs/dbraw/zinc/63/24/49/480632449.db2.gz ZSMHBSRUOVHXIH-UHFFFAOYSA-N -1 3 337.367 2.606 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000632641990 480661797 /nfs/dbraw/zinc/66/17/97/480661797.db2.gz FZBGCLIJTJKOKW-UHFFFAOYSA-N -1 3 344.502 2.655 10 30 EFEEHM C=C1CC(C)(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)C1 ZINC000630601842 480800309 /nfs/dbraw/zinc/80/03/09/480800309.db2.gz OOJSBVCLOMPVDL-UHFFFAOYSA-N -1 3 328.412 2.926 10 30 EFEEHM C=CCOc1ccc(CN2CC[C@@](COC)(C(=O)[O-])C2)cc1Cl ZINC000635316823 480821412 /nfs/dbraw/zinc/82/14/12/480821412.db2.gz CYZODNLQWZFXHB-QGZVFWFLSA-N -1 3 339.819 2.828 10 30 EFEEHM C=CCCCCCNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000654891220 482087361 /nfs/dbraw/zinc/08/73/61/482087361.db2.gz OIMZBKNZEYEWFL-UHFFFAOYSA-N -1 3 326.400 2.673 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000661114137 482331551 /nfs/dbraw/zinc/33/15/51/482331551.db2.gz DVNABVUPYQJTDZ-ZIAGYGMSSA-N -1 3 333.457 2.733 10 30 EFEEHM Cc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1C ZINC000173227969 534389835 /nfs/dbraw/zinc/38/98/35/534389835.db2.gz DPBHKROGIMPVAU-UHFFFAOYSA-N -1 3 341.845 2.764 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 ZINC000078004525 522680744 /nfs/dbraw/zinc/68/07/44/522680744.db2.gz UJLAQCNDIWDRGR-LBPRGKRZSA-N -1 3 325.390 2.583 10 30 EFEEHM O=C1c2cccc([O-])c2C/C1=C/c1cnc(N2CCOCC2)s1 ZINC000171045599 534848964 /nfs/dbraw/zinc/84/89/64/534848964.db2.gz LLJUDOSYCZYHLD-FLIBITNWSA-N -1 3 328.393 2.508 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1C[C@@H]1c1ccccc1 ZINC000157463722 526563698 /nfs/dbraw/zinc/56/36/98/526563698.db2.gz JQKLXWPCMZDQIF-GDBMZVCRSA-N -1 3 330.384 2.779 10 30 EFEEHM CC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302500381 535396630 /nfs/dbraw/zinc/39/66/30/535396630.db2.gz WXRUMHSOJMCPQC-ZETCQYMHSA-N -1 3 337.626 2.683 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000360259574 536641652 /nfs/dbraw/zinc/64/16/52/536641652.db2.gz XLTUPYKATKHQJC-QGZVFWFLSA-N -1 3 348.399 2.504 10 30 EFEEHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000354089038 546067928 /nfs/dbraw/zinc/06/79/28/546067928.db2.gz WMRSGTYJGMYBML-UHFFFAOYSA-N -1 3 338.758 2.568 10 30 EFEEHM N#Cc1ccc(Cl)c(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000354089038 546067932 /nfs/dbraw/zinc/06/79/32/546067932.db2.gz WMRSGTYJGMYBML-UHFFFAOYSA-N -1 3 338.758 2.568 10 30 EFEEHM O=C1[N-][C@@H](CF)C(=O)N1C(CCC(F)(F)F)CCC(F)(F)F ZINC000656843784 546948345 /nfs/dbraw/zinc/94/83/45/546948345.db2.gz FQLCKNOLVUPRIG-ZETCQYMHSA-N -1 3 338.223 2.930 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3c(F)cccc3F)C2)c1[O-] ZINC000755032002 575532434 /nfs/dbraw/zinc/53/24/34/575532434.db2.gz PIXVJTYJHDHGMU-WGHCDHDESA-N -1 3 347.365 2.564 10 30 EFEEHM CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])cn2)cc1 ZINC000755605450 575607138 /nfs/dbraw/zinc/60/71/38/575607138.db2.gz YXKMEOCQFVAXLA-UHFFFAOYSA-N -1 3 341.396 2.615 10 30 EFEEHM CC(C)Oc1ccc(NC(=S)NN=Cc2ccc([O-])cn2)cc1 ZINC000755689056 575618946 /nfs/dbraw/zinc/61/89/46/575618946.db2.gz KRPFLUZZVGYSRM-UHFFFAOYSA-N -1 3 330.413 2.895 10 30 EFEEHM COc1ccc(C(F)(F)C(=O)[N-]Cc2ccc(OC)c(C#N)c2)cc1 ZINC000756014682 575672415 /nfs/dbraw/zinc/67/24/15/575672415.db2.gz KXNKEEJPQGMAIZ-UHFFFAOYSA-N -1 3 346.333 2.984 10 30 EFEEHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000759230052 575887357 /nfs/dbraw/zinc/88/73/57/575887357.db2.gz CUOHPVAVJJLLIS-SBDDDAINSA-N -1 3 328.368 2.666 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccccc2-n2cccn2)c1[O-] ZINC000759641646 575914273 /nfs/dbraw/zinc/91/42/73/575914273.db2.gz DTGXKTUINZNEAG-PUFAJPFRSA-N -1 3 336.395 2.954 10 30 EFEEHM CN1CCC(=N[N-]c2nnc(-c3ccccc3)n2-c2ccccc2)C1=O ZINC000761781252 576211735 /nfs/dbraw/zinc/21/17/35/576211735.db2.gz CXLOFJOJZPVBGM-UHFFFAOYSA-N -1 3 346.394 2.564 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)O[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000767753203 577231709 /nfs/dbraw/zinc/23/17/09/577231709.db2.gz ZQMHCCDIIQGIKH-OLZOCXBDSA-N -1 3 339.392 2.824 10 30 EFEEHM C=C(COC(=O)c1cn[n-]c1-c1c(F)cccc1F)C(=O)OCC ZINC000768141595 577257266 /nfs/dbraw/zinc/25/72/66/577257266.db2.gz BKMFAYYDUBUSJG-UHFFFAOYSA-N -1 3 336.294 2.631 10 30 EFEEHM C=C(COC(=O)c1c[n-]nc1-c1c(F)cccc1F)C(=O)OCC ZINC000768141595 577257267 /nfs/dbraw/zinc/25/72/67/577257267.db2.gz BKMFAYYDUBUSJG-UHFFFAOYSA-N -1 3 336.294 2.631 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccccc1Br ZINC000768879296 577313295 /nfs/dbraw/zinc/31/32/95/577313295.db2.gz AHVKZDYLSSOLKZ-SBDDDAINSA-N -1 3 343.246 2.887 10 30 EFEEHM N#Cc1ccsc1[N-]C(=O)c1cnn2cc(Br)cnc12 ZINC000770265187 577409142 /nfs/dbraw/zinc/40/91/42/577409142.db2.gz HUXKRKIFEZDBCS-UHFFFAOYSA-N -1 3 348.185 2.677 10 30 EFEEHM CCOc1cc(C=NN[C@@H](C)CC#N)cc(Br)c1[O-] ZINC000771888399 581255079 /nfs/dbraw/zinc/25/50/79/581255079.db2.gz BRLPSTNPNVVVHE-VIFPVBQESA-N -1 3 326.194 2.779 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000773058111 581391827 /nfs/dbraw/zinc/39/18/27/581391827.db2.gz RBRLPXUXYQPGGW-UONOGXRCSA-N -1 3 348.251 2.594 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000773872260 581471276 /nfs/dbraw/zinc/47/12/76/581471276.db2.gz OQLGXHTXJDYRLI-ZDUSSCGKSA-N -1 3 343.420 2.782 10 30 EFEEHM [O-]c1ccc(Cl)cc1/C=N/Cc1cccc(N2CCOCC2)n1 ZINC000773905216 581473166 /nfs/dbraw/zinc/47/31/66/581473166.db2.gz JOKYZAAPRKIEMP-YBFXNURJSA-N -1 3 331.803 2.896 10 30 EFEEHM COC(=O)c1cc2ccccc2c(CN2CCSC[C@H]2C#N)c1[O-] ZINC000774641957 581496174 /nfs/dbraw/zinc/49/61/74/581496174.db2.gz JPPZOOSLGMQIDQ-CYBMUJFWSA-N -1 3 342.420 2.773 10 30 EFEEHM C[C@@H](NC(=O)C1CCCC1)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051782 1258016726 /nfs/dbraw/zinc/01/67/26/1258016726.db2.gz GVHFGULXUZENGL-OAHLLOKOSA-N -1 3 332.444 2.922 10 30 EFEEHM O=C([C@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC001649069610 1258161206 /nfs/dbraw/zinc/16/12/06/1258161206.db2.gz FGOVZOJAHUQDTQ-ZDUSSCGKSA-N -1 3 346.333 2.736 10 30 EFEEHM C=CCC(C)(C)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001486581399 1263464338 /nfs/dbraw/zinc/46/43/38/1263464338.db2.gz QQSOXBWFEDULKV-UHFFFAOYSA-N -1 3 330.428 2.619 10 30 EFEEHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1 ZINC000791772015 1278317985 /nfs/dbraw/zinc/31/79/85/1278317985.db2.gz SWGWWWHHBOQEAX-CYBMUJFWSA-N -1 3 342.424 2.666 10 30 EFEEHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1C ZINC000791784183 1278374366 /nfs/dbraw/zinc/37/43/66/1278374366.db2.gz QCZRLCJPODWREM-YPMHNXCESA-N -1 3 325.372 2.519 10 30 EFEEHM C#CCO[N-]C(=O)CCCCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000825136755 1278425654 /nfs/dbraw/zinc/42/56/54/1278425654.db2.gz GPEOGILXUUQLCE-UHFFFAOYSA-N -1 3 338.448 2.875 10 30 EFEEHM COc1ccccc1[C@]1(C)C[C@@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000741464027 1269540944 /nfs/dbraw/zinc/54/09/44/1269540944.db2.gz JYMKYCUFTOTEPT-XVSPKSMYSA-N -1 3 326.396 2.746 10 30 EFEEHM C#Cc1cccc(NC(=O)CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC000792066666 1278524960 /nfs/dbraw/zinc/52/49/60/1278524960.db2.gz PQAXARQZEJOFAH-UHFFFAOYSA-N -1 3 344.370 2.895 10 30 EFEEHM C#CC[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000844005859 1278715022 /nfs/dbraw/zinc/71/50/22/1278715022.db2.gz SYRSFTAUENZREN-NSHDSACASA-N -1 3 330.334 2.682 10 30 EFEEHM N#Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1F ZINC000792318691 1278724227 /nfs/dbraw/zinc/72/42/27/1278724227.db2.gz XDBLFFIBBBTZSF-UHFFFAOYSA-N -1 3 339.282 2.810 10 30 EFEEHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000788057482 1276017503 /nfs/dbraw/zinc/01/75/03/1276017503.db2.gz LMJCXQVRXUPRGZ-UHFFFAOYSA-N -1 3 335.356 2.647 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)C1(Cc2cccc(Cl)c2)CCCC1 ZINC000820185341 1277065316 /nfs/dbraw/zinc/06/53/16/1277065316.db2.gz NJANFKPFFCVXPJ-CQSZACIVSA-N -1 3 336.819 2.549 10 30 EFEEHM N#C[C@]1([N-]C(=O)C(F)(F)C2CCOCC2)CCc2ccccc2C1 ZINC000790900531 1277855807 /nfs/dbraw/zinc/85/58/07/1277855807.db2.gz BJQVEKGBYXPDRK-KRWDZBQOSA-N -1 3 334.366 2.616 10 30 EFEEHM Cc1cc(COCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)on1 ZINC000845846782 1279862432 /nfs/dbraw/zinc/86/24/32/1279862432.db2.gz VPZOVNNPNLJJPP-MRXNPFEDSA-N -1 3 338.363 2.509 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@@]1(F)Cl ZINC000845974708 1279950682 /nfs/dbraw/zinc/95/06/82/1279950682.db2.gz DKCRKHDGOVQOPD-STQMWFEESA-N -1 3 334.775 2.680 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@]1(F)Cl ZINC000845974706 1279951000 /nfs/dbraw/zinc/95/10/00/1279951000.db2.gz DKCRKHDGOVQOPD-QWHCGFSZSA-N -1 3 334.775 2.680 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)C[C@@]1(F)Cl ZINC000845980865 1279956320 /nfs/dbraw/zinc/95/63/20/1279956320.db2.gz MHKYBQGAISGTME-OLZOCXBDSA-N -1 3 334.775 2.680 10 30 EFEEHM N#CCc1ccc(CS(=O)(=O)[N-]c2ccc3c(n2)CCCC3)cc1 ZINC000872010814 1287398157 /nfs/dbraw/zinc/39/81/57/1287398157.db2.gz JYJDPJNQTUXAPA-UHFFFAOYSA-N -1 3 341.436 2.968 10 30 EFEEHM O=C1O[C@H](C/N=C/c2cc(Br)ccc2[O-])CN1C1CC1 ZINC000846757015 1280454576 /nfs/dbraw/zinc/45/45/76/1280454576.db2.gz QXZOOJIXPUNNDQ-VOMFFSSUSA-N -1 3 339.189 2.557 10 30 EFEEHM COC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846927186 1280621918 /nfs/dbraw/zinc/62/19/18/1280621918.db2.gz QZPKCYLIDIOAMN-HNNXBMFYSA-N -1 3 326.343 2.610 10 30 EFEEHM COc1cccc2c(C(=O)OCc3ccc(C#N)c(F)c3)n[n-]c21 ZINC000808676011 1281858698 /nfs/dbraw/zinc/85/86/98/1281858698.db2.gz ADSGPXKZVWLTAN-UHFFFAOYSA-N -1 3 325.299 2.939 10 30 EFEEHM COc1cccc2c(C(=O)OCc3ccc(C#N)c(F)c3)[n-]nc21 ZINC000808676011 1281858701 /nfs/dbraw/zinc/85/87/01/1281858701.db2.gz ADSGPXKZVWLTAN-UHFFFAOYSA-N -1 3 325.299 2.939 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)CCCCC1 ZINC000872492338 1287619721 /nfs/dbraw/zinc/61/97/21/1287619721.db2.gz DNVLGIUJGBUSNA-FQEVSTJZSA-N -1 3 336.523 2.996 10 30 EFEEHM Cc1ccccc1Cc1nc(COC(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000811185897 1284093439 /nfs/dbraw/zinc/09/34/39/1284093439.db2.gz WTOTZCDQPMNZDG-UHFFFAOYSA-N -1 3 349.346 2.903 10 30 EFEEHM CC(C)(C)OC(=O)N1CCC(OC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000811188249 1284099351 /nfs/dbraw/zinc/09/93/51/1284099351.db2.gz XLUDMAUFQJVDDQ-UHFFFAOYSA-N -1 3 346.383 2.820 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2c(F)ccc(Br)c2F)nn1 ZINC001134628160 1286986303 /nfs/dbraw/zinc/98/63/03/1286986303.db2.gz IYTFVKDKJWPZTL-UHFFFAOYSA-N -1 3 343.131 2.757 10 30 EFEEHM Cc1sc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1-c1ccc(F)cc1 ZINC000816694806 1288248000 /nfs/dbraw/zinc/24/80/00/1288248000.db2.gz OERFZEVZXSTCSC-CYBMUJFWSA-N -1 3 334.372 2.583 10 30 EFEEHM CCCCCCN([O-])C(=O)CCn1cnc2c(C)cccc2c1=O ZINC001184305980 1290444780 /nfs/dbraw/zinc/44/47/80/1290444780.db2.gz ZBUIJHAGQVVQGJ-UHFFFAOYSA-N -1 3 331.416 2.893 10 30 EFEEHM C#CC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCCC1 ZINC000883531889 1293625223 /nfs/dbraw/zinc/62/52/23/1293625223.db2.gz CGGGHYHJUVAKHN-UHFFFAOYSA-N -1 3 337.217 2.900 10 30 EFEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(C2CCCCC2)[nH]n1 ZINC000137225457 1294719875 /nfs/dbraw/zinc/71/98/75/1294719875.db2.gz PQSORXODZXKFKR-ZDUSSCGKSA-N -1 3 337.383 2.814 10 30 EFEEHM COc1cc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1F ZINC001278131240 1313689883 /nfs/dbraw/zinc/68/98/83/1313689883.db2.gz XXHCSMNNXNCBSQ-UHFFFAOYSA-N -1 3 344.342 2.962 10 30 EFEEHM C=CCCO[N-]C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000856030942 1301211220 /nfs/dbraw/zinc/21/12/20/1301211220.db2.gz XVPMYIHKYHUTRQ-LBPRGKRZSA-N -1 3 343.349 2.941 10 30 EFEEHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@@H](C)N1CC#N ZINC001331583802 1330856391 /nfs/dbraw/zinc/85/63/91/1330856391.db2.gz NPQKLIJNVFLDSV-VXGBXAGGSA-N -1 3 338.249 2.573 10 30 EFEEHM COC(=O)[C@@H]1C[C@H]1c1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1 ZINC000864346776 1302893824 /nfs/dbraw/zinc/89/38/24/1302893824.db2.gz DLDQJFYPGQIOIA-JKSUJKDBSA-N -1 3 340.379 2.615 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1[O-] ZINC000864346343 1302894455 /nfs/dbraw/zinc/89/44/55/1302894455.db2.gz UEHJUCWUZYXJJZ-FOKQGDSLSA-N -1 3 328.799 2.999 10 30 EFEEHM Cc1ncc(CO)c(C=Nc2ccc3c(c2)[C@@H](C)CC(=O)N3C)c1[O-] ZINC000864346431 1302894601 /nfs/dbraw/zinc/89/46/01/1302894601.db2.gz WLXFWHARXBEUBE-NSHDSACASA-N -1 3 339.395 2.809 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)c1[O-] ZINC000864346345 1302894689 /nfs/dbraw/zinc/89/46/89/1302894689.db2.gz UEHJUCWUZYXJJZ-SFLBWWEGSA-N -1 3 328.799 2.999 10 30 EFEEHM [O-]c1ccc(Cl)cc1/C=N/C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000864345928 1302894722 /nfs/dbraw/zinc/89/47/22/1302894722.db2.gz KCSLLEDNGCQDSE-GVLJNOETSA-N -1 3 345.830 2.761 10 30 EFEEHM C[C@H](NCc1ccc(S(C)(=O)=O)s1)c1cccc(C#N)c1[O-] ZINC000866349185 1303613619 /nfs/dbraw/zinc/61/36/19/1303613619.db2.gz YZWWTOCSLPSQQU-JTQLQIEISA-N -1 3 336.438 2.580 10 30 EFEEHM Cc1cc(CN[C@H](C)c2cccc(C#N)c2[O-])nc(N2CCCC2)n1 ZINC000866364335 1303615428 /nfs/dbraw/zinc/61/54/28/1303615428.db2.gz MQRCBZGOKMIPOO-CQSZACIVSA-N -1 3 337.427 2.813 10 30 EFEEHM C[C@H](NCc1c(Br)cnn1C)c1cccc(C#N)c1[O-] ZINC000866431927 1303637728 /nfs/dbraw/zinc/63/77/28/1303637728.db2.gz GMCWNVWUIHDLAB-VIFPVBQESA-N -1 3 335.205 2.611 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867485623 1303830505 /nfs/dbraw/zinc/83/05/05/1303830505.db2.gz VWCAIGOVXFKZJY-HXUWFJFHSA-N -1 3 330.475 2.724 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867536457 1303850082 /nfs/dbraw/zinc/85/00/82/1303850082.db2.gz SNXRUHCBPMDZOA-HXUWFJFHSA-N -1 3 330.475 2.723 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)OC ZINC000867625214 1303882029 /nfs/dbraw/zinc/88/20/29/1303882029.db2.gz VGIIZWDVTCVCDY-CKXPSTMWSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)OC ZINC000867624826 1303882082 /nfs/dbraw/zinc/88/20/82/1303882082.db2.gz RYMVTPKXKQELBT-DANTVBBOSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1)C(=O)OC ZINC000867625216 1303882154 /nfs/dbraw/zinc/88/21/54/1303882154.db2.gz VGIIZWDVTCVCDY-MYSGNRETSA-N -1 3 343.832 2.738 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867848901 1303985688 /nfs/dbraw/zinc/98/56/88/1303985688.db2.gz RAMPFJZQCCUERZ-RKDXNWHRSA-N -1 3 336.360 2.795 10 30 EFEEHM N#Cc1cc(F)cc(S(=O)(=O)[N-][C@@H]2CC=CC[C@H]2C(F)(F)F)c1 ZINC000867848233 1303986039 /nfs/dbraw/zinc/98/60/39/1303986039.db2.gz BLWVPOUFKRGSJE-CHWSQXEVSA-N -1 3 348.321 2.873 10 30 EFEEHM CO[C@H](C/N=C/c1cc(Br)ccc1[O-])[C@@H]1CCOC1 ZINC000849169596 1335563297 /nfs/dbraw/zinc/56/32/97/1335563297.db2.gz DXGQGTSLPIKQQH-NFHZFKPCSA-N -1 3 328.206 2.625 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCCS1 ZINC000871026937 1305752463 /nfs/dbraw/zinc/75/24/63/1305752463.db2.gz SUKVAFIGHYKOOF-CYBMUJFWSA-N -1 3 333.457 2.610 10 30 EFEEHM O=C([C@H]1CCNC(=O)CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096128 1307655455 /nfs/dbraw/zinc/65/54/55/1307655455.db2.gz SUPWAILZZJVNTH-SNVBAGLBSA-N -1 3 331.199 2.628 10 30 EFEEHM C[C@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900404958 1308131904 /nfs/dbraw/zinc/13/19/04/1308131904.db2.gz BUSXTBLEFSPMMN-SECBINFHSA-N -1 3 336.260 2.734 10 30 EFEEHM C=CCCC[C@@H](C(=O)Nc1n[n-]c(CC(=O)OC)n1)c1ccccc1 ZINC000900739008 1308611711 /nfs/dbraw/zinc/61/17/11/1308611711.db2.gz LIVQGFGLSHGKJY-CQSZACIVSA-N -1 3 342.399 2.599 10 30 EFEEHM Cc1cn(CC(=O)N([O-])Cc2ccc(F)cc2)nc1C(F)(F)F ZINC000901373381 1310258473 /nfs/dbraw/zinc/25/84/73/1310258473.db2.gz YBLSTEHOYCJXDH-UHFFFAOYSA-N -1 3 331.269 2.767 10 30 EFEEHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc(F)c(C#N)c2)O1 ZINC000901629108 1310782214 /nfs/dbraw/zinc/78/22/14/1310782214.db2.gz VUATYUXDFATKBC-CYBMUJFWSA-N -1 3 326.393 2.787 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1[O-] ZINC000752152238 1311148180 /nfs/dbraw/zinc/14/81/80/1311148180.db2.gz FPNAJSAIMQUPOH-PLHHHXNXSA-N -1 3 326.396 2.960 10 30 EFEEHM C=C(C)[C@H](CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)OCC ZINC001158784511 1311387735 /nfs/dbraw/zinc/38/77/35/1311387735.db2.gz SCINTPHKZVHJKG-KKUMJFAQSA-N -1 3 333.432 2.696 10 30 EFEEHM O=C(c1cccc(-n2cccn2)n1)N([O-])Cc1ccccc1Cl ZINC001161807495 1311978269 /nfs/dbraw/zinc/97/82/69/1311978269.db2.gz JESJYOXVEMUXCW-UHFFFAOYSA-N -1 3 328.759 2.952 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1 ZINC001161826853 1311983293 /nfs/dbraw/zinc/98/32/93/1311983293.db2.gz NHJQNEKKHQMIOC-DOTOQJQBSA-N -1 3 333.432 2.789 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)OC)s2)CC1 ZINC001213652164 1314587086 /nfs/dbraw/zinc/58/70/86/1314587086.db2.gz PZDNCSPOUXBPIF-UHFFFAOYSA-N -1 3 329.443 2.559 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OC ZINC001213735060 1314596031 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ZINC001296479260 1322928263 /nfs/dbraw/zinc/92/82/63/1322928263.db2.gz MHCMSKLEQDLVAX-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001296835451 1323023775 /nfs/dbraw/zinc/02/37/75/1323023775.db2.gz UIBKGYAXWJKMLB-HNNXBMFYSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)c1 ZINC001297334580 1323174030 /nfs/dbraw/zinc/17/40/30/1323174030.db2.gz HXAPQCXJUGGRHJ-KRWDZBQOSA-N -1 3 347.374 2.806 10 30 EFEEHM C=CCCC(=O)NCc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001297641078 1323306084 /nfs/dbraw/zinc/30/60/84/1323306084.db2.gz UIHWHKLAWWFGDJ-UHFFFAOYSA-N -1 3 338.407 2.905 10 30 EFEEHM CC(C)C[C@H](CNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001297824035 1323350530 /nfs/dbraw/zinc/35/05/30/1323350530.db2.gz VGDCFSRXCYMEBQ-OAHLLOKOSA-N -1 3 344.455 2.702 10 30 EFEEHM C=CCCC1(C(=O)N(C)CCN(C)C(=O)c2ccccc2[O-])CC1 ZINC001298037883 1323415602 /nfs/dbraw/zinc/41/56/02/1323415602.db2.gz OFEKVZSRUNDSMM-UHFFFAOYSA-N -1 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KUBOUEIWDONBCT-LLVKDONJSA-N -1 3 333.827 2.695 10 30 EFEEHM C#CC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001339380721 1331853553 /nfs/dbraw/zinc/85/35/53/1331853553.db2.gz FAVODLOYVHJRKV-UHFFFAOYSA-N -1 3 339.424 2.647 10 30 EFEEHM C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001339785474 1331958487 /nfs/dbraw/zinc/95/84/87/1331958487.db2.gz UYNCOSMIXKCKGQ-LSDHHAIUSA-N -1 3 330.428 2.599 10 30 EFEEHM C#C[C@H]1CCCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340208727 1332154037 /nfs/dbraw/zinc/15/40/37/1332154037.db2.gz HMRLXBJKOSJQQB-NSHDSACASA-N -1 3 339.424 2.790 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001340840209 1332212090 /nfs/dbraw/zinc/21/20/90/1332212090.db2.gz QXERDWSTYWVLSM-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001341147965 1332238173 /nfs/dbraw/zinc/23/81/73/1332238173.db2.gz ZEXINXDZCNFRCM-HLLBOEOZSA-N -1 3 342.439 2.667 10 30 EFEEHM C#C[C@@H]1CCCCN1c1nnc(-c2c[n-]oc2=O)n1Cc1ccccc1 ZINC001343728424 1332373585 /nfs/dbraw/zinc/37/35/85/1332373585.db2.gz UGPDVFNFJVQVHH-OAHLLOKOSA-N -1 3 349.394 2.679 10 30 EFEEHM C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001346853205 1332697074 /nfs/dbraw/zinc/69/70/74/1332697074.db2.gz HZVXMDPDPQDSTH-KBMXLJTQSA-N -1 3 328.412 2.610 10 30 EFEEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC001347806106 1332775016 /nfs/dbraw/zinc/77/50/16/1332775016.db2.gz SKMLCGYSWMVVRZ-KRWDZBQOSA-N -1 3 338.411 2.975 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001350688676 1333115257 /nfs/dbraw/zinc/11/52/57/1333115257.db2.gz MSADMBPFOKZHEQ-MRXNPFEDSA-N -1 3 342.439 2.834 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001350764197 1333128965 /nfs/dbraw/zinc/12/89/65/1333128965.db2.gz GBMVYYUVFROZFX-CABCVRRESA-N -1 3 330.428 2.525 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001350764198 1333129085 /nfs/dbraw/zinc/12/90/85/1333129085.db2.gz GBMVYYUVFROZFX-GJZGRUSLSA-N -1 3 330.428 2.525 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N(CC)CCCNC(=O)c1ccccc1[O-] ZINC001352047833 1333365891 /nfs/dbraw/zinc/36/58/91/1333365891.db2.gz IZRHVKQXCLRFMZ-CABCVRRESA-N -1 3 332.444 2.819 10 30 EFEEHM C=CCCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000847413514 1333678443 /nfs/dbraw/zinc/67/84/43/1333678443.db2.gz RZIQHHXYFQZYNG-UHFFFAOYSA-N -1 3 349.397 2.833 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001353275558 1334060009 /nfs/dbraw/zinc/06/00/09/1334060009.db2.gz WSHSJKOMSTWBGE-HRCADAONSA-N -1 3 342.439 2.810 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001355977190 1334923188 /nfs/dbraw/zinc/92/31/88/1334923188.db2.gz PWCBAWSXAWNLBE-WDEREUQCSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001355977190 1334923197 /nfs/dbraw/zinc/92/31/97/1334923197.db2.gz PWCBAWSXAWNLBE-WDEREUQCSA-N -1 3 335.843 2.918 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001356007258 1334929999 /nfs/dbraw/zinc/92/99/99/1334929999.db2.gz GZKPDNWFYFHQHN-CYBMUJFWSA-N -1 3 329.404 2.841 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001356153228 1334975374 /nfs/dbraw/zinc/97/53/74/1334975374.db2.gz XCYBMXKHKZPOSC-SNVBAGLBSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C(C)(C)C)C1 ZINC001356153228 1334975377 /nfs/dbraw/zinc/97/53/77/1334975377.db2.gz XCYBMXKHKZPOSC-SNVBAGLBSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001356153227 1334975709 /nfs/dbraw/zinc/97/57/09/1334975709.db2.gz XCYBMXKHKZPOSC-JTQLQIEISA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C(C)(C)C)C1 ZINC001356153227 1334975712 /nfs/dbraw/zinc/97/57/12/1334975712.db2.gz XCYBMXKHKZPOSC-JTQLQIEISA-N -1 3 335.843 2.775 10 30 EFEEHM C#CCCCCC(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001356948828 1335212122 /nfs/dbraw/zinc/21/21/22/1335212122.db2.gz PXDMTABRFTVPSI-HXUWFJFHSA-N -1 3 342.439 2.601 10 30 EFEEHM CO[C@H](C/N=C/c1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000849169595 1335563286 /nfs/dbraw/zinc/56/32/86/1335563286.db2.gz DXGQGTSLPIKQQH-HKCYIBJPSA-N -1 3 328.206 2.625 10 30 EFEEHM CCCCc1nc(NC(=O)c2coc(C#N)c2)c(C(=O)OCC)[n-]1 ZINC001361506678 1336131969 /nfs/dbraw/zinc/13/19/69/1336131969.db2.gz ZPSGQMVVALJXHY-UHFFFAOYSA-N -1 3 330.344 2.646 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@](C)(=O)C(C)(C)C ZINC001361767664 1336323216 /nfs/dbraw/zinc/32/32/16/1336323216.db2.gz UPVUEDIKVCFBJR-HSZRJFAPSA-N -1 3 337.445 2.631 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@H](C3CCC3)CC1)cc2=O ZINC001363825768 1337069533 /nfs/dbraw/zinc/06/95/33/1337069533.db2.gz OSGGBUWCLNLTIN-AWEZNQCLSA-N -1 3 325.416 2.709 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001380408631 1347652364 /nfs/dbraw/zinc/65/23/64/1347652364.db2.gz ZYYBGNOLOWSUEW-QWRGUYRKSA-N -1 3 338.835 2.794 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H](C)CCNC(=O)c1ccccc1[O-] ZINC001397752764 1360108465 /nfs/dbraw/zinc/10/84/65/1360108465.db2.gz OMOHKVWHAZCFOR-LLVKDONJSA-N -1 3 338.835 2.796 10 30 EFEEHM Cc1ccc(CN2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)cc1C#N ZINC001434478094 1387167715 /nfs/dbraw/zinc/16/77/15/1387167715.db2.gz LXRAWFWXMJYRLW-WFASDCNBSA-N -1 3 339.361 2.898 10 30 EFEEHM COC(=O)c1coc(C(=O)[N-]c2nc3c(cc2C#N)C[C@H](C)CC3)c1 ZINC001440103328 1389388368 /nfs/dbraw/zinc/38/83/68/1389388368.db2.gz QICKJMQCUSKXON-SNVBAGLBSA-N -1 3 339.351 2.710 10 30 EFEEHM C=C[C@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001440969466 1390059382 /nfs/dbraw/zinc/05/93/82/1390059382.db2.gz RMQCZPALNNQEJX-AWEZNQCLSA-N -1 3 330.409 2.966 10 30 EFEEHM Cc1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc(C)c1C#N ZINC001456396012 1394682393 /nfs/dbraw/zinc/68/23/93/1394682393.db2.gz LGQWYCIGCJCKMV-SECBINFHSA-N -1 3 337.305 2.803 10 30 EFEEHM COC(=O)c1cc(NC(=O)c2cccc(CC#N)c2)c([O-])c(OC)c1 ZINC001456750071 1394788982 /nfs/dbraw/zinc/78/89/82/1394788982.db2.gz WHRJWDUGSJNBGX-UHFFFAOYSA-N -1 3 340.335 2.506 10 30 EFEEHM Cn1cc(Br)c(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC001457994057 1395393856 /nfs/dbraw/zinc/39/38/56/1395393856.db2.gz OZFHTGPMMVXEKF-UHFFFAOYSA-N -1 3 344.596 2.868 10 30 EFEEHM CC(=O)Nc1nc(C(=O)N([O-])CCCCc2ccccc2)cs1 ZINC001457991181 1395393978 /nfs/dbraw/zinc/39/39/78/1395393978.db2.gz BJJGEZDNFDNMNT-UHFFFAOYSA-N -1 3 333.413 2.956 10 30 EFEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(CCN(C)C)CC1CCCCC1 ZINC001464479326 1396580644 /nfs/dbraw/zinc/58/06/44/1396580644.db2.gz VEKYGXWKAXSINL-UHFFFAOYSA-N -1 3 344.459 2.551 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC001466354670 1396750395 /nfs/dbraw/zinc/75/03/95/1396750395.db2.gz RMCVIEKQALMJKK-OAHLLOKOSA-N -1 3 334.297 2.639 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCC2CCC(C#N)CC2)c1 ZINC001467462982 1396858756 /nfs/dbraw/zinc/85/87/56/1396858756.db2.gz CBJCGVWXLHWVTC-UHFFFAOYSA-N -1 3 327.384 2.576 10 30 EFEEHM C=C(CC)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001469005579 1396997807 /nfs/dbraw/zinc/99/78/07/1396997807.db2.gz ZRRQODLKWLNOPV-UHFFFAOYSA-N -1 3 335.201 2.987 10 30 EFEEHM C=C(C)CO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001469741450 1397052767 /nfs/dbraw/zinc/05/27/67/1397052767.db2.gz LUFDXHWBRFMLRQ-UHFFFAOYSA-N -1 3 333.113 2.734 10 30 EFEEHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OC ZINC001471893635 1397220191 /nfs/dbraw/zinc/22/01/91/1397220191.db2.gz MUZIJMXVUKLGFX-CYBMUJFWSA-N -1 3 329.318 2.932 10 30 EFEEHM C=CCn1c(=O)[nH]nc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001473004448 1397277352 /nfs/dbraw/zinc/27/73/52/1397277352.db2.gz APBBANHQTPHOKJ-UHFFFAOYSA-N -1 3 341.396 2.625 10 30 EFEEHM C#CCOc1ccc(CNCc2ncc(Br)cc2[O-])cc1 ZINC001474535500 1397372086 /nfs/dbraw/zinc/37/20/86/1397372086.db2.gz XDXJAOUINHEPTJ-UHFFFAOYSA-N -1 3 347.212 2.852 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001493483239 1398728982 /nfs/dbraw/zinc/72/89/82/1398728982.db2.gz KYPGBZGSYJDHQU-BBRMVZONSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCN[C@H](CNC(=O)c1ncccc1[O-])c1ccc(C(C)C)cc1 ZINC001493877821 1398946198 /nfs/dbraw/zinc/94/61/98/1398946198.db2.gz CQWQTKYLAKZOOY-QGZVFWFLSA-N -1 3 337.423 2.605 10 30 EFEEHM C#CCN[C@@H](CNC(=O)c1ncccc1[O-])c1ccc(C(C)C)cc1 ZINC001493877820 1398946216 /nfs/dbraw/zinc/94/62/16/1398946216.db2.gz CQWQTKYLAKZOOY-KRWDZBQOSA-N -1 3 337.423 2.605 10 30 EFEEHM C=CCCC(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495757317 1400235214 /nfs/dbraw/zinc/23/52/14/1400235214.db2.gz SFIRGXWEWKMSFA-HNNXBMFYSA-N -1 3 330.428 2.859 10 30 EFEEHM C#CCCCCC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001497887035 1401717511 /nfs/dbraw/zinc/71/75/11/1401717511.db2.gz KKBFIWUQKFLFHZ-MRXNPFEDSA-N -1 3 342.439 2.506 10 30 EFEEHM C#CCCCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001498014312 1401811545 /nfs/dbraw/zinc/81/15/45/1401811545.db2.gz JXVZXKAERXVTTQ-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001500835253 1403340042 /nfs/dbraw/zinc/34/00/42/1403340042.db2.gz CPOPXZCVZFRABH-OAHLLOKOSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C1CCC(C(=O)NC[C@@H](C)N(C)C(=O)c2ccccc2[O-])CC1 ZINC001726014943 1426031003 /nfs/dbraw/zinc/03/10/03/1426031003.db2.gz OZGNRARYICDQDD-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C1CC(C)(C(=O)NCCC[C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509970322 1408190436 /nfs/dbraw/zinc/19/04/36/1408190436.db2.gz ZIBPRUJXVHTVQC-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@H](C2CC2)N(C)C(=O)c2ccccc2[O-])C1 ZINC001510325699 1412623216 /nfs/dbraw/zinc/62/32/16/1412623216.db2.gz JHAKJILLPAQESN-MRXNPFEDSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001512636570 1413509179 /nfs/dbraw/zinc/50/91/79/1413509179.db2.gz CPWHGLOXXDROKV-UHFFFAOYSA-N -1 3 330.428 2.621 10 30 EFEEHM CO[C@H](C(=O)OC(C)(C)C)C(=O)N([O-])CCCCc1ccccc1 ZINC001559033850 1415219645 /nfs/dbraw/zinc/21/96/45/1415219645.db2.gz BLDGQRDKNTVIQM-HNNXBMFYSA-N -1 3 337.416 2.584 10 30 EFEEHM CN1CCCC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1=O ZINC001559030962 1415220132 /nfs/dbraw/zinc/22/01/32/1415220132.db2.gz NDAZYFUKSXGDIQ-ZDUSSCGKSA-N -1 3 345.226 2.970 10 30 EFEEHM C=CCNC(=O)c1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001562235578 1415336886 /nfs/dbraw/zinc/33/68/86/1415336886.db2.gz JVELJSWMSJZDQW-UHFFFAOYSA-N -1 3 343.358 2.769 10 30 EFEEHM CC(C)(C)C#CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001688791658 1417001493 /nfs/dbraw/zinc/00/14/93/1417001493.db2.gz QJIKKHCXEPQGTD-UHFFFAOYSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001688802996 1417002435 /nfs/dbraw/zinc/00/24/35/1417002435.db2.gz DBFBGRIHRSXMEH-LJQANCHMSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001704455179 1417945731 /nfs/dbraw/zinc/94/57/31/1417945731.db2.gz CYDYLNABEQBNOJ-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704472067 1417954099 /nfs/dbraw/zinc/95/40/99/1417954099.db2.gz PDTURIVMLHDIDD-AWEZNQCLSA-N -1 3 330.428 2.525 10 30 EFEEHM CN(CC#Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001713387595 1418501891 /nfs/dbraw/zinc/50/18/91/1418501891.db2.gz HWAQZHBHQVCTRH-IBGZPJMESA-N -1 3 348.446 2.980 10 30 EFEEHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC000161838548 1418584159 /nfs/dbraw/zinc/58/41/59/1418584159.db2.gz VXZUKTHCCIOBSE-UHFFFAOYSA-N -1 3 347.209 2.703 10 30 EFEEHM C=CCCC1(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001719372850 1422686853 /nfs/dbraw/zinc/68/68/53/1422686853.db2.gz LBMSCJHVPZSCTO-OAHLLOKOSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCCC(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001720414280 1422922977 /nfs/dbraw/zinc/92/29/77/1422922977.db2.gz SCAREKFBLSIZRR-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720945762 1423319984 /nfs/dbraw/zinc/31/99/84/1423319984.db2.gz DAXFLPPIUYHLTL-LSDHHAIUSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)CCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720990942 1423366910 /nfs/dbraw/zinc/36/69/10/1423366910.db2.gz DCAYWZYWBGEFOQ-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001721657652 1423907949 /nfs/dbraw/zinc/90/79/49/1423907949.db2.gz ZWNOCKXHQFSMQT-GOEBONIOSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C[C@H](C(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001721942014 1424079950 /nfs/dbraw/zinc/07/99/50/1424079950.db2.gz KQZZIXPQMJPWMQ-HOCLYGCPSA-N -1 3 338.407 2.597 10 30 EFEEHM C=CC[C@H]1CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000890556776 713006526 /nfs/dbraw/zinc/00/65/26/713006526.db2.gz NQXSMSIMZQLISX-ZDUSSCGKSA-N -1 3 341.367 2.732 10 30 EFEEHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nnc2n1CCCCC2 ZINC000255057712 713442730 /nfs/dbraw/zinc/44/27/30/713442730.db2.gz WNPLPTNWAFPUKB-SZZPACECSA-N -1 3 341.802 2.943 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)[C@H]1CCCCO1 ZINC000893498456 716104818 /nfs/dbraw/zinc/10/48/18/716104818.db2.gz MSPIGMUMHKGXFC-SJKOYZFVSA-N -1 3 346.427 2.957 10 30 EFEEHM Cc1ncc(CO)c(C=NN2CC(c3ccccc3)=NC2=S)c1[O-] ZINC000254497124 720992115 /nfs/dbraw/zinc/99/21/15/720992115.db2.gz JALYOWWVZWCOQA-UHFFFAOYSA-N -1 3 340.408 2.622 10 30 EFEEHM C#CCC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000925422582 726898119 /nfs/dbraw/zinc/89/81/19/726898119.db2.gz KUAYMFNHPQUVEI-UHFFFAOYSA-N -1 3 327.302 2.713 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908751966 727256593 /nfs/dbraw/zinc/25/65/93/727256593.db2.gz IBJJVNWAVROLNN-IAGOWNOFSA-N -1 3 347.459 2.570 10 30 EFEEHM C=CCCC[C@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908860215 727277139 /nfs/dbraw/zinc/27/71/39/727277139.db2.gz YMHRXWXEGMATFF-DLBZAZTESA-N -1 3 347.459 2.706 10 30 EFEEHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@@H](C)N1CC#N ZINC000911709097 727585854 /nfs/dbraw/zinc/58/58/54/727585854.db2.gz GSHHRTOVFRMYOP-VXGBXAGGSA-N -1 3 329.425 2.665 10 30 EFEEHM O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854175 727612323 /nfs/dbraw/zinc/61/23/23/727612323.db2.gz ILKAIGCMTAPYFB-LBPRGKRZSA-N -1 3 349.312 2.502 10 30 EFEEHM C#C[C@@H]1CCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912046472 727645908 /nfs/dbraw/zinc/64/59/08/727645908.db2.gz GVKMTGTXKMMGCQ-LLVKDONJSA-N -1 3 335.429 2.976 10 30 EFEEHM COc1cc(C(=O)/C=C\c2c(Br)cnn2C)ccc1[O-] ZINC000033797185 729060037 /nfs/dbraw/zinc/06/00/37/729060037.db2.gz ZXCZOZZXSXKXJJ-XQRVVYSFSA-N -1 3 337.173 2.793 10 30 EFEEHM Cn1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1=O ZINC000901378580 729181443 /nfs/dbraw/zinc/18/14/43/729181443.db2.gz MULMTJUXHUJZRJ-UHFFFAOYSA-N -1 3 327.167 2.724 10 30 EFEEHM CC(=O)Nc1cc(N=Cc2c([O-])c(C)ncc2CO)c(F)cc1F ZINC000921138304 729264423 /nfs/dbraw/zinc/26/44/23/729264423.db2.gz DFJKHRWWZVDNGH-UHFFFAOYSA-N -1 3 335.310 2.575 10 30 EFEEHM C=CCCCCCN1CC(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001569502515 1085308227 /nfs/dbraw/zinc/30/82/27/1085308227.db2.gz HKAJEIVYGHEMOK-UHFFFAOYSA-N -1 3 344.459 2.562 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001572025685 1087262832 /nfs/dbraw/zinc/26/28/32/1087262832.db2.gz MDAVNJGHFXLJRY-HRCADAONSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CCCCC(=O)N1CC2(C1)CCCN(C(=O)c1ccccc1[O-])C2 ZINC001572041016 1087277035 /nfs/dbraw/zinc/27/70/35/1087277035.db2.gz BHAUOQIECDAMTP-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001572620538 1087567731 /nfs/dbraw/zinc/56/77/31/1087567731.db2.gz GODUOOLUONGDNF-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001573095605 1087674759 /nfs/dbraw/zinc/67/47/59/1087674759.db2.gz CZGZPXKUALGJRY-MRXNPFEDSA-N -1 3 342.439 2.834 10 30 EFEEHM CC(C)(C#N)CCOC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001646883254 1088458115 /nfs/dbraw/zinc/45/81/15/1088458115.db2.gz BVTIZABIRVUGMO-UHFFFAOYSA-N -1 3 344.820 2.808 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001576401008 1089193311 /nfs/dbraw/zinc/19/33/11/1089193311.db2.gz KYXXQRRGWKFEDY-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM CC#CCCCC(=O)NCCCN(CC)C(=O)c1ccccc1[O-] ZINC001577634676 1090094105 /nfs/dbraw/zinc/09/41/05/1090094105.db2.gz NLZFJTYCVLYMRI-UHFFFAOYSA-N -1 3 330.428 2.554 10 30 EFEEHM C#CCCCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001578910269 1090472245 /nfs/dbraw/zinc/47/22/45/1090472245.db2.gz DGKZYVGVYAAJDN-INIZCTEOSA-N -1 3 342.439 2.554 10 30 EFEEHM CC(C)C[C@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001582858256 1091717629 /nfs/dbraw/zinc/71/76/29/1091717629.db2.gz JRUFNWSNXYCQTR-OAHLLOKOSA-N -1 3 344.455 2.702 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001582958843 1091827525 /nfs/dbraw/zinc/82/75/25/1091827525.db2.gz NARJQPIVTXFGMC-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC1(C(=O)NC2(CNC(=O)c3ccccc3[O-])CC2)CCCC1 ZINC001584877906 1092315776 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N#Cc1ccc(CCC(=O)OCc2noc(-c3ccccc3[O-])n2)cc1 ZINC000782601054 1094775819 /nfs/dbraw/zinc/77/58/19/1094775819.db2.gz MMBMRGWPDZDPIJ-UHFFFAOYSA-N -1 3 349.346 2.990 10 30 EFEEHM N#CCc1ccccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000782606345 1094819719 /nfs/dbraw/zinc/81/97/19/1094819719.db2.gz XGHUHOYQKRMPFW-UHFFFAOYSA-N -1 3 335.319 2.865 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C#Cc3ccccc3)nc21 ZINC001606622455 1097430958 /nfs/dbraw/zinc/43/09/58/1097430958.db2.gz WCXXHUXTFRCTKT-UHFFFAOYSA-N -1 3 333.347 2.730 10 30 EFEEHM NC(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001611642571 1099025912 /nfs/dbraw/zinc/02/59/12/1099025912.db2.gz WBXQOETVTUJTIQ-UHFFFAOYSA-N -1 3 340.166 2.519 10 30 EFEEHM CC(C)(CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CC1 ZINC001611648904 1099026890 /nfs/dbraw/zinc/02/68/90/1099026890.db2.gz NKGGCXTZJOOUBW-UHFFFAOYSA-N -1 3 344.411 2.717 10 30 EFEEHM O=C([C@@H]1C[C@@]12C(=O)Nc1ccccc12)N([O-])Cc1ccccc1Cl ZINC001611651086 1099027128 /nfs/dbraw/zinc/02/71/28/1099027128.db2.gz YISRYOGREAAZIH-UGSOOPFHSA-N -1 3 342.782 2.968 10 30 EFEEHM C[C@@H]1CCc2nc([N-]C(=O)c3ncoc3-c3ccon3)c(C#N)cc2C1 ZINC001623473726 1099592414 /nfs/dbraw/zinc/59/24/14/1099592414.db2.gz ATRDMCMYUZATIT-SNVBAGLBSA-N -1 3 349.350 2.973 10 30 EFEEHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2C#N)[n-]n1 ZINC001627267000 1099975132 /nfs/dbraw/zinc/97/51/32/1099975132.db2.gz ZHVJTEOOAOLWRD-CMDGGOBGSA-N -1 3 338.367 2.889 10 30 EFEEHM CC(C)(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2C#N)n[n-]1 ZINC001627267000 1099975146 /nfs/dbraw/zinc/97/51/46/1099975146.db2.gz ZHVJTEOOAOLWRD-CMDGGOBGSA-N -1 3 338.367 2.889 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(F)cc2)c1 ZINC001629249916 1100188524 /nfs/dbraw/zinc/18/85/24/1100188524.db2.gz XNUGFJMYZONMCZ-OAHLLOKOSA-N -1 3 339.326 2.650 10 30 EFEEHM CCc1ccc(C#CC(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC001631301132 1100385943 /nfs/dbraw/zinc/38/59/43/1100385943.db2.gz MJAYEDNWHXKNMI-UHFFFAOYSA-N -1 3 347.374 2.902 10 30 EFEEHM COc1ccc(C(=O)CCC(=O)[N-]Oc2cccc(C#N)c2)cc1F ZINC001631982925 1100443942 /nfs/dbraw/zinc/44/39/42/1100443942.db2.gz IILWRODFXXUSMT-UHFFFAOYSA-N -1 3 342.326 2.779 10 30 EFEEHM C=CCN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H](C)COC ZINC001632752496 1100498602 /nfs/dbraw/zinc/49/86/02/1100498602.db2.gz VZUOBZFEVDAIHD-NSHDSACASA-N -1 3 334.803 2.845 10 30 EFEEHM C=CC[C@@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001633694895 1100559438 /nfs/dbraw/zinc/55/94/38/1100559438.db2.gz LRMJMQLDPONDJG-SECBINFHSA-N -1 3 335.201 2.985 10 30 EFEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OCc1cccnc1 ZINC001636677241 1100732564 /nfs/dbraw/zinc/73/25/64/1100732564.db2.gz KUGLHNJBJHCMTA-UHFFFAOYSA-N -1 3 346.184 2.506 10 30 EFEEHM COc1cccc([O-])c1C(=O)N(C)CCOCc1ccc(C#N)cc1 ZINC001636966736 1100747607 /nfs/dbraw/zinc/74/76/07/1100747607.db2.gz BTGPPGSJIJBAOV-UHFFFAOYSA-N -1 3 340.379 2.561 10 30 EFEEHM CCCCN([O-])C(=O)COc1ccc(C#N)c(Br)c1 ZINC001639071854 1100910162 /nfs/dbraw/zinc/91/01/62/1100910162.db2.gz 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ZINC001641861830 1101170489 /nfs/dbraw/zinc/17/04/89/1101170489.db2.gz GWHLHIRAGBITCC-UHFFFAOYSA-N -1 3 340.379 2.835 10 30 EFEEHM CCCCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001641856041 1101170922 /nfs/dbraw/zinc/17/09/22/1101170922.db2.gz YOJVPNIAIGJPDS-UHFFFAOYSA-N -1 3 332.400 2.861 10 30 EFEEHM CCCCCCN([O-])C(=O)c1cnn2cc(Br)cnc12 ZINC001641867714 1101171657 /nfs/dbraw/zinc/17/16/57/1101171657.db2.gz MFVQXKSKSUUBCU-UHFFFAOYSA-N -1 3 341.209 2.904 10 30 EFEEHM CCn1cc([N+](=O)[O-])c(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001641865135 1101172067 /nfs/dbraw/zinc/17/20/67/1101172067.db2.gz TXEWTNIBRGZWKH-UHFFFAOYSA-N -1 3 332.360 2.666 10 30 EFEEHM C#CCOc1ccccc1NC(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC001654500507 1101724750 /nfs/dbraw/zinc/72/47/50/1101724750.db2.gz ZPRNNKABKUTMKP-UHFFFAOYSA-N -1 3 348.358 2.801 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1 ZINC001654821263 1101759730 /nfs/dbraw/zinc/75/97/30/1101759730.db2.gz BXZLJCIDQKFDSW-FUHWJXTLSA-N -1 3 346.427 2.765 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C=CCC(F)(F)C(=O)[N-][C@@H](C(=O)OCC)c1ccc(OC)c(F)c1 ZINC000293516225 475018294 /nfs/dbraw/zinc/01/82/94/475018294.db2.gz OEVNHJWCAADPGW-CYBMUJFWSA-N -1 3 345.317 2.766 10 30 EFEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000286382749 475062942 /nfs/dbraw/zinc/06/29/42/475062942.db2.gz KLSIUIJFCLNGAO-SECBINFHSA-N -1 3 343.754 2.574 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1ccc(Br)cc1 ZINC000294617508 475074797 /nfs/dbraw/zinc/07/47/97/475074797.db2.gz PVVIEMWWTNUDSJ-NSHDSACASA-N -1 3 334.160 2.810 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1C(F)F ZINC000330418875 475240278 /nfs/dbraw/zinc/24/02/78/475240278.db2.gz WVCSUUSSTGGVBG-CQSZACIVSA-N -1 3 337.370 2.855 10 30 EFEEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330415531 475241035 /nfs/dbraw/zinc/24/10/35/475241035.db2.gz CUXSFCUHOXIELC-SNVBAGLBSA-N -1 3 346.435 2.574 10 30 EFEEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[C@@H](C)C2)cn1 ZINC000331008994 475300898 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EFEEHM N#Cc1ccnc([N-]C(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1 ZINC000436003560 477405276 /nfs/dbraw/zinc/40/52/76/477405276.db2.gz AYBYJYFYHANDRK-UHFFFAOYSA-N -1 3 332.319 2.795 10 30 EFEEHM N#C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC000436619179 477535619 /nfs/dbraw/zinc/53/56/19/477535619.db2.gz VSQUFYMRVNZRIO-CYBMUJFWSA-N -1 3 347.168 2.855 10 30 EFEEHM N#CCC1(CS(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)CC1 ZINC000450999283 477788038 /nfs/dbraw/zinc/78/80/38/477788038.db2.gz NASNGBPNULVLOR-INIZCTEOSA-N -1 3 330.409 2.982 10 30 EFEEHM CCC(C)(C)OC1CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000529808964 477835476 /nfs/dbraw/zinc/83/54/76/477835476.db2.gz MVGINYYDWUZJJU-UHFFFAOYSA-N -1 3 345.443 2.624 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000428261509 477856207 /nfs/dbraw/zinc/85/62/07/477856207.db2.gz CULJWJLGNIYDCI-CVEARBPZSA-N -1 3 341.436 2.958 10 30 EFEEHM COCCN(CC#N)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000459536536 477958848 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CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CC1 ZINC000600652697 478456661 /nfs/dbraw/zinc/45/66/61/478456661.db2.gz AXGTZSPDRXFTDP-AWEZNQCLSA-N -1 3 328.821 2.768 10 30 EFEEHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c2c(n1)CCCC2 ZINC000591260889 478501638 /nfs/dbraw/zinc/50/16/38/478501638.db2.gz HWQVVEPLAONEHQ-UHFFFAOYSA-N -1 3 341.436 2.558 10 30 EFEEHM CC(=O)N1CCN(Cc2cccc(-c3ccc(C#N)cc3[O-])c2)CC1 ZINC000600791915 478524153 /nfs/dbraw/zinc/52/41/53/478524153.db2.gz ACQXDDHUOJYTLG-UHFFFAOYSA-N -1 3 335.407 2.595 10 30 EFEEHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594752528 478530702 /nfs/dbraw/zinc/53/07/02/478530702.db2.gz ROESKNXORIRXFM-ZETCQYMHSA-N -1 3 337.626 2.683 10 30 EFEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000594755846 478531925 /nfs/dbraw/zinc/53/19/25/478531925.db2.gz ZMKFIVMLTUNNOD-LBPRGKRZSA-N -1 3 336.438 2.539 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)CCCC1 ZINC000594797666 478544024 /nfs/dbraw/zinc/54/40/24/478544024.db2.gz 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C[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000595406124 478764775 /nfs/dbraw/zinc/76/47/75/478764775.db2.gz IACWFXJCWBGITM-GOEBONIOSA-N -1 3 336.457 2.502 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CCC1 ZINC000592099170 478773999 /nfs/dbraw/zinc/77/39/99/478773999.db2.gz LKLSFLYLYXSKMG-UHFFFAOYSA-N -1 3 347.827 2.964 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000598339650 478775165 /nfs/dbraw/zinc/77/51/65/478775165.db2.gz BKCMZUUOGLEQIH-ZDUSSCGKSA-N -1 3 337.370 2.616 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000528499439 478802737 /nfs/dbraw/zinc/80/27/37/478802737.db2.gz KSCDRSDOKFIYAL-QGZVFWFLSA-N -1 3 345.399 2.912 10 30 EFEEHM Cc1ccc([O-])c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)n1 ZINC000583851528 478955401 /nfs/dbraw/zinc/95/54/01/478955401.db2.gz JEYHVKATTVBMPH-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1[C@H]1CCOC1 ZINC000528913694 478984369 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C=CCCn1cc(CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)nn1 ZINC000655662801 546519445 /nfs/dbraw/zinc/51/94/45/546519445.db2.gz ITYHOGLOOOOLGC-UHFFFAOYSA-N -1 3 342.428 2.807 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000657037003 547012499 /nfs/dbraw/zinc/01/24/99/547012499.db2.gz SAORPWUPWJUOAF-VXGBXAGGSA-N -1 3 343.474 2.515 10 30 EFEEHM C=CCOCCCNCc1ccc(OC)c([O-])c1Br ZINC000657658034 547244652 /nfs/dbraw/zinc/24/46/52/547244652.db2.gz JSBIAIZTYFGWRN-UHFFFAOYSA-N -1 3 330.222 2.846 10 30 EFEEHM C=CCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000671682362 547646813 /nfs/dbraw/zinc/64/68/13/547646813.db2.gz MVAQEVKDKVEIKU-UHFFFAOYSA-N -1 3 343.754 2.840 10 30 EFEEHM C=CCOCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000679473671 549132182 /nfs/dbraw/zinc/13/21/82/549132182.db2.gz BMEJFRJIFJRFGX-UHFFFAOYSA-N -1 3 343.754 2.840 10 30 EFEEHM NC(=O)[C@@H]1CCC[C@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000764414911 576455797 /nfs/dbraw/zinc/45/57/97/576455797.db2.gz VBVIKEGVLDRGSL-ULQYEZCCSA-N -1 3 325.206 2.618 10 30 EFEEHM [O-]c1c(O)ccc(/C=N\[C@H]2CCN(c3c(F)cccc3F)C2)c1O ZINC000755031013 575532362 /nfs/dbraw/zinc/53/23/62/575532362.db2.gz DSFZJZZMRHKWKZ-WTBFLKMWSA-N -1 3 334.322 2.779 10 30 EFEEHM COc1ccc(CNC(=S)NN=Cc2cc(F)ccc2[O-])cc1 ZINC000755526717 575596694 /nfs/dbraw/zinc/59/66/94/575596694.db2.gz PCROLZFWHLXGOR-UHFFFAOYSA-N -1 3 333.388 2.538 10 30 EFEEHM CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])cn1 ZINC000755598125 575605992 /nfs/dbraw/zinc/60/59/92/575605992.db2.gz DJZFWZNZQXSWSD-UHFFFAOYSA-N -1 3 341.396 2.615 10 30 EFEEHM O=S(=O)(c1ccc(NN=Cc2ccc([O-])cn2)cc1)C(F)(F)F ZINC000755646854 575612889 /nfs/dbraw/zinc/61/28/89/575612889.db2.gz YORAGONWEWBXAJ-UHFFFAOYSA-N -1 3 345.302 2.527 10 30 EFEEHM CS(=O)(=O)[N-]c1cccc(C(=O)OCC2CCC(C#N)CC2)c1 ZINC000755964890 575664305 /nfs/dbraw/zinc/66/43/05/575664305.db2.gz CBBMMFCNNJRHDR-UHFFFAOYSA-N -1 3 336.413 2.545 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000758325233 575866734 /nfs/dbraw/zinc/86/67/34/575866734.db2.gz ZHHRFPNBHCURDS-INIZCTEOSA-N -1 3 343.431 2.907 10 30 EFEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000758460535 575870251 /nfs/dbraw/zinc/87/02/51/575870251.db2.gz LRBSPZZLFQYRAI-INIZCTEOSA-N -1 3 331.372 2.522 10 30 EFEEHM CC(C)(C)OC(=O)c1ccc(C=[NH+][N-]c2ncnc3[n-]cnc32)cc1 ZINC000764905329 576520557 /nfs/dbraw/zinc/52/05/57/576520557.db2.gz URXJPJOZUWAUAL-UHFFFAOYSA-N -1 3 338.371 2.754 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000765492217 577046868 /nfs/dbraw/zinc/04/68/68/577046868.db2.gz MIAYNUTZXLLKGR-LLVKDONJSA-N -1 3 329.393 2.635 10 30 EFEEHM COc1cc(C(C)=N[N-]S(=O)(=O)Cc2ccccc2)ccc1F ZINC000765571472 577055291 /nfs/dbraw/zinc/05/52/91/577055291.db2.gz JIZTUMNBEYTELR-UHFFFAOYSA-N -1 3 336.388 2.678 10 30 EFEEHM CCOc1ccc(/C=N/[C@@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000766284428 577130980 /nfs/dbraw/zinc/13/09/80/577130980.db2.gz SAXMRFTUWDSJDL-DDLUMYACSA-N -1 3 342.443 2.921 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@@H](C)C2)ccc1F ZINC000767530144 577211831 /nfs/dbraw/zinc/21/18/31/577211831.db2.gz XONIWZQBHPGVPK-YPMHNXCESA-N -1 3 341.404 2.635 10 30 EFEEHM CC(C)[C@@H](/N=C\c1ccc(O)c([O-])c1O)c1nnc2ccccn21 ZINC000726118819 577351091 /nfs/dbraw/zinc/35/10/91/577351091.db2.gz QYXJZWBFRBJTFC-BBSXFRJVSA-N -1 3 326.356 2.662 10 30 EFEEHM COc1c(O)cccc1/C=C\C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000726427740 577364494 /nfs/dbraw/zinc/36/44/94/577364494.db2.gz VDVIOQFISBOIHJ-FLIBITNWSA-N -1 3 347.392 2.668 10 30 EFEEHM COc1cccc([O-])c1/C=N\C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000726888900 577405014 /nfs/dbraw/zinc/40/50/14/577405014.db2.gz CNTPWJWYCZXISA-JMIUGGIZSA-N -1 3 344.333 2.763 10 30 EFEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000770394308 577415235 /nfs/dbraw/zinc/41/52/35/577415235.db2.gz ZWRMHFXUPSHTOT-SNVBAGLBSA-N -1 3 330.793 2.637 10 30 EFEEHM C=C(Cl)C[N-]S(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000772690230 581355844 /nfs/dbraw/zinc/35/58/44/581355844.db2.gz NZOURQSCRNMAJZ-UHFFFAOYSA-N -1 3 335.812 2.948 10 30 EFEEHM [O-]c1ccc(Cl)cc1/C=N\Cc1cccc(N2CCOCC2)n1 ZINC000773905214 581473046 /nfs/dbraw/zinc/47/30/46/581473046.db2.gz JOKYZAAPRKIEMP-ODLFYWEKSA-N -1 3 331.803 2.896 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)cc1 ZINC000773979322 581476547 /nfs/dbraw/zinc/47/65/47/581476547.db2.gz ZTHQYPGUUUBZOB-HQWZXOHUSA-N -1 3 335.363 2.759 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)cc1 ZINC000773979325 581476564 /nfs/dbraw/zinc/47/65/64/581476564.db2.gz ZTHQYPGUUUBZOB-OCKNTNFFSA-N -1 3 335.363 2.759 10 30 EFEEHM CCc1cccc(CC)c1NC(=O)C(C#N)=C([O-])c1ccnn1CC ZINC000773981522 581476683 /nfs/dbraw/zinc/47/66/83/581476683.db2.gz ZRQHFYSAWJPRNN-HNNXBMFYSA-N -1 3 338.411 2.989 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000774410549 581490965 /nfs/dbraw/zinc/49/09/65/581490965.db2.gz MBNCAKJPKRARQF-UKRRQHHQSA-N -1 3 347.463 2.810 10 30 EFEEHM CCN(CC)C(=O)Nc1ccc(C(C)=NN=c2cc[n-]n2C)cc1 ZINC000774412608 581490995 /nfs/dbraw/zinc/49/09/95/581490995.db2.gz RUBAZTPPJLWCOS-UHFFFAOYSA-N -1 3 328.420 2.552 10 30 EFEEHM Cc1cc(Cl)cc(C=NN2C(=O)NC3(CCCCC3)C2=O)c1[O-] ZINC000774590568 581494880 /nfs/dbraw/zinc/49/48/80/581494880.db2.gz ZMIVRTUZKCEEIZ-UHFFFAOYSA-N -1 3 335.791 2.943 10 30 EFEEHM C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746762837 1248780590 /nfs/dbraw/zinc/78/05/90/1248780590.db2.gz XKZMBIHZQDNTRN-GDBMZVCRSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001745493486 1249780312 /nfs/dbraw/zinc/78/03/12/1249780312.db2.gz XPAQLUPMXACZGE-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746959509 1247961679 /nfs/dbraw/zinc/96/16/79/1247961679.db2.gz PLNHZFVSGKGPOG-GDBMZVCRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCC1(C(=O)N(C)[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001687196418 1248075904 /nfs/dbraw/zinc/07/59/04/1248075904.db2.gz WGDAYSUHRMSRSA-OAHLLOKOSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC1(C(=O)N2CC(NC(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001745818435 1250594163 /nfs/dbraw/zinc/59/41/63/1250594163.db2.gz MCFXYNJVIKFVNO-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM Cc1nc(C)c(CC(=O)OCc2cc(Cl)cc(C#N)c2)c(=O)[n-]1 ZINC000922340532 1265664631 /nfs/dbraw/zinc/66/46/31/1265664631.db2.gz DVGGSWAFJNGAIX-UHFFFAOYSA-N -1 3 331.759 2.610 10 30 EFEEHM Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901773454 1255270864 /nfs/dbraw/zinc/27/08/64/1255270864.db2.gz OTLQMOIKKIFZNQ-SNVBAGLBSA-N -1 3 326.727 2.771 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2cccc(F)c2C(=O)OC)CC1 ZINC000921602113 1257520432 /nfs/dbraw/zinc/52/04/32/1257520432.db2.gz OQUWUPBFZOCZPR-UHFFFAOYSA-N -1 3 341.404 2.637 10 30 EFEEHM CC(=O)Nc1ccc(C(=O)N([O-])CCCCc2ccccc2)nc1 ZINC001649052385 1258022588 /nfs/dbraw/zinc/02/25/88/1258022588.db2.gz WWFWUYWXFIQEOV-UHFFFAOYSA-N -1 3 327.384 2.894 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001649056496 1258057450 /nfs/dbraw/zinc/05/74/50/1258057450.db2.gz BJMCTDFQQZZSGW-LLVKDONJSA-N -1 3 340.807 2.719 10 30 EFEEHM CCCCN([O-])C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001649060765 1258095982 /nfs/dbraw/zinc/09/59/82/1258095982.db2.gz AUMKTHYKYJHTHK-UHFFFAOYSA-N -1 3 331.166 2.918 10 30 EFEEHM CCCCN([O-])C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C ZINC001649061571 1258107197 /nfs/dbraw/zinc/10/71/97/1258107197.db2.gz SAGMAOMZXREMRL-UHFFFAOYSA-N -1 3 340.330 2.809 10 30 EFEEHM CCCCCCN([O-])C(=O)Cc1cc[nH]c(=O)c1Br ZINC001161826651 1266225734 /nfs/dbraw/zinc/22/57/34/1266225734.db2.gz JAOSDLXAGFOLKF-UHFFFAOYSA-N -1 3 331.210 2.890 10 30 EFEEHM C#CCCCCC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001746512148 1262027777 /nfs/dbraw/zinc/02/77/77/1262027777.db2.gz NZIDJXPQAYJQQQ-WKILWMFISA-N -1 3 342.439 2.743 10 30 EFEEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000922032098 1264182119 /nfs/dbraw/zinc/18/21/19/1264182119.db2.gz JMNQHLAFUPVNBP-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000922047967 1264214118 /nfs/dbraw/zinc/21/41/18/1264214118.db2.gz RTXHGGAKBCGUBF-UHFFFAOYSA-N -1 3 346.221 2.813 10 30 EFEEHM C#CCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000733320881 1265168392 /nfs/dbraw/zinc/16/83/92/1265168392.db2.gz HJFARFSFWOKHHQ-UHFFFAOYSA-N -1 3 326.830 2.765 10 30 EFEEHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(=O)c3cnn(C(C)(C)C)c3)nc21 ZINC000735787336 1267424976 /nfs/dbraw/zinc/42/49/76/1267424976.db2.gz BCYJTVVERHNSDM-ZDUSSCGKSA-N -1 3 349.394 2.882 10 30 EFEEHM CC[C@@H](C)n1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1C ZINC000791784178 1278375964 /nfs/dbraw/zinc/37/59/64/1278375964.db2.gz QCZRLCJPODWREM-DGCLKSJQSA-N -1 3 325.372 2.519 10 30 EFEEHM C=CCC[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccccc1 ZINC000866990942 1272797562 /nfs/dbraw/zinc/79/75/62/1272797562.db2.gz DZQGFYYMAJUHIL-XOBRGWDASA-N -1 3 330.475 2.646 10 30 EFEEHM C[C@@H](Oc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1)c1ccccc1 ZINC000820179551 1277061325 /nfs/dbraw/zinc/06/13/25/1277061325.db2.gz MICQWWHJOHDDKZ-CXAGYDPISA-N -1 3 340.379 2.547 10 30 EFEEHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@H](C#N)C(C)C)c1 ZINC000872003146 1287392190 /nfs/dbraw/zinc/39/21/90/1287392190.db2.gz IVNIGIDJINPZIS-CYBMUJFWSA-N -1 3 345.262 2.725 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000804453540 1280216774 /nfs/dbraw/zinc/21/67/74/1280216774.db2.gz ZEQJAENAZSMTSN-INIZCTEOSA-N -1 3 330.387 2.893 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000804457585 1280218467 /nfs/dbraw/zinc/21/84/67/1280218467.db2.gz AJKRCSARPFLYCI-MRXNPFEDSA-N -1 3 336.391 2.715 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000846550011 1280244063 /nfs/dbraw/zinc/24/40/63/1280244063.db2.gz QHPZFKOAYRTCHN-GOEBONIOSA-N -1 3 332.400 2.658 10 30 EFEEHM C=C(C)CO[N-]C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000846531664 1280249597 /nfs/dbraw/zinc/24/95/97/1280249597.db2.gz DPJZLXHKAFCREH-CYBMUJFWSA-N -1 3 342.436 2.763 10 30 EFEEHM C=C(C)CO[N-]C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000846536176 1280250368 /nfs/dbraw/zinc/25/03/68/1280250368.db2.gz WLQMCFQMXGNKBL-MRXNPFEDSA-N -1 3 332.400 2.659 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CC2(F)F)C1 ZINC000846572156 1280270044 /nfs/dbraw/zinc/27/00/44/1280270044.db2.gz VIQRQMYZBQSKDP-KRWDZBQOSA-N -1 3 349.381 2.856 10 30 EFEEHM C#CC[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000888593668 1287422802 /nfs/dbraw/zinc/42/28/02/1287422802.db2.gz GDLDXYPQLMWWGL-LLVKDONJSA-N -1 3 337.217 2.710 10 30 EFEEHM COC[C@@](C)(C#N)[N-]C(=O)C(F)(F)c1ccccc1OC(C)C ZINC000846927187 1280621084 /nfs/dbraw/zinc/62/10/84/1280621084.db2.gz QZPKCYLIDIOAMN-OAHLLOKOSA-N -1 3 326.343 2.610 10 30 EFEEHM CCN(CCC#N)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395194 1284283247 /nfs/dbraw/zinc/28/32/47/1284283247.db2.gz YVWYVRDYVAXLGE-UHFFFAOYSA-N -1 3 339.804 2.802 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000812526411 1285214222 /nfs/dbraw/zinc/21/42/22/1285214222.db2.gz JKPCWZPRJWTHMO-CQSZACIVSA-N -1 3 343.301 2.896 10 30 EFEEHM C#C[C@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ccc(F)cc1 ZINC000812751824 1285400138 /nfs/dbraw/zinc/40/01/38/1285400138.db2.gz KXBUKTSFIXBKTF-AWEZNQCLSA-N -1 3 325.330 2.947 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCC[C@H]1[C@H]1CCOC1 ZINC000814816592 1287047431 /nfs/dbraw/zinc/04/74/31/1287047431.db2.gz QUVYHXYTHZRQFW-HOTGVXAUSA-N -1 3 336.457 2.689 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCC[C@H]1[C@@H]1CCOC1 ZINC000814816591 1287048390 /nfs/dbraw/zinc/04/83/90/1287048390.db2.gz QUVYHXYTHZRQFW-CVEARBPZSA-N -1 3 336.457 2.689 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)c(C#N)cn3)nc21 ZINC001134753384 1287171260 /nfs/dbraw/zinc/17/12/60/1287171260.db2.gz LIENFRGFRWMTAU-UHFFFAOYSA-N -1 3 349.350 2.567 10 30 EFEEHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816694002 1288247958 /nfs/dbraw/zinc/24/79/58/1288247958.db2.gz WTOILUPKUUKENL-GMSGAONNSA-N -1 3 349.239 2.580 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2sc3ccccc3c2s1 ZINC000816695559 1288248119 /nfs/dbraw/zinc/24/81/19/1288248119.db2.gz FQKOTOALMFQFEP-VIFPVBQESA-N -1 3 332.406 2.836 10 30 EFEEHM O=C(CCCn1ccc2cc(Cl)ccc21)N[C@H]1CCCN([O-])C1=O ZINC000816753538 1288263240 /nfs/dbraw/zinc/26/32/40/1288263240.db2.gz KASZUNYLQDAYDS-AWEZNQCLSA-N -1 3 349.818 2.571 10 30 EFEEHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001136730710 1289324274 /nfs/dbraw/zinc/32/42/74/1289324274.db2.gz ZEHFDBIFHWYMLJ-VIFPVBQESA-N -1 3 331.357 2.822 10 30 EFEEHM CN1C(=O)CS/C1=C\C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236276 1290442501 /nfs/dbraw/zinc/44/25/01/1290442501.db2.gz WDOAWLUWDJCLGZ-ACAGNQJTSA-N -1 3 347.223 2.758 10 30 EFEEHM CN(CC(=O)N([O-])Cc1ccc(F)cc1)C(=O)OCc1ccccc1 ZINC001184349219 1290450739 /nfs/dbraw/zinc/45/07/39/1290450739.db2.gz ZJLZPVNQXDPJKV-UHFFFAOYSA-N -1 3 346.358 2.812 10 30 EFEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001189740409 1291831805 /nfs/dbraw/zinc/83/18/05/1291831805.db2.gz OVZMUULMRILEMZ-LBPRGKRZSA-N -1 3 329.393 2.635 10 30 EFEEHM C=C(C)[C@H](CO)Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001189788857 1291862104 /nfs/dbraw/zinc/86/21/04/1291862104.db2.gz PVNANMJCVIMUJT-AWEZNQCLSA-N -1 3 342.424 2.609 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000867058261 1292069044 /nfs/dbraw/zinc/06/90/44/1292069044.db2.gz AREDPPCNHBRRNH-XCLFUZPHSA-N -1 3 330.475 2.723 10 30 EFEEHM C=CCOCCN1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879467230 1292148338 /nfs/dbraw/zinc/14/83/38/1292148338.db2.gz FFWZATUXPDMCRI-CYBMUJFWSA-N -1 3 342.361 2.861 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001192931901 1293113814 /nfs/dbraw/zinc/11/38/14/1293113814.db2.gz GAAZLTOXCHDSCV-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc2nn[n-]c21 ZINC000800207542 1293957612 /nfs/dbraw/zinc/95/76/12/1293957612.db2.gz ZQPZXGQCMMHZMQ-UHFFFAOYSA-N -1 3 342.742 2.871 10 30 EFEEHM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc2[n-]nnc21 ZINC000800207542 1293957619 /nfs/dbraw/zinc/95/76/19/1293957619.db2.gz ZQPZXGQCMMHZMQ-UHFFFAOYSA-N -1 3 342.742 2.871 10 30 EFEEHM N#CCOc1ccc(Cl)cc1COC(=O)c1cccc2n[n-]nc21 ZINC000800207542 1293957626 /nfs/dbraw/zinc/95/76/26/1293957626.db2.gz ZQPZXGQCMMHZMQ-UHFFFAOYSA-N -1 3 342.742 2.871 10 30 EFEEHM COC(=O)[C@H](OC(=O)c1cccc(Cl)c1[O-])c1ccc(C#N)cc1 ZINC000775931714 1295414373 /nfs/dbraw/zinc/41/43/73/1295414373.db2.gz ARVWGGGSIPYTMM-OAHLLOKOSA-N -1 3 345.738 2.988 10 30 EFEEHM C[C@H](Nc1cc(F)ccc1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001412895775 1295706408 /nfs/dbraw/zinc/70/64/08/1295706408.db2.gz YUPTTXYEIUCOJZ-QWRGUYRKSA-N -1 3 328.347 2.873 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001487670713 1296036535 /nfs/dbraw/zinc/03/65/35/1296036535.db2.gz FIAORMXJDQJCNA-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001488191342 1296375290 /nfs/dbraw/zinc/37/52/90/1296375290.db2.gz SCLPTFTWHNZXIM-KBPBESRZSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001488609641 1297563501 /nfs/dbraw/zinc/56/35/01/1297563501.db2.gz IYVMAXNZLGGOFJ-LSDHHAIUSA-N -1 3 342.439 2.739 10 30 EFEEHM C=CCCC(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408511 1298220166 /nfs/dbraw/zinc/22/01/66/1298220166.db2.gz DVQBCSYRVUVLOB-JKSUJKDBSA-N -1 3 328.412 2.516 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001489746768 1298300071 /nfs/dbraw/zinc/30/00/71/1298300071.db2.gz DVLXEWQXYQZMOV-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490860930 1298347225 /nfs/dbraw/zinc/34/72/25/1298347225.db2.gz FIZADIAVVRPFPO-NEVJAFOQSA-N -1 3 342.439 2.856 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1C#N)CC(F)(F)F ZINC000851903611 1299456411 /nfs/dbraw/zinc/45/64/11/1299456411.db2.gz POIOXYMNEXDIJO-UHFFFAOYSA-N -1 3 338.326 2.954 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@H]1Cc1ccccn1 ZINC000853293551 1300078001 /nfs/dbraw/zinc/07/80/01/1300078001.db2.gz KCJLCNVMWUZAFQ-INIZCTEOSA-N -1 3 343.452 2.900 10 30 EFEEHM C=CCCO[N-]C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000856030941 1301211291 /nfs/dbraw/zinc/21/12/91/1301211291.db2.gz XVPMYIHKYHUTRQ-GFCCVEGCSA-N -1 3 343.349 2.941 10 30 EFEEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C1(c2ccc(C#N)cc2)CCCC1 ZINC000859957730 1301651256 /nfs/dbraw/zinc/65/12/56/1301651256.db2.gz UFBXIXZZIFCXDX-UHFFFAOYSA-N -1 3 338.367 2.518 10 30 EFEEHM CC(Cc1ncc(C(F)(F)F)cc1Cl)=NN=c1cc[n-]n1C ZINC000863108753 1302536081 /nfs/dbraw/zinc/53/60/81/1302536081.db2.gz WMQDJYOXMAUDCZ-UHFFFAOYSA-N -1 3 331.729 2.940 10 30 EFEEHM COc1cc(C(=O)N(C)CCc2cccc(C#N)c2)cc(OC)c1[O-] ZINC000863436523 1302616116 /nfs/dbraw/zinc/61/61/16/1302616116.db2.gz BPPLPFOONSUSDN-UHFFFAOYSA-N -1 3 340.379 2.596 10 30 EFEEHM Cc1ncc(CO)c(C=NCc2ccc(C(C)(C)C)[nH]c2=O)c1[O-] ZINC000864347196 1302896018 /nfs/dbraw/zinc/89/60/18/1302896018.db2.gz MARMYGFQCPZTGG-OCKHKDLRSA-N -1 3 329.400 2.605 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000794734730 1303042394 /nfs/dbraw/zinc/04/23/94/1303042394.db2.gz CCHOQFRGFMRJOK-UYPHOHSBSA-N -1 3 330.387 2.522 10 30 EFEEHM Cc1cc(N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)cc(C#N)n1 ZINC000866125747 1303536072 /nfs/dbraw/zinc/53/60/72/1303536072.db2.gz PFDMMIXCBSIXQP-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1nc(C)cs1 ZINC000866741494 1303774813 /nfs/dbraw/zinc/77/48/13/1303774813.db2.gz FQQHCDSVJKFGHV-ZDUSSCGKSA-N -1 3 339.417 2.892 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847774 1303985401 /nfs/dbraw/zinc/98/54/01/1303985401.db2.gz HJFBNZOQXSSMKX-VXGBXAGGSA-N -1 3 348.321 2.873 10 30 EFEEHM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000868562758 1304357120 /nfs/dbraw/zinc/35/71/20/1304357120.db2.gz LGORBXSYHQZEMX-KRWDZBQOSA-N -1 3 340.379 2.897 10 30 EFEEHM COc1cc2c(cc1F)CC[C@@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000800790527 1308424478 /nfs/dbraw/zinc/42/44/78/1308424478.db2.gz MZBSXXOYGISUME-ZTYNIRBVSA-N -1 3 330.359 2.842 10 30 EFEEHM C=CCCn1cc(CNC[C@H]2CCCc3ccc(C(=O)[O-])cc32)nn1 ZINC000901879424 1311147885 /nfs/dbraw/zinc/14/78/85/1311147885.db2.gz PVLNUALSQSTQKA-MRXNPFEDSA-N -1 3 340.427 2.762 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000752152236 1311148290 /nfs/dbraw/zinc/14/82/90/1311148290.db2.gz FPNAJSAIMQUPOH-KPBDOWQBSA-N -1 3 326.396 2.960 10 30 EFEEHM C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001158792546 1311388368 /nfs/dbraw/zinc/38/83/68/1311388368.db2.gz FACMOVRBRRMTFO-JCNLHEQBSA-N -1 3 335.407 2.549 10 30 EFEEHM N#CCn1c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc2ccccc21 ZINC001159062948 1311443269 /nfs/dbraw/zinc/44/32/69/1311443269.db2.gz BPSMBYPPWIDQIK-UHFFFAOYSA-N -1 3 331.335 2.999 10 30 EFEEHM O=C(C=Cc1ccc(F)cc1)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159063547 1311443828 /nfs/dbraw/zinc/44/38/28/1311443828.db2.gz OMFDQYDCPNGLQL-FPYGCLRLSA-N -1 3 325.299 2.629 10 30 EFEEHM CCCCCCN([O-])C(=O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC001161827236 1311983109 /nfs/dbraw/zinc/98/31/09/1311983109.db2.gz YKFXKAHESUXKOJ-UHFFFAOYSA-N -1 3 333.363 2.783 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001161832471 1311984155 /nfs/dbraw/zinc/98/41/55/1311984155.db2.gz NRTVXALDTZIREC-GFCCVEGCSA-N -1 3 335.791 2.582 10 30 EFEEHM Cc1ccccc1-n1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1 ZINC001161848426 1311985805 /nfs/dbraw/zinc/98/58/05/1311985805.db2.gz DELRSLSCDWOQLU-UHFFFAOYSA-N -1 3 326.331 2.746 10 30 EFEEHM N#Cc1ccncc1C(=O)[N-]c1nc(-c2cccnc2Cl)ns1 ZINC001277405115 1312121947 /nfs/dbraw/zinc/12/19/47/1312121947.db2.gz IMUAPDRUSTUNCE-UHFFFAOYSA-N -1 3 342.771 2.772 10 30 EFEEHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903096274 1312350945 /nfs/dbraw/zinc/35/09/45/1312350945.db2.gz WUDAPYQYHMVNSR-JTQLQIEISA-N -1 3 349.225 2.700 10 30 EFEEHM C=C(C)COc1cccc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001215119489 1314784182 /nfs/dbraw/zinc/78/41/82/1314784182.db2.gz JQNSJZLIFGLCAT-UHFFFAOYSA-N -1 3 346.412 2.748 10 30 EFEEHM C=CCn1cc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])nn1 ZINC001299673531 1316337454 /nfs/dbraw/zinc/33/74/54/1316337454.db2.gz AKBCYXNQFYEWSR-UHFFFAOYSA-N -1 3 348.406 2.691 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(F)(C2CC2)CC1 ZINC001262963588 1316509604 /nfs/dbraw/zinc/50/96/04/1316509604.db2.gz SHAYUSXHFFKZED-UHFFFAOYSA-N -1 3 333.367 2.543 10 30 EFEEHM Cc1cc(C)c(C=C([O-])C(C#N)=C(O)C2(c3ccccc3)CC2)c(=O)[nH]1 ZINC001263534535 1316548693 /nfs/dbraw/zinc/54/86/93/1316548693.db2.gz DCEKPHXGURHSJN-QGZVFWFLSA-N -1 3 348.402 2.956 10 30 EFEEHM Cc1cc(C)c(C=C([O-])C(C#N)=C(O)C2(c3ccccc3)CC2)c(=O)[nH]1 ZINC001263534534 1316548794 /nfs/dbraw/zinc/54/87/94/1316548794.db2.gz DCEKPHXGURHSJN-KRWDZBQOSA-N -1 3 348.402 2.956 10 30 EFEEHM CN(C[C@H]1CCCN1C(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001279829932 1317397242 /nfs/dbraw/zinc/39/72/42/1317397242.db2.gz WRNBUXPRHZLJHB-OAHLLOKOSA-N -1 3 342.439 2.505 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC001281198310 1318091771 /nfs/dbraw/zinc/09/17/71/1318091771.db2.gz GBZDLDRGMNIMMY-BHYGNILZSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001281456728 1318328381 /nfs/dbraw/zinc/32/83/81/1318328381.db2.gz PKXJYLCDRDGTRN-UHFFFAOYSA-N -1 3 342.439 2.669 10 30 EFEEHM C=C1CC(C)(C(=O)NCC2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001283444346 1319702930 /nfs/dbraw/zinc/70/29/30/1319702930.db2.gz PUXLUQDBBFJZGB-UHFFFAOYSA-N -1 3 342.439 2.717 10 30 EFEEHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc21 ZINC001319352894 1328861181 /nfs/dbraw/zinc/86/11/81/1328861181.db2.gz NJXNPIJSPLRPSU-UHFFFAOYSA-N -1 3 341.436 2.936 10 30 EFEEHM CC(C)C#CC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001283675885 1319949158 /nfs/dbraw/zinc/94/91/58/1319949158.db2.gz UBPLBTGQPROMHG-NVXWUHKLSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001283937712 1320102951 /nfs/dbraw/zinc/10/29/51/1320102951.db2.gz RCSAFLJRRNOMTE-OAHLLOKOSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284827022 1320552837 /nfs/dbraw/zinc/55/28/37/1320552837.db2.gz XUQQKADULZUXKJ-HOTGVXAUSA-N -1 3 344.455 2.915 10 30 EFEEHM C#CCCCCC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001285131930 1320715409 /nfs/dbraw/zinc/71/54/09/1320715409.db2.gz BINJSRDRKDJIBB-FQEVSTJZSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC1(C(=O)NC2CC(CNC(=O)c3ccccc3[O-])C2)CCC1 ZINC001285247151 1320784621 /nfs/dbraw/zinc/78/46/21/1320784621.db2.gz QCGAFTWWQMHVIN-UHFFFAOYSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001286027969 1321189405 /nfs/dbraw/zinc/18/94/05/1321189405.db2.gz HZMOXJYDQVCOIT-UHFFFAOYSA-N -1 3 330.428 2.907 10 30 EFEEHM C#CCCCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001286154246 1321271768 /nfs/dbraw/zinc/27/17/68/1321271768.db2.gz AKMILBLPKKRSOC-HXUWFJFHSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CCC1(C(=O)N[C@H](C)C2CN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001286211531 1321303043 /nfs/dbraw/zinc/30/30/43/1321303043.db2.gz GLKYVKKQCUUPRX-CQSZACIVSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287344887 1321453755 /nfs/dbraw/zinc/45/37/55/1321453755.db2.gz QLRKDKRZNJHIMM-GJZGRUSLSA-N -1 3 344.455 2.913 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287344888 1321453948 /nfs/dbraw/zinc/45/39/48/1321453948.db2.gz QLRKDKRZNJHIMM-HUUCEWRRSA-N -1 3 344.455 2.913 10 30 EFEEHM C=CCCCC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287344231 1321454127 /nfs/dbraw/zinc/45/41/27/1321454127.db2.gz IGTHYFDBVMLVEO-UHFFFAOYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001288022526 1321586262 /nfs/dbraw/zinc/58/62/62/1321586262.db2.gz LVUWJMDCWHOWSC-LSDHHAIUSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CC(C)(C)CC(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001288401836 1321660224 /nfs/dbraw/zinc/66/02/24/1321660224.db2.gz RXBPBBJHLCUCTJ-UHFFFAOYSA-N -1 3 342.439 2.883 10 30 EFEEHM CC#CCCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001288508001 1321696297 /nfs/dbraw/zinc/69/62/97/1321696297.db2.gz MKESZIMKRICWAF-CABCVRRESA-N -1 3 330.428 2.599 10 30 EFEEHM C=CCCC(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001288665462 1321729264 /nfs/dbraw/zinc/72/92/64/1321729264.db2.gz UWZWGNHGCHZMCT-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001289204915 1321803602 /nfs/dbraw/zinc/80/36/02/1321803602.db2.gz DDULPISBLHSTTC-IRXDYDNUSA-N -1 3 342.439 2.906 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001290018097 1321862690 /nfs/dbraw/zinc/86/26/90/1321862690.db2.gz JEQWJWMLDNWPDO-KFWWJZLASA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001294927103 1322600506 /nfs/dbraw/zinc/60/05/06/1322600506.db2.gz YWZRNUXMJHNTFU-CJNGLKHVSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001294951102 1322608093 /nfs/dbraw/zinc/60/80/93/1322608093.db2.gz JCBKQRBFOCEARO-MRXNPFEDSA-N -1 3 342.439 2.506 10 30 EFEEHM C#CCCCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001297513707 1323250917 /nfs/dbraw/zinc/25/09/17/1323250917.db2.gz PJKFAEODHYVHSL-UHFFFAOYSA-N -1 3 342.439 2.745 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001297917197 1323379826 /nfs/dbraw/zinc/37/98/26/1323379826.db2.gz XOYRWLGTYUEDIN-HOCLYGCPSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCC1(C(=O)N[C@H](C)CNC(=O)c2ccccc2[O-])CCCC1 ZINC001298642831 1323581270 /nfs/dbraw/zinc/58/12/70/1323581270.db2.gz VTDAFVMDOBRUAL-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C#C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccccc1 ZINC001299869089 1323710477 /nfs/dbraw/zinc/71/04/77/1323710477.db2.gz FQNUDYFMTBJJNG-MRXNPFEDSA-N -1 3 329.302 2.961 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491921517 1324035688 /nfs/dbraw/zinc/03/56/88/1324035688.db2.gz YYZOQDAYKNSPEW-LIRRHRJNSA-N -1 3 330.428 2.667 10 30 EFEEHM C#CC[C@@H](COC)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001301822275 1324561274 /nfs/dbraw/zinc/56/12/74/1324561274.db2.gz GLWOJHCBTDBZLO-SFHVURJKSA-N -1 3 337.419 2.946 10 30 EFEEHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)OC ZINC001303685755 1324617028 /nfs/dbraw/zinc/61/70/28/1324617028.db2.gz DZHXLGPBPRIPMI-CYBMUJFWSA-N -1 3 329.318 2.932 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2c[nH]c3cccc(C#N)c32)[n-]n1 ZINC001304108369 1324640005 /nfs/dbraw/zinc/64/00/05/1324640005.db2.gz VEOKXXFYBKLKPO-UHFFFAOYSA-N -1 3 337.339 2.580 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2c[nH]c3cccc(C#N)c32)n[n-]1 ZINC001304108369 1324640011 /nfs/dbraw/zinc/64/00/11/1324640011.db2.gz VEOKXXFYBKLKPO-UHFFFAOYSA-N -1 3 337.339 2.580 10 30 EFEEHM C[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001304130843 1324641702 /nfs/dbraw/zinc/64/17/02/1324641702.db2.gz CPSLEXCBFBLIQQ-SSDOTTSWSA-N -1 3 348.288 2.667 10 30 EFEEHM CCC[C@H](C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892578 1324730205 /nfs/dbraw/zinc/73/02/05/1324730205.db2.gz IZPIOTAIKXWRQB-ZDUSSCGKSA-N -1 3 332.400 2.717 10 30 EFEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001309515317 1324872419 /nfs/dbraw/zinc/87/24/19/1324872419.db2.gz GNMRKXUWALKYTK-LLVKDONJSA-N -1 3 336.276 2.899 10 30 EFEEHM Cc1cc([N-]S(=O)(=O)c2ccc(CC#N)cc2)c2c(n1)CCCC2 ZINC001325242469 1329676140 /nfs/dbraw/zinc/67/61/40/1329676140.db2.gz QRVBWIGOSNFRSF-UHFFFAOYSA-N -1 3 341.436 2.558 10 30 EFEEHM C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)N1CC#N ZINC001333717612 1331200779 /nfs/dbraw/zinc/20/07/79/1331200779.db2.gz AGQNFESEAWLZHO-VXGBXAGGSA-N -1 3 338.249 2.573 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336966402 1331522228 /nfs/dbraw/zinc/52/22/28/1331522228.db2.gz KXMHLRPPWDJRIC-OXJNMPFZSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001337896695 1331610067 /nfs/dbraw/zinc/61/00/67/1331610067.db2.gz BGCQHHDWBWSPQH-ZFWWWQNUSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001337896694 1331610272 /nfs/dbraw/zinc/61/02/72/1331610272.db2.gz BGCQHHDWBWSPQH-UKRRQHHQSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001339370452 1331850424 /nfs/dbraw/zinc/85/04/24/1331850424.db2.gz GLEQVGQLSFURDZ-OAHLLOKOSA-N -1 3 342.439 2.883 10 30 EFEEHM C=CCN(CCc1ccco1)c1nnc(-c2nnc(Cl)[n-]2)n1CC ZINC001340049158 1332133340 /nfs/dbraw/zinc/13/33/40/1332133340.db2.gz RDMWLNHVBNJGOV-UHFFFAOYSA-N -1 3 347.810 2.565 10 30 EFEEHM C=CCN(CCc1ccco1)c1nnc(-c2n[n-]c(Cl)n2)n1CC ZINC001340049158 1332133344 /nfs/dbraw/zinc/13/33/44/1332133344.db2.gz RDMWLNHVBNJGOV-UHFFFAOYSA-N -1 3 347.810 2.565 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001341755143 1332282429 /nfs/dbraw/zinc/28/24/29/1332282429.db2.gz CGVPAYSRKZMUFB-QWRGUYRKSA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C)[C@@H](C)C1 ZINC001341755143 1332282437 /nfs/dbraw/zinc/28/24/37/1332282437.db2.gz CGVPAYSRKZMUFB-QWRGUYRKSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001344140716 1332405536 /nfs/dbraw/zinc/40/55/36/1332405536.db2.gz DRHFJFGKSPGUMI-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001347021693 1332712159 /nfs/dbraw/zinc/71/21/59/1332712159.db2.gz RWBBQOYWSWRTGX-OAHLLOKOSA-N -1 3 342.395 2.657 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Oc1cnn(C(C)C)c1 ZINC000847128262 1333342233 /nfs/dbraw/zinc/34/22/33/1333342233.db2.gz UAHQEGJFUNMZOD-UHFFFAOYSA-N -1 3 328.372 2.591 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N(CC)CCCNC(=O)c1ccccc1[O-] ZINC001352047835 1333365594 /nfs/dbraw/zinc/36/55/94/1333365594.db2.gz IZRHVKQXCLRFMZ-HUUCEWRRSA-N -1 3 332.444 2.819 10 30 EFEEHM C=C1CC(C)(C(=O)N(CC)CCCNC(=O)c2ccccc2[O-])C1 ZINC001352048390 1333366454 /nfs/dbraw/zinc/36/64/54/1333366454.db2.gz QWZKLHHVPPQSCA-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C[C@@](C)(CCOC)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001353263717 1334054716 /nfs/dbraw/zinc/05/47/16/1334054716.db2.gz STWIHLJNXFCFRN-KRWDZBQOSA-N -1 3 332.356 2.714 10 30 EFEEHM C=C[C@](C)(CCOC)C(=O)OCc1nnc(-c2ccccc2[O-])o1 ZINC001353263718 1334054988 /nfs/dbraw/zinc/05/49/88/1334054988.db2.gz STWIHLJNXFCFRN-QGZVFWFLSA-N -1 3 332.356 2.714 10 30 EFEEHM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1cc(F)c(C#N)c(F)c1 ZINC000848034697 1334185888 /nfs/dbraw/zinc/18/58/88/1334185888.db2.gz YYVJTBUSUXAGBZ-UHFFFAOYSA-N -1 3 346.337 2.694 10 30 EFEEHM CC[C@@H](C)CO[N-]C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000848120239 1334325130 /nfs/dbraw/zinc/32/51/30/1334325130.db2.gz BOLLTQYKMACKKB-CQSZACIVSA-N -1 3 338.448 2.731 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001355981581 1334923589 /nfs/dbraw/zinc/92/35/89/1334923589.db2.gz PTWCMBZPFCUSDX-KQIUPUNMSA-N -1 3 340.431 2.809 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC001355981583 1334923645 /nfs/dbraw/zinc/92/36/45/1334923645.db2.gz PTWCMBZPFCUSDX-MFBWXBCUSA-N -1 3 340.431 2.809 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703201 1335113629 /nfs/dbraw/zinc/11/36/29/1335113629.db2.gz GPPJKFSPMFYKHO-HZPDHXFCSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703385 1335114154 /nfs/dbraw/zinc/11/41/54/1335114154.db2.gz JYJZFDWWCXGSPV-FOIQADDNSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356860503 1335175193 /nfs/dbraw/zinc/17/51/93/1335175193.db2.gz HLBLJGUJCFMWNS-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@H]2CNC(=O)c2ccccc2[O-])CCCC1 ZINC001358585483 1335408550 /nfs/dbraw/zinc/40/85/50/1335408550.db2.gz IKCUGOPHHRLNEZ-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM Cc1ncc(CO)c(/C=N\Cc2cccc(OC3CC3)c2F)c1[O-] ZINC000849169456 1335563196 /nfs/dbraw/zinc/56/31/96/1335563196.db2.gz CQPNMUUVKVPWMU-UKWGHVSLSA-N -1 3 330.359 2.887 10 30 EFEEHM CCOC(=O)c1sc([N-]C(=O)c2coc(C#N)c2)c(C#N)c1C ZINC001361320161 1335986750 /nfs/dbraw/zinc/98/67/50/1335986750.db2.gz MMCXYWUVAQQWQX-UHFFFAOYSA-N -1 3 329.337 2.822 10 30 EFEEHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001363574563 1336936850 /nfs/dbraw/zinc/93/68/50/1336936850.db2.gz IQBNIIOYOYNBBR-UHFFFAOYSA-N -1 3 338.363 2.744 10 30 EFEEHM C[C@H](CNCc1cc(F)ccc1C#N)N(C)C(=O)c1ccccc1[O-] ZINC001367340353 1338639484 /nfs/dbraw/zinc/63/94/84/1338639484.db2.gz AUYDRFHXMVQIDR-CYBMUJFWSA-N -1 3 341.386 2.653 10 30 EFEEHM CC(F)(F)C(=O)[N-]C[C@H]1CN(CCC(F)(F)F)CCC1(F)F ZINC001407328833 1368777399 /nfs/dbraw/zinc/77/73/99/1368777399.db2.gz RKPJXUKIEIBLPD-QMMMGPOBSA-N -1 3 338.267 2.667 10 30 EFEEHM C[C@@H](CN(C)C(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001441491873 1391332537 /nfs/dbraw/zinc/33/25/37/1391332537.db2.gz LYQOHUCXHTXNDF-ZDUSSCGKSA-N -1 3 341.386 2.653 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001508339647 1407429999 /nfs/dbraw/zinc/42/99/99/1407429999.db2.gz FFHPMDKLCJFMQH-NFOMZHRRSA-N -1 3 330.428 2.619 10 30 EFEEHM CCc1ccc(C#CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456391299 1394680805 /nfs/dbraw/zinc/68/08/05/1394680805.db2.gz HDXTUCTYZHJBKQ-SNVBAGLBSA-N -1 3 336.317 2.615 10 30 EFEEHM Cc1nn(C)c(Br)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001458024225 1395397441 /nfs/dbraw/zinc/39/74/41/1395397441.db2.gz FXQHBTAEKSKGOC-UHFFFAOYSA-N -1 3 342.168 2.662 10 30 EFEEHM C[C@@H](Nc1cc(F)c(C#N)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001458637652 1395532853 /nfs/dbraw/zinc/53/28/53/1395532853.db2.gz JSYBMMZKIXDHTA-RXMQYKEDSA-N -1 3 344.228 2.916 10 30 EFEEHM O=C(Nc1nnc(C(F)(F)F)[n-]1)C(F)(F)c1cc(F)cc(F)c1 ZINC001462927831 1396461864 /nfs/dbraw/zinc/46/18/64/1396461864.db2.gz ZMPHWKXTSXXKNK-UHFFFAOYSA-N -1 3 342.174 2.832 10 30 EFEEHM O=C(Nc1nc(C(F)(F)F)n[n-]1)C(F)(F)c1cc(F)cc(F)c1 ZINC001462927831 1396461866 /nfs/dbraw/zinc/46/18/66/1396461866.db2.gz ZMPHWKXTSXXKNK-UHFFFAOYSA-N -1 3 342.174 2.832 10 30 EFEEHM CC(C)C#CC(=O)Nc1ccc(I)cc1[O-] ZINC001466817558 1396787618 /nfs/dbraw/zinc/78/76/18/1396787618.db2.gz IFWXSTBIOSMYHR-UHFFFAOYSA-N -1 3 329.137 2.595 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC001475646630 1397444526 /nfs/dbraw/zinc/44/45/26/1397444526.db2.gz TUZTVCHWVOFFKW-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=CCC1(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)CCC1 ZINC001493485656 1398730456 /nfs/dbraw/zinc/73/04/56/1398730456.db2.gz ZRRPPMSEPDUFMO-INIZCTEOSA-N -1 3 342.439 2.763 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001497205019 1401217740 /nfs/dbraw/zinc/21/77/40/1401217740.db2.gz XAIFQEPITBOENZ-IBGZPJMESA-N -1 3 332.444 2.963 10 30 EFEEHM C=C(C)CCC(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001499584845 1402700985 /nfs/dbraw/zinc/70/09/85/1402700985.db2.gz FNOSIYBVNDLLNA-IBGZPJMESA-N -1 3 330.428 2.763 10 30 EFEEHM C#CCCCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001500650177 1403267621 /nfs/dbraw/zinc/26/76/21/1403267621.db2.gz LIIIYZYKZCZCCL-NVXWUHKLSA-N -1 3 342.439 2.553 10 30 EFEEHM C#CCCCCC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001726330466 1426270910 /nfs/dbraw/zinc/27/09/10/1426270910.db2.gz RUALMZANZCXKMX-UHFFFAOYSA-N -1 3 342.439 2.649 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001506246450 1405574043 /nfs/dbraw/zinc/57/40/43/1405574043.db2.gz XCUWHPRJVYMCIT-HXUWFJFHSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001508322732 1407423296 /nfs/dbraw/zinc/42/32/96/1407423296.db2.gz ZFVAMLXXLJAPPJ-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001509758659 1408102685 /nfs/dbraw/zinc/10/26/85/1408102685.db2.gz VGISZMQZZQHSCV-ZIAGYGMSSA-N -1 3 330.428 2.762 10 30 EFEEHM CC#CCCCC(=O)N[C@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001510077266 1412523418 /nfs/dbraw/zinc/52/34/18/1412523418.db2.gz NFBIZCNUYKSTIK-OAHLLOKOSA-N -1 3 330.428 2.601 10 30 EFEEHM C=CCCC(=O)N1CCC([C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001511891153 1413185631 /nfs/dbraw/zinc/18/56/31/1413185631.db2.gz SBQVZWKLSKYULI-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C1CC(C)(C(=O)NCC2=CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC001512087603 1413266296 /nfs/dbraw/zinc/26/62/96/1413266296.db2.gz GHTNUUHGZQUBMZ-UHFFFAOYSA-N -1 3 340.423 2.637 10 30 EFEEHM C=C[C@H](CC)CC(=O)N(CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001512383388 1413412863 /nfs/dbraw/zinc/41/28/63/1413412863.db2.gz UTPSTKKARCIPEQ-HUUCEWRRSA-N -1 3 332.444 2.961 10 30 EFEEHM C#C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC001556781990 1415088215 /nfs/dbraw/zinc/08/82/15/1415088215.db2.gz TYKAWGJMAJPJGT-AWEZNQCLSA-N -1 3 346.180 2.965 10 30 EFEEHM O=C(c1ccc([C@H]2CCC(=O)N2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001559037338 1415219552 /nfs/dbraw/zinc/21/95/52/1415219552.db2.gz SEPUHDFNNAZYFX-MRXNPFEDSA-N -1 3 328.343 2.808 10 30 EFEEHM O=C(NCCC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC001559037372 1415219956 /nfs/dbraw/zinc/21/99/56/1415219956.db2.gz UKBNVUKKCRVVLP-UHFFFAOYSA-N -1 3 334.322 2.503 10 30 EFEEHM N#Cc1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cn1 ZINC001566695429 1415736483 /nfs/dbraw/zinc/73/64/83/1415736483.db2.gz CINFQCQBYCCPOP-UHFFFAOYSA-N -1 3 335.285 2.763 10 30 EFEEHM CCOC(=O)c1ccc(NC(=O)c2cc(C#N)ccc2F)c([O-])c1 ZINC001567084271 1415929579 /nfs/dbraw/zinc/92/95/79/1415929579.db2.gz FFKZHNMEHFPYIG-UHFFFAOYSA-N -1 3 328.299 2.832 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001685038088 1416740398 /nfs/dbraw/zinc/74/03/98/1416740398.db2.gz PBHSUOQKXLDQDQ-CVEARBPZSA-N -1 3 342.439 2.669 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001701316843 1417713288 /nfs/dbraw/zinc/71/32/88/1417713288.db2.gz GLYBRBLGHKBWGC-YJYMSZOUSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001702681742 1417749502 /nfs/dbraw/zinc/74/95/02/1417749502.db2.gz GUHFPBOSGQJYHR-FMKPAKJESA-N -1 3 330.428 2.714 10 30 EFEEHM C=CCCC(=O)NC1CC2(C1)CC(NC(=O)c1ccccc1[O-])C2 ZINC001703079936 1417797039 /nfs/dbraw/zinc/79/70/39/1417797039.db2.gz QCNGLPAYHHCTRK-UHFFFAOYSA-N -1 3 328.412 2.516 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001718286232 1422181941 /nfs/dbraw/zinc/18/19/41/1422181941.db2.gz UVAVSNGZNSBKCM-KGLIPLIRSA-N -1 3 330.428 2.571 10 30 EFEEHM CCCCCCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)[C@@H]1C ZINC001718726153 1422444379 /nfs/dbraw/zinc/44/43/79/1422444379.db2.gz JDZCQSAIOLSGBN-LSDHHAIUSA-N -1 3 349.479 2.665 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001718733735 1422450225 /nfs/dbraw/zinc/45/02/25/1422450225.db2.gz JUMMROOBJBLCTA-UONOGXRCSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001719373248 1422687501 /nfs/dbraw/zinc/68/75/01/1422687501.db2.gz SHKUNALUMDEAIF-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001719373247 1422687636 /nfs/dbraw/zinc/68/76/36/1422687636.db2.gz SHKUNALUMDEAIF-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720352258 1422869822 /nfs/dbraw/zinc/86/98/22/1422869822.db2.gz XRGFKDLIXRBRPP-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720375117 1422893094 /nfs/dbraw/zinc/89/30/94/1422893094.db2.gz OZCIHXFIHMVFGE-CABCVRRESA-N -1 3 330.428 2.667 10 30 EFEEHM C#CCCCCCC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001721567369 1423829004 /nfs/dbraw/zinc/82/90/04/1423829004.db2.gz YJGLWTMCXIQAGN-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001721657654 1423907886 /nfs/dbraw/zinc/90/78/86/1423907886.db2.gz ZWNOCKXHQFSMQT-ZBFHGGJFSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001721739448 1423969849 /nfs/dbraw/zinc/96/98/49/1423969849.db2.gz JMEVPISBVJTPGQ-GDBMZVCRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@@H](C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001721918665 1424067648 /nfs/dbraw/zinc/06/76/48/1424067648.db2.gz KQZZIXPQMJPWMQ-GDBMZVCRSA-N -1 3 338.407 2.597 10 30 EFEEHM CN(C(=O)c1ccccc1[O-])C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001726337249 1426279533 /nfs/dbraw/zinc/27/95/33/1426279533.db2.gz AMWNBDFYGYTKPC-UHFFFAOYSA-N -1 3 342.439 2.505 10 30 EFEEHM C=CC[C@@H]1CCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000890556763 713006612 /nfs/dbraw/zinc/00/66/12/713006612.db2.gz NQXSMSIMZQLISX-CYBMUJFWSA-N -1 3 341.367 2.732 10 30 EFEEHM CC(NN=c1[n-]c(Br)cn2ccnc12)=C1CC1(F)F ZINC000841629507 716007400 /nfs/dbraw/zinc/00/74/00/716007400.db2.gz PCFRCFZPADYGPC-ZETCQYMHSA-N -1 3 330.136 2.935 10 30 EFEEHM C#C[C@@H](CC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304265526 724447612 /nfs/dbraw/zinc/44/76/12/724447612.db2.gz JUUAOAXMFZZJRM-QMMMGPOBSA-N -1 3 336.638 2.793 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000178707694 720562184 /nfs/dbraw/zinc/56/21/84/720562184.db2.gz GJEHYKZBLOIKGB-CYBMUJFWSA-N -1 3 329.381 2.730 10 30 EFEEHM C=CCCCCCCCNC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894921115 723026946 /nfs/dbraw/zinc/02/69/46/723026946.db2.gz WNLVCTWGLMHABG-HNNXBMFYSA-N -1 3 347.463 2.587 10 30 EFEEHM CC[C@@H](NCc1n[nH]cc1Br)c1cccc(C#N)c1[O-] ZINC000925103920 723096473 /nfs/dbraw/zinc/09/64/73/723096473.db2.gz PVAMGSUWVBJPHU-GFCCVEGCSA-N -1 3 335.205 2.990 10 30 EFEEHM Cc1ncc(CO)c(/C=N/CCc2cccc(C(F)(F)F)n2)c1[O-] ZINC000840704485 723437861 /nfs/dbraw/zinc/43/78/61/723437861.db2.gz AZLCOVNPZQYKQK-DNTJNYDQSA-N -1 3 339.317 2.663 10 30 EFEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884339 727281132 /nfs/dbraw/zinc/28/11/32/727281132.db2.gz KYZDAGDHZKTUEH-UAGQMJEPSA-N -1 3 345.443 2.541 10 30 EFEEHM C=C(C)C[C@H](NC(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884335 727281165 /nfs/dbraw/zinc/28/11/65/727281165.db2.gz KYZDAGDHZKTUEH-OIISXLGYSA-N -1 3 345.443 2.541 10 30 EFEEHM C=C(Cl)C[C@@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000910267066 727425147 /nfs/dbraw/zinc/42/51/47/727425147.db2.gz QZMRWUPOAARJNM-OAHLLOKOSA-N -1 3 336.819 2.608 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000927561050 727518348 /nfs/dbraw/zinc/51/83/48/727518348.db2.gz BXSWFAFQGZEHGH-ZYHUDNBSSA-N -1 3 348.271 2.876 10 30 EFEEHM COC(=O)[C@@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000911522738 727554374 /nfs/dbraw/zinc/55/43/74/727554374.db2.gz GWLKZBIRLZLLID-CYBMUJFWSA-N -1 3 338.354 2.744 10 30 EFEEHM COC(=O)[C@H](CC(C)(C)C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000911522739 727554442 /nfs/dbraw/zinc/55/44/42/727554442.db2.gz GWLKZBIRLZLLID-ZDUSSCGKSA-N -1 3 338.354 2.744 10 30 EFEEHM COc1ccc(CNC(=S)NN=C(C)c2cc(F)ccc2[O-])cc1 ZINC000916283020 727671454 /nfs/dbraw/zinc/67/14/54/727671454.db2.gz HCCFZZDJPOQYTI-UHFFFAOYSA-N -1 3 347.415 2.928 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001571987680 1087246521 /nfs/dbraw/zinc/24/65/21/1087246521.db2.gz QUVSUTYEVXCTRM-YOEHRIQHSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCC(C)(C)C(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001573051852 1087668402 /nfs/dbraw/zinc/66/84/02/1087668402.db2.gz XNHDAVNASPWPRV-GDBMZVCRSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCCCC(=O)NC1CC2(C1)CC(NC(=O)c1ccccc1[O-])C2 ZINC001574786594 1088093822 /nfs/dbraw/zinc/09/38/22/1088093822.db2.gz PQVXFKGJLAIDNT-UHFFFAOYSA-N -1 3 342.439 2.906 10 30 EFEEHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](CC#N)C2CC2)c(Cl)c1 ZINC001646915536 1088559056 /nfs/dbraw/zinc/55/90/56/1088559056.db2.gz SOLSTLXSWVOEJP-ZDUSSCGKSA-N -1 3 342.804 2.561 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001580210295 1090812623 /nfs/dbraw/zinc/81/26/23/1090812623.db2.gz ILYJIROTBRMXRN-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C#CCCCCC(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001582321340 1091439231 /nfs/dbraw/zinc/43/92/31/1091439231.db2.gz CCNZMDDEEOUEJM-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM CC(C)C[C@@H](CNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001582858255 1091717533 /nfs/dbraw/zinc/71/75/33/1091717533.db2.gz JRUFNWSNXYCQTR-HNNXBMFYSA-N -1 3 344.455 2.702 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001582887449 1091758049 /nfs/dbraw/zinc/75/80/49/1091758049.db2.gz PAVJCZJSKGLUOL-DOTOQJQBSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001582958844 1091827707 /nfs/dbraw/zinc/82/77/07/1091827707.db2.gz NARJQPIVTXFGMC-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC1(C(=O)NC/C=C\CNC(=O)c2ccccc2[O-])CCC1 ZINC001583073821 1091893468 /nfs/dbraw/zinc/89/34/68/1091893468.db2.gz HKSJRPJYTSOAKP-WAYWQWQTSA-N -1 3 328.412 2.541 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)c(C)n3)nc21 ZINC001586152090 1092694286 /nfs/dbraw/zinc/69/42/86/1092694286.db2.gz JLSSFXWQDVQJDV-UHFFFAOYSA-N -1 3 349.350 2.567 10 30 EFEEHM N#Cc1cccc([C@@H](NC(=O)c2cccc3n[n-]nc32)C(F)(F)F)c1 ZINC001650792726 1093494011 /nfs/dbraw/zinc/49/40/11/1093494011.db2.gz QILKXCUUZSNZCF-CQSZACIVSA-N -1 3 345.284 2.863 10 30 EFEEHM COc1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001651211821 1093539278 /nfs/dbraw/zinc/53/92/78/1093539278.db2.gz HFXYEGMWSFTNBQ-UHFFFAOYSA-N -1 3 328.155 2.824 10 30 EFEEHM CCC(C)(C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001651221054 1093540523 /nfs/dbraw/zinc/54/05/23/1093540523.db2.gz MDISIXPLKDXGSQ-UHFFFAOYSA-N -1 3 332.400 2.717 10 30 EFEEHM O=C(c1cn(-c2cccnc2)nn1)N([O-])CCCCc1ccccc1 ZINC001651228114 1093542382 /nfs/dbraw/zinc/54/23/82/1093542382.db2.gz XHVORDITGQUOGP-UHFFFAOYSA-N -1 3 337.383 2.517 10 30 EFEEHM COc1cc(CC(=O)N([O-])Cc2ccc(F)cc2)cc(OC)c1O ZINC001651237953 1093544111 /nfs/dbraw/zinc/54/41/11/1093544111.db2.gz HSSVXZVDMQAWCJ-UHFFFAOYSA-N -1 3 335.331 2.509 10 30 EFEEHM O=C([C@H]1CNC(=O)c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001611651010 1099026305 /nfs/dbraw/zinc/02/63/05/1099026305.db2.gz VQUXBAWOWVKUIB-AWEZNQCLSA-N -1 3 330.771 2.585 10 30 EFEEHM O=C(c1ccc2c(c1)SCC(=O)N2)N([O-])Cc1ccc(F)cc1 ZINC001611666788 1099029321 /nfs/dbraw/zinc/02/93/21/1099029321.db2.gz BAROXMBBUJTDDP-UHFFFAOYSA-N -1 3 332.356 2.902 10 30 EFEEHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001621940302 1099462581 /nfs/dbraw/zinc/46/25/81/1099462581.db2.gz HAYJVDXSCNDBQH-LBPRGKRZSA-N -1 3 338.791 2.917 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(C)(C)C ZINC001622200901 1099486815 /nfs/dbraw/zinc/48/68/15/1099486815.db2.gz MRBZBQASBCODAM-LLVKDONJSA-N -1 3 348.237 2.914 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(C)(C)C ZINC001622200904 1099487210 /nfs/dbraw/zinc/48/72/10/1099487210.db2.gz MRBZBQASBCODAM-NSHDSACASA-N -1 3 348.237 2.914 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001622346880 1099502711 /nfs/dbraw/zinc/50/27/11/1099502711.db2.gz QVIJYNKPQRASIC-AAEUAGOBSA-N -1 3 343.470 2.948 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC001622434309 1099510913 /nfs/dbraw/zinc/51/09/13/1099510913.db2.gz TYDCGFKNEIHXCO-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM N#Cc1ccncc1C(=O)[N-]c1nnc(C(F)(F)C(F)(F)F)s1 ZINC001624008652 1099651304 /nfs/dbraw/zinc/65/13/04/1099651304.db2.gz IQDOLIJLEKNWRV-UHFFFAOYSA-N -1 3 349.244 2.711 10 30 EFEEHM C#C[C@@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(C)C ZINC001626397295 1099868685 /nfs/dbraw/zinc/86/86/85/1099868685.db2.gz CIIPWOJSHBITKY-CYBMUJFWSA-N -1 3 347.212 2.678 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1OC1CCCCC1 ZINC001628548336 1100112659 /nfs/dbraw/zinc/11/26/59/1100112659.db2.gz VVXPROOSLHJHBS-OAHLLOKOSA-N -1 3 332.400 2.508 10 30 EFEEHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@@H]1CCC[C@H]1C#N ZINC001631887503 1100436997 /nfs/dbraw/zinc/43/69/97/1100436997.db2.gz FDUCULZVOWAARY-IINYFYTJSA-N -1 3 329.787 2.946 10 30 EFEEHM C=CCN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H](C)COC ZINC001632752494 1100498539 /nfs/dbraw/zinc/49/85/39/1100498539.db2.gz VZUOBZFEVDAIHD-LLVKDONJSA-N -1 3 334.803 2.845 10 30 EFEEHM C=CCn1ncc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc21 ZINC001636357979 1100715153 /nfs/dbraw/zinc/71/51/53/1100715153.db2.gz LPQWWEMGCDBMRP-UHFFFAOYSA-N -1 3 337.335 2.909 10 30 EFEEHM C#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC001637297256 1100771384 /nfs/dbraw/zinc/77/13/84/1100771384.db2.gz UVWWPPOTOFPWDB-CYBMUJFWSA-N -1 3 329.739 2.879 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(F)c1Sc1ccccc1 ZINC001637459130 1100783842 /nfs/dbraw/zinc/78/38/42/1100783842.db2.gz MCNVRQFFNGWBMO-CQSZACIVSA-N -1 3 346.383 2.697 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]c1nncn1-c1ccccc1 ZINC001638717891 1100881030 /nfs/dbraw/zinc/88/10/30/1100881030.db2.gz OMWBHGFPQNRACB-UHFFFAOYSA-N -1 3 339.305 2.869 10 30 EFEEHM CCCCN([O-])C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC001639067370 1100909730 /nfs/dbraw/zinc/90/97/30/1100909730.db2.gz VQTPJAZRJZFZOO-UHFFFAOYSA-N -1 3 349.456 2.745 10 30 EFEEHM O=C(c1ccnc(-n2cncn2)c1)N([O-])Cc1cccc2ccccc21 ZINC001639075640 1100911285 /nfs/dbraw/zinc/91/12/85/1100911285.db2.gz SUISDPPDVACEOU-UHFFFAOYSA-N -1 3 345.362 2.847 10 30 EFEEHM O=C(c1cccnc1OCC(F)F)N([O-])Cc1ccc(F)cc1 ZINC001639078940 1100911502 /nfs/dbraw/zinc/91/15/02/1100911502.db2.gz WJTSUWXBLZHTBX-UHFFFAOYSA-N -1 3 326.274 2.896 10 30 EFEEHM C=CCn1cc2ccc(NC(=O)c3cc4c(cc3[O-])OCO4)cc2n1 ZINC001639187835 1100922214 /nfs/dbraw/zinc/92/22/14/1100922214.db2.gz XWDIFNXZMIKTFB-UHFFFAOYSA-N -1 3 337.335 2.909 10 30 EFEEHM CCCCOC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001639284885 1100933687 /nfs/dbraw/zinc/93/36/87/1100933687.db2.gz CIASBSQQBRKJGO-UHFFFAOYSA-N -1 3 338.354 2.888 10 30 EFEEHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001639688488 1100973616 /nfs/dbraw/zinc/97/36/16/1100973616.db2.gz VUCQCKVSFQHJSL-DYZYQPBXSA-N -1 3 348.349 2.517 10 30 EFEEHM CC(C)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)N1C[C@@H](C)O[C@H](C)C1 ZINC001641877766 1101172608 /nfs/dbraw/zinc/17/26/08/1101172608.db2.gz GOPBSKFAFRMCRG-CKEIUWERSA-N -1 3 338.423 2.677 10 30 EFEEHM O=C(c1cc2cc(F)ccc2[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001641877967 1101172720 /nfs/dbraw/zinc/17/27/20/1101172720.db2.gz NXVPDWKOIAVPMR-UHFFFAOYSA-N -1 3 330.290 2.838 10 30 EFEEHM CC(C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC001641877769 1101173098 /nfs/dbraw/zinc/17/30/98/1101173098.db2.gz GOPBSKFAFRMCRG-VBQJREDUSA-N -1 3 338.423 2.677 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001654744169 1101751821 /nfs/dbraw/zinc/75/18/21/1101751821.db2.gz WXFWTNROGCKUGO-SECBINFHSA-N -1 3 329.809 2.899 10 30 EFEEHM O=C(CCC1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001654811940 1101758138 /nfs/dbraw/zinc/75/81/38/1101758138.db2.gz SSMBCLPKNUFPFV-UHFFFAOYSA-N -1 3 344.411 2.861 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1 ZINC001654821267 1101759155 /nfs/dbraw/zinc/75/91/55/1101759155.db2.gz BXZLJCIDQKFDSW-WMZOPIPTSA-N -1 3 346.427 2.765 10 30 EFEEHM O=C([C@H]1C[C@@H](c2ccccc2)OC1=O)N([O-])Cc1ccc(F)cc1 ZINC001654828776 1101761266 /nfs/dbraw/zinc/76/12/66/1101761266.db2.gz GQUBXXOXTUZTHL-CVEARBPZSA-N -1 3 329.327 2.848 10 30 EFEEHM Cc1cc([O-])c(C=NNC(=S)NCC(F)(F)F)c(Cl)c1 ZINC000841621601 1104200903 /nfs/dbraw/zinc/20/09/03/1104200903.db2.gz CEYBMNFSIFSCAG-UHFFFAOYSA-N -1 3 325.743 2.714 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OC ZINC001665547978 1104711542 /nfs/dbraw/zinc/71/15/42/1104711542.db2.gz GRODLJPRYIFWRL-SECBINFHSA-N -1 3 337.850 2.578 10 30 EFEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OCC ZINC001669268396 1105467391 /nfs/dbraw/zinc/46/73/91/1105467391.db2.gz ZETNRCYUTREJHM-GFCCVEGCSA-N -1 3 349.811 2.655 10 30 EFEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC001669324821 1105472245 /nfs/dbraw/zinc/47/22/45/1105472245.db2.gz AXKDMDWUSVYRDI-LLVKDONJSA-N -1 3 336.276 2.899 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC ZINC001671557675 1105658079 /nfs/dbraw/zinc/65/80/79/1105658079.db2.gz WZJMBMUDOUOEAE-AWEZNQCLSA-N -1 3 345.848 2.657 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233168 1106357343 /nfs/dbraw/zinc/35/73/43/1106357343.db2.gz HZXKSFNMIMLPCE-FZKQIMNGSA-N -1 3 332.448 2.603 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001678809808 1107306061 /nfs/dbraw/zinc/30/60/61/1107306061.db2.gz MGLQMACECMAKKV-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM CCCC1N=NC(=S)N1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904187137 1107680799 /nfs/dbraw/zinc/68/07/99/1107680799.db2.gz HAOWXLFXTYSFML-UHFFFAOYSA-N -1 3 340.836 2.591 10 30 EFEEHM C[C@H](NC(=O)CC(C)(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC000904189951 1107703033 /nfs/dbraw/zinc/70/30/33/1107703033.db2.gz DFEIUBMTPRNVII-NSHDSACASA-N -1 3 326.824 2.999 10 30 EFEEHM C[C@H](C(=O)N([O-])Cc1ccccc1Cl)n1nnnc1C(C)(C)C ZINC000904190128 1107703150 /nfs/dbraw/zinc/70/31/50/1107703150.db2.gz HVJLFIQATRCCHP-SNVBAGLBSA-N -1 3 337.811 2.603 10 30 EFEEHM Cn1ncc2c1C[C@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904198079 1107709801 /nfs/dbraw/zinc/70/98/01/1107709801.db2.gz SDMRUELOQUNQOM-MRXNPFEDSA-N -1 3 327.428 2.766 10 30 EFEEHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccsc1 ZINC000904201609 1107712993 /nfs/dbraw/zinc/71/29/93/1107712993.db2.gz WSSLQHAHABSSNR-UHFFFAOYSA-N -1 3 332.425 2.719 10 30 EFEEHM CCC(=O)N1CCC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904201177 1107714193 /nfs/dbraw/zinc/71/41/93/1107714193.db2.gz LOCJJJJLJGGXBC-KRWDZBQOSA-N -1 3 332.444 2.876 10 30 EFEEHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1cccs1 ZINC000904201305 1107714723 /nfs/dbraw/zinc/71/47/23/1107714723.db2.gz MNONEMWGIOIGFA-UHFFFAOYSA-N -1 3 332.425 2.719 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000904204777 1107717842 /nfs/dbraw/zinc/71/78/42/1107717842.db2.gz UYNVYUWVLYDKFE-CYBMUJFWSA-N -1 3 327.446 2.992 10 30 EFEEHM CCCCCCN([O-])C(=O)C1CCN(c2oc(C)nc2C#N)CC1 ZINC000904204717 1107718507 /nfs/dbraw/zinc/71/85/07/1107718507.db2.gz ROXWEZJTRJZFHZ-UHFFFAOYSA-N -1 3 334.420 2.869 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000904206059 1107720276 /nfs/dbraw/zinc/72/02/76/1107720276.db2.gz ZRPCUHFWEYIDIR-LBPRGKRZSA-N -1 3 331.409 2.786 10 30 EFEEHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]OCc1ccc(F)cc1 ZINC000184150413 1118947775 /nfs/dbraw/zinc/94/77/75/1118947775.db2.gz YTRSDQSKPVTHTE-UHFFFAOYSA-N -1 3 344.390 2.733 10 30 EFEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000160881306 529587999 /nfs/dbraw/zinc/58/79/99/529587999.db2.gz LZDLHPAAENKROH-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM N#CC(=N[N-]c1ccc2c(c1)COCO2)S(=O)(=O)c1ccccc1 ZINC000004390130 210186681 /nfs/dbraw/zinc/18/66/81/210186681.db2.gz NUWFYWBWIBDKKO-VRTBNJGNSA-N -1 3 343.364 2.960 10 30 EFEEHM [O-]c1ccccc1/C=N/NC(=S)N[C@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004322530 210169949 /nfs/dbraw/zinc/16/99/49/210169949.db2.gz BBLRKWHKAFHADR-UHYUNTEPSA-N -1 3 327.453 2.791 10 30 EFEEHM CCOC(=O)[C@H]1C(=O)N([O-])C[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000003997636 210096860 /nfs/dbraw/zinc/09/68/60/210096860.db2.gz NXNCZIWWNLCKRP-DLBZAZTESA-N -1 3 341.363 2.973 10 30 EFEEHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000357373319 535396647 /nfs/dbraw/zinc/39/66/47/535396647.db2.gz RAVKAIHSVPDDKB-ZETCQYMHSA-N -1 3 337.626 2.683 10 30 EFEEHM COc1ccc2c(c1)[n-]cc(C(=O)N(CCC#N)CC1CC1)c2=O ZINC000298209315 241145418 /nfs/dbraw/zinc/14/54/18/241145418.db2.gz WLAJOXWHUCCXOW-UHFFFAOYSA-N -1 3 325.368 2.715 10 30 EFEEHM N#CC1CCC(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000357687272 242104422 /nfs/dbraw/zinc/10/44/22/242104422.db2.gz KCCGDLFSSBFRHD-UHFFFAOYSA-N -1 3 345.349 2.866 10 30 EFEEHM N#CC(=C([O-])c1ccc(CNC(N)=O)cc1)c1nccc2ccccc21 ZINC000361532784 242224699 /nfs/dbraw/zinc/22/46/99/242224699.db2.gz ZBKXBHRVBOLQSB-QGZVFWFLSA-N -1 3 344.374 2.893 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000361563099 242227995 /nfs/dbraw/zinc/22/79/95/242227995.db2.gz KUDSMZDUIBFOSY-SNVBAGLBSA-N -1 3 347.223 2.650 10 30 EFEEHM C=CCN(CC(F)(F)F)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000362339334 242251075 /nfs/dbraw/zinc/25/10/75/242251075.db2.gz KKGFBWWFSQGRPV-UHFFFAOYSA-N -1 3 346.255 2.997 10 30 EFEEHM COC(C)(C)CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000414377182 244117051 /nfs/dbraw/zinc/11/70/51/244117051.db2.gz VYZQILQEQCXGCA-UHFFFAOYSA-N -1 3 326.418 2.512 10 30 EFEEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435436654 248241751 /nfs/dbraw/zinc/24/17/51/248241751.db2.gz GSXCMIGQRGBQDL-SECBINFHSA-N -1 3 340.401 2.807 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccccc1C#N ZINC000443067207 250157811 /nfs/dbraw/zinc/15/78/11/250157811.db2.gz DWIOUJOTASPOEH-HNNXBMFYSA-N -1 3 328.393 2.587 10 30 EFEEHM CCOC(=O)c1cc(C(=O)[N-]c2ccc(OC(C)C)c(C#N)c2)on1 ZINC000450171052 251284396 /nfs/dbraw/zinc/28/43/96/251284396.db2.gz APGRMHLWIAXBCB-UHFFFAOYSA-N -1 3 343.339 2.762 10 30 EFEEHM CCCN(C)S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000268768668 252219199 /nfs/dbraw/zinc/21/91/99/252219199.db2.gz KRQGMKMIMFWLSL-UHFFFAOYSA-N -1 3 346.412 2.744 10 30 EFEEHM C[C@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])n1cnc(C#N)n1 ZINC000336966409 143750756 /nfs/dbraw/zinc/75/07/56/143750756.db2.gz HELKYVRJGGAWPX-CYBMUJFWSA-N -1 3 347.378 2.646 10 30 EFEEHM N#Cc1ccc(NC(=O)NCc2ncccc2[O-])cc1C(F)(F)F ZINC000344036037 145351575 /nfs/dbraw/zinc/35/15/75/145351575.db2.gz CCHPVCMOKDEPFI-UHFFFAOYSA-N -1 3 336.273 2.999 10 30 EFEEHM CC(C)([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000360241474 148308620 /nfs/dbraw/zinc/30/86/20/148308620.db2.gz JKLUECMRPOJNHN-UHFFFAOYSA-N -1 3 339.417 2.509 10 30 EFEEHM CCN(Cc1cc(Br)ccc1[O-])c1cnc(C#N)cn1 ZINC000127679884 266135937 /nfs/dbraw/zinc/13/59/37/266135937.db2.gz WRMWUZRJNQYLML-UHFFFAOYSA-N -1 3 333.189 2.843 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nccs1 ZINC000489478327 267196495 /nfs/dbraw/zinc/19/64/95/267196495.db2.gz KCKQKJIVDWLJLJ-GFCCVEGCSA-N -1 3 325.390 2.583 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)cn1 ZINC000295801238 268206120 /nfs/dbraw/zinc/20/61/20/268206120.db2.gz SLWJZVRPAIHJGO-GWCFXTLKSA-N -1 3 347.362 2.743 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c(F)c1 ZINC000523571513 268259309 /nfs/dbraw/zinc/25/93/09/268259309.db2.gz XGNYQMWMLKIXRC-OAHLLOKOSA-N -1 3 330.384 2.533 10 30 EFEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000128259924 293096874 /nfs/dbraw/zinc/09/68/74/293096874.db2.gz WGFCXZANKCDPFV-UHFFFAOYSA-N -1 3 348.399 2.617 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1c1ccccc1 ZINC000428261511 303218770 /nfs/dbraw/zinc/21/87/70/303218770.db2.gz CULJWJLGNIYDCI-HOTGVXAUSA-N -1 3 341.436 2.958 10 30 EFEEHM CCc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1[O-] ZINC000545192444 317908833 /nfs/dbraw/zinc/90/88/33/317908833.db2.gz MNZIEQCUOFDUNN-UHFFFAOYSA-N -1 3 333.351 2.659 10 30 EFEEHM COc1cc(=NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[n-]n1C ZINC000548472542 318111884 /nfs/dbraw/zinc/11/18/84/318111884.db2.gz SVKHEDJPIILYKY-UHFFFAOYSA-N -1 3 348.362 2.767 10 30 EFEEHM Cc1oc(C2CC2)nc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000566788483 319110577 /nfs/dbraw/zinc/11/05/77/319110577.db2.gz WAWAQUQESXMXSQ-UHFFFAOYSA-N -1 3 348.366 2.624 10 30 EFEEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)CO2 ZINC000576404772 320013296 /nfs/dbraw/zinc/01/32/96/320013296.db2.gz MJZHDXZCTUQMHQ-MRXNPFEDSA-N -1 3 346.383 2.559 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc3[nH]ccc32)c(F)c1 ZINC000579980038 324073899 /nfs/dbraw/zinc/07/38/99/324073899.db2.gz IHYYANAGBUGYNF-UHFFFAOYSA-N -1 3 343.383 2.700 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC/C=C/c1ccccc1 ZINC000112584432 473284148 /nfs/dbraw/zinc/28/41/48/473284148.db2.gz VXXBMBGNEJVQNA-RMKNXTFCSA-N -1 3 335.407 2.626 10 30 EFEEHM CCc1nc(C(C#N)=C([O-])c2cccc(NC(N)=O)c2)sc1C ZINC000083817789 473369106 /nfs/dbraw/zinc/36/91/06/473369106.db2.gz AVWLLLVAPCXIOG-GFCCVEGCSA-N -1 3 328.397 2.995 10 30 EFEEHM O=c1[n-]nc(SCC#Cc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000177472178 473385452 /nfs/dbraw/zinc/38/54/52/473385452.db2.gz AKHCXZCYNHLMGR-AWEZNQCLSA-N -1 3 349.843 2.548 10 30 EFEEHM O=c1[n-]nc(SCC#Cc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000177472192 473385921 /nfs/dbraw/zinc/38/59/21/473385921.db2.gz AKHCXZCYNHLMGR-CQSZACIVSA-N -1 3 349.843 2.548 10 30 EFEEHM C=C(C)C[C@H](NC(C)=O)C(=O)N=c1cc(-c2cc(C)cc(C)c2)[n-][nH]1 ZINC000616445791 479910548 /nfs/dbraw/zinc/91/05/48/479910548.db2.gz YAUGOYNNJBUOTR-KRWDZBQOSA-N -1 3 340.427 2.525 10 30 EFEEHM CCOc1ccc(CNC(=S)N/N=C/c2ccccc2[O-])cc1 ZINC000003207426 471436176 /nfs/dbraw/zinc/43/61/76/471436176.db2.gz JPCHFHINFPSMKC-XDHOZWIPSA-N -1 3 329.425 2.789 10 30 EFEEHM COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053525985 472017073 /nfs/dbraw/zinc/01/70/73/472017073.db2.gz OVUIAYGFLHHVTM-LLVKDONJSA-N -1 3 339.355 2.931 10 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/nfs/dbraw/zinc/12/93/78/472129378.db2.gz CTXHLLBQWQERFH-SNVBAGLBSA-N -1 3 341.293 2.679 10 30 EFEEHM CC(C)([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nccs1 ZINC000116376624 472397410 /nfs/dbraw/zinc/39/74/10/472397410.db2.gz BUSUSUACGPMBTB-UHFFFAOYSA-N -1 3 341.845 2.882 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC(C)(C)CC1 ZINC000128145068 472407854 /nfs/dbraw/zinc/40/78/54/472407854.db2.gz FBFLOWLNFTXFEZ-UHFFFAOYSA-N -1 3 329.444 2.881 10 30 EFEEHM COc1cccc(N2CCC[C@H](/N=C/c3ccc(O)c([O-])c3O)C2)c1 ZINC000117107452 472453890 /nfs/dbraw/zinc/45/38/90/472453890.db2.gz JOKOCTZZFJSHEG-HXJASHHUSA-N -1 3 342.395 2.900 10 30 EFEEHM COc1cccc(N2CCC[C@@H](/N=C/c3ccc(O)c([O-])c3O)C2)c1 ZINC000117107456 472454564 /nfs/dbraw/zinc/45/45/64/472454564.db2.gz JOKOCTZZFJSHEG-XLTHYULKSA-N -1 3 342.395 2.900 10 30 EFEEHM COc1ccc(/C=N/CC/N=C/c2ccc(OC)cc2O)c([O-])c1 ZINC000059305402 472624483 /nfs/dbraw/zinc/62/44/83/472624483.db2.gz PJRDYBFKNGIDSN-AYKLPDECSA-N -1 3 328.368 2.653 10 30 EFEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000063250492 472761671 /nfs/dbraw/zinc/76/16/71/472761671.db2.gz LPRCIOUEEXLWPX-UHFFFAOYSA-N -1 3 337.339 2.695 10 30 EFEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)n1 ZINC000157137783 472790648 /nfs/dbraw/zinc/79/06/48/472790648.db2.gz XGAHUPFEFLXWDV-SECBINFHSA-N -1 3 325.390 2.502 10 30 EFEEHM C#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000048030780 472801824 /nfs/dbraw/zinc/80/18/24/472801824.db2.gz ZVJDSVWJXXFYKT-KRWDZBQOSA-N -1 3 334.375 2.617 10 30 EFEEHM CC(=O)N[C@H](CC(=O)Nc1nnc(-c2ccco2)[n-]1)c1ccccc1 ZINC000073974404 472914509 /nfs/dbraw/zinc/91/45/09/472914509.db2.gz HBNRUFMWAOCQAB-CYBMUJFWSA-N -1 3 339.355 2.920 10 30 EFEEHM CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccco2)n[n-]1)c1ccccc1 ZINC000073974404 472914516 /nfs/dbraw/zinc/91/45/16/472914516.db2.gz HBNRUFMWAOCQAB-CYBMUJFWSA-N -1 3 339.355 2.920 10 30 EFEEHM CC(=O)N[C@H](CC(=O)Nc1n[n-]c(-c2ccco2)n1)c1ccccc1 ZINC000073974404 472914524 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C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000594790938 478541204 /nfs/dbraw/zinc/54/12/04/478541204.db2.gz ZHAUKBXUQQFTMT-NWDGAFQWSA-N -1 3 343.470 2.948 10 30 EFEEHM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000594801649 478545890 /nfs/dbraw/zinc/54/58/90/478545890.db2.gz QPSGYAVJVRSUJL-NSHDSACASA-N -1 3 338.429 2.977 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccccn1 ZINC000597865288 478549736 /nfs/dbraw/zinc/54/97/36/478549736.db2.gz RGHQRYAYYIZUSL-LBPRGKRZSA-N -1 3 338.411 2.523 10 30 EFEEHM CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1F ZINC000594829864 478553900 /nfs/dbraw/zinc/55/39/00/478553900.db2.gz BOWRPZCTBSMASF-INIZCTEOSA-N -1 3 333.388 2.768 10 30 EFEEHM N#CC[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000597906798 478567827 /nfs/dbraw/zinc/56/78/27/478567827.db2.gz ZPKLONNZKHGDCS-NSHDSACASA-N -1 3 337.217 2.849 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000594870149 478568435 /nfs/dbraw/zinc/56/84/35/478568435.db2.gz JKTGGVUICMXYGG-UHFFFAOYSA-N -1 3 344.358 2.944 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594884311 478571988 /nfs/dbraw/zinc/57/19/88/478571988.db2.gz NPQYLEYPAVAWAV-UHFFFAOYSA-N -1 3 332.397 2.866 10 30 EFEEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(F)F ZINC000595354363 478744535 /nfs/dbraw/zinc/74/45/35/478744535.db2.gz SVCJYSKKZPFGHV-NSHDSACASA-N -1 3 334.775 2.781 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCC(F)CC1 ZINC000595359307 478747601 /nfs/dbraw/zinc/74/76/01/478747601.db2.gz LONYBYULGVHOQV-QFWMXSHPSA-N -1 3 328.384 2.892 10 30 EFEEHM COc1cccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CCC2)c1 ZINC000595374866 478753513 /nfs/dbraw/zinc/75/35/13/478753513.db2.gz DVKLDUOMEHCRGV-UHFFFAOYSA-N -1 3 348.449 2.986 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)CC(F)(F)F ZINC000595416442 478767772 /nfs/dbraw/zinc/76/77/72/478767772.db2.gz BNTNHILPCCMNRH-UHFFFAOYSA-N -1 3 326.365 2.877 10 30 EFEEHM COc1ccc(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1OCCCC#N ZINC000583204271 478790974 /nfs/dbraw/zinc/79/09/74/478790974.db2.gz GAKWOCSGQCBEIN-ZBFHGGJFSA-N -1 3 346.427 2.920 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1nccs1 ZINC000601351270 478798052 /nfs/dbraw/zinc/79/80/52/478798052.db2.gz CAJABKAKZBLVLN-LBPRGKRZSA-N -1 3 339.417 2.892 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCc2cccnc21 ZINC000601526488 478865211 /nfs/dbraw/zinc/86/52/11/478865211.db2.gz MJVHLKCRXRAPRH-GFCCVEGCSA-N -1 3 347.827 2.615 10 30 EFEEHM CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)[C@@H]1CCC[C@@H]1C#N ZINC000601820597 479020016 /nfs/dbraw/zinc/02/00/16/479020016.db2.gz PEWAHQGDBKOYTL-YMTOWFKASA-N -1 3 331.322 2.571 10 30 EFEEHM Cc1cccc(O[C@@H](C)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000546778327 479070220 /nfs/dbraw/zinc/07/02/20/479070220.db2.gz YCAVBLSOQPQASI-HNNXBMFYSA-N -1 3 336.457 2.766 10 30 EFEEHM Cc1cccc(O[C@H](C)C[N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000546778328 479070579 /nfs/dbraw/zinc/07/05/79/479070579.db2.gz YCAVBLSOQPQASI-OAHLLOKOSA-N -1 3 336.457 2.766 10 30 EFEEHM N#CC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCSCC1 ZINC000598898218 479078853 /nfs/dbraw/zinc/07/88/53/479078853.db2.gz DEAOCVCDETYEQN-UHFFFAOYSA-N -1 3 330.331 2.930 10 30 EFEEHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551940487 479149645 /nfs/dbraw/zinc/14/96/45/479149645.db2.gz RLFXIGCACKPTSG-UHFFFAOYSA-N -1 3 326.727 2.939 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)CCC1 ZINC000554895484 479161381 /nfs/dbraw/zinc/16/13/81/479161381.db2.gz YOYICRVLLUIIAX-UHFFFAOYSA-N -1 3 347.465 2.923 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@@H]1CCCCO1 ZINC000611025917 479266315 /nfs/dbraw/zinc/26/63/15/479266315.db2.gz MKIQFKNYRIRMPN-HNNXBMFYSA-N -1 3 340.420 2.571 10 30 EFEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557526021 479285442 /nfs/dbraw/zinc/28/54/42/479285442.db2.gz FQYPUVQOHZWZTG-GOSISDBHSA-N -1 3 334.379 2.670 10 30 EFEEHM Cc1nc(-c2ccc(NC(=O)N3CC[C@](C)(C#N)C3)cc2)cc(=O)[n-]1 ZINC000596485874 479313796 /nfs/dbraw/zinc/31/37/96/479313796.db2.gz AGEUBIJWAIFWAN-GOSISDBHSA-N -1 3 337.383 2.925 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)cc1C#N ZINC000599500898 479314499 /nfs/dbraw/zinc/31/44/99/479314499.db2.gz CXWLFRULFSWJCK-UHFFFAOYSA-N -1 3 347.362 2.663 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2c(F)cccc2F)CCC1 ZINC000599526609 479321359 /nfs/dbraw/zinc/32/13/59/479321359.db2.gz ZCIINQFPJCDZJA-UHFFFAOYSA-N -1 3 349.362 2.589 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C1CCN(c2ccccc2)CC1 ZINC000593536284 479379926 /nfs/dbraw/zinc/37/99/26/479379926.db2.gz XKLWPGTVUVVWQB-UHFFFAOYSA-N -1 3 347.465 2.567 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCCO1 ZINC000593540450 479382539 /nfs/dbraw/zinc/38/25/39/479382539.db2.gz WXXXINMMTIYQMY-CZUORRHYSA-N -1 3 348.449 2.818 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C1CC1 ZINC000593549556 479385205 /nfs/dbraw/zinc/38/52/05/479385205.db2.gz VVZJXJGSEINDGF-CQSZACIVSA-N -1 3 332.450 2.919 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc2C1 ZINC000593548381 479385562 /nfs/dbraw/zinc/38/55/62/479385562.db2.gz XSDHEBSHEZQEQB-LBPRGKRZSA-N -1 3 332.450 2.703 10 30 EFEEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCCC2 ZINC000593554099 479386558 /nfs/dbraw/zinc/38/65/58/479386558.db2.gz SHUAUQZQFIPUMZ-UONOGXRCSA-N -1 3 340.470 2.636 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000593590788 479395847 /nfs/dbraw/zinc/39/58/47/479395847.db2.gz NXOUFEWFUPGHPJ-AULYBMBSSA-N -1 3 336.413 2.983 10 30 EFEEHM CSCC1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593603130 479398645 /nfs/dbraw/zinc/39/86/45/479398645.db2.gz URXUKKUOQWNYDB-UHFFFAOYSA-N -1 3 330.500 2.820 10 30 EFEEHM COc1ccccc1C1([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593613031 479402488 /nfs/dbraw/zinc/40/24/88/479402488.db2.gz PPIFPWQONBUWQQ-UHFFFAOYSA-N -1 3 334.422 2.596 10 30 EFEEHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000619462555 479800373 /nfs/dbraw/zinc/80/03/73/479800373.db2.gz KRDFYXCVQVCEIG-UHFFFAOYSA-N -1 3 328.393 2.878 10 30 EFEEHM C=CC(C)(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000628313908 479853212 /nfs/dbraw/zinc/85/32/12/479853212.db2.gz GQUUTJGEMQHRTE-HNNXBMFYSA-N -1 3 330.428 2.715 10 30 EFEEHM COc1ccccc1-c1cc(=NC(=O)Cc2cccc(C#N)c2)[nH][n-]1 ZINC000610527780 480331178 /nfs/dbraw/zinc/33/11/78/480331178.db2.gz HUKGDXSGNYNZSI-UHFFFAOYSA-N -1 3 332.363 2.560 10 30 EFEEHM O=C(COCC(F)F)[N-][C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000626405831 480346803 /nfs/dbraw/zinc/34/68/03/480346803.db2.gz JSXMOMOMHPRTHD-NSHDSACASA-N -1 3 333.203 2.966 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664293763 481156504 /nfs/dbraw/zinc/15/65/04/481156504.db2.gz XJEDXAAWOBZIER-ABAIWWIYSA-N -1 3 327.384 2.827 10 30 EFEEHM C=C(C)C[C@H](NC(C)=O)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000664846150 481514640 /nfs/dbraw/zinc/51/46/40/481514640.db2.gz PMCXJFNAIZJEMW-ZDUSSCGKSA-N -1 3 331.372 2.984 10 30 EFEEHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000365493091 534360911 /nfs/dbraw/zinc/36/09/11/534360911.db2.gz SOBVKNPXYDHZCH-NVXWUHKLSA-N -1 3 339.395 2.665 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[n-]1 ZINC000179364861 524985950 /nfs/dbraw/zinc/98/59/50/524985950.db2.gz HOAURUWIMDRRDF-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM COc1nc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[n-]1 ZINC000179364861 524985959 /nfs/dbraw/zinc/98/59/59/524985959.db2.gz HOAURUWIMDRRDF-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000179364861 524985966 /nfs/dbraw/zinc/98/59/66/524985966.db2.gz HOAURUWIMDRRDF-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM N#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000181769613 526722075 /nfs/dbraw/zinc/72/20/75/526722075.db2.gz VZVXIAPQYVRPIW-MRXNPFEDSA-N -1 3 335.363 2.507 10 30 EFEEHM C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161141260 527385031 /nfs/dbraw/zinc/38/50/31/527385031.db2.gz QAHNUDDTZUQTDX-ZDUSSCGKSA-N -1 3 327.384 2.665 10 30 EFEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355821853 534937708 /nfs/dbraw/zinc/93/77/08/534937708.db2.gz AHBOEQIDYKMTJW-OAHLLOKOSA-N -1 3 330.494 2.567 10 30 EFEEHM CO[C@@H](C[N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000360259573 536509396 /nfs/dbraw/zinc/50/93/96/536509396.db2.gz XLTUPYKATKHQJC-KRWDZBQOSA-N -1 3 348.399 2.504 10 30 EFEEHM O=C1[N-][C@H](CF)C(=O)N1C(CCC(F)(F)F)CCC(F)(F)F ZINC000656843783 546948190 /nfs/dbraw/zinc/94/81/90/546948190.db2.gz FQLCKNOLVUPRIG-SSDOTTSWSA-N -1 3 338.223 2.930 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000657148476 547044804 /nfs/dbraw/zinc/04/48/04/547044804.db2.gz ZTOGJLVWTYZTNX-UHFFFAOYSA-N -1 3 341.326 2.716 10 30 EFEEHM Cc1ccc2c(c1C)NC(=O)C2=N[N-]c1ccc(C(F)(F)F)nn1 ZINC000754709004 575475389 /nfs/dbraw/zinc/47/53/89/575475389.db2.gz KVOMRRDLEBAJSQ-UHFFFAOYSA-N -1 3 335.289 2.881 10 30 EFEEHM CCCCCCCC[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000754808826 575494546 /nfs/dbraw/zinc/49/45/46/575494546.db2.gz OQWCZKZYPFJIMM-UHFFFAOYSA-N -1 3 347.502 2.729 10 30 EFEEHM COc1ccc2c(c1)ncc(C(=O)N1CCc3ccc(C#N)cc31)c2[O-] ZINC000757921651 575855813 /nfs/dbraw/zinc/85/58/13/575855813.db2.gz YSTIPPWVEIIAPF-UHFFFAOYSA-N -1 3 345.358 2.611 10 30 EFEEHM N#Cc1cc(Cl)ccc1-n1ccc(NC([O-])=NOCC(F)F)n1 ZINC000760032110 575973902 /nfs/dbraw/zinc/97/39/02/575973902.db2.gz WBTPPGUGAOXYRA-UHFFFAOYSA-N -1 3 341.705 2.716 10 30 EFEEHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[N-]OCC(F)F)n1 ZINC000760032110 575973904 /nfs/dbraw/zinc/97/39/04/575973904.db2.gz WBTPPGUGAOXYRA-UHFFFAOYSA-N -1 3 341.705 2.716 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(C2CC2)o1 ZINC000760483658 576031905 /nfs/dbraw/zinc/03/19/05/576031905.db2.gz JJDDIGFZDIFNLR-UHFFFAOYSA-N -1 3 341.367 2.817 10 30 EFEEHM CCOC(=O)[C@@H](Cc1ccccn1)/N=C\c1ccc(OCC)cc1[O-] ZINC000760990794 576097926 /nfs/dbraw/zinc/09/79/26/576097926.db2.gz RSQJTCRMGOMHPV-OJSPLJLUSA-N -1 3 342.395 2.779 10 30 EFEEHM COc1cccc([O-])c1/C=N/[C@H](C)Cn1ncc2ccccc2c1=O ZINC000763274958 576370560 /nfs/dbraw/zinc/37/05/60/576370560.db2.gz ATQVLHDVSSNDIU-AYPRBGQRSA-N -1 3 337.379 2.618 10 30 EFEEHM C=CCc1cc(OCC)cc(CN2CCN3C(=O)OCC[C@H]3C2)c1[O-] ZINC000763314897 576372229 /nfs/dbraw/zinc/37/22/29/576372229.db2.gz PBJVZVOVAZXJEK-INIZCTEOSA-N -1 3 346.427 2.546 10 30 EFEEHM COc1cc(C(C)=NNc2ccc(Cl)nn2)cc([N+](=O)[O-])c1[O-] ZINC000764657424 576486359 /nfs/dbraw/zinc/48/63/59/576486359.db2.gz JLEBQTHAACOMKW-UHFFFAOYSA-N -1 3 337.723 2.589 10 30 EFEEHM C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746762840 1248779254 /nfs/dbraw/zinc/77/92/54/1248779254.db2.gz XKZMBIHZQDNTRN-ZBFHGGJFSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001719804407 1249209599 /nfs/dbraw/zinc/20/95/99/1249209599.db2.gz HSRQSORRISBUTE-FSDCSDTHSA-N -1 3 342.439 2.856 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001744853126 1248312546 /nfs/dbraw/zinc/31/25/46/1248312546.db2.gz JBXBEFRAAATXDO-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C#C[C@H]1CCCC[C@@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851532317 1251060008 /nfs/dbraw/zinc/06/00/08/1251060008.db2.gz OZNDUEKZJVCDDH-YOEHRIQHSA-N -1 3 326.396 2.944 10 30 EFEEHM CC(C)C(=O)Nc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccn1 ZINC001649075870 1258200490 /nfs/dbraw/zinc/20/04/90/1258200490.db2.gz IOFVCIKEWSPRLZ-UHFFFAOYSA-N -1 3 331.347 2.847 10 30 EFEEHM C=CCC(C)(C)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001487246464 1261500283 /nfs/dbraw/zinc/50/02/83/1261500283.db2.gz ZLRXLTOTUGBRTO-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000922034000 1264185579 /nfs/dbraw/zinc/18/55/79/1264185579.db2.gz LZPICWMWLYFMBI-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnn(C)c2SC)cc1 ZINC000791772016 1278318587 /nfs/dbraw/zinc/31/85/87/1278318587.db2.gz SWGWWWHHBOQEAX-ZDUSSCGKSA-N -1 3 342.424 2.666 10 30 EFEEHM CC(C)[C@@](C)(C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000824984582 1278377768 /nfs/dbraw/zinc/37/77/68/1278377768.db2.gz ZJMMSZFXESVSQB-OAHLLOKOSA-N -1 3 333.342 2.549 10 30 EFEEHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820143591 1277044367 /nfs/dbraw/zinc/04/43/67/1277044367.db2.gz LFRUJDFAHKHSSC-QDZRJHCZSA-N -1 3 329.183 2.503 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000820178744 1277061188 /nfs/dbraw/zinc/06/11/88/1277061188.db2.gz ABGUJSGLFXAWEP-AWEZNQCLSA-N -1 3 336.819 2.648 10 30 EFEEHM CC(C)C#CC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001487130098 1277244687 /nfs/dbraw/zinc/24/46/87/1277244687.db2.gz WSGCGUAZTOOLHU-INIZCTEOSA-N -1 3 342.439 2.553 10 30 EFEEHM O=C1O[C@@H](C/N=C/c2cc(Br)ccc2[O-])CN1C1CC1 ZINC000846757013 1280454075 /nfs/dbraw/zinc/45/40/75/1280454075.db2.gz QXZOOJIXPUNNDQ-RVWHDZECSA-N -1 3 339.189 2.557 10 30 EFEEHM C[C@H](NC(=O)CCC(=O)[N-]Oc1cccc(C#N)c1)c1ccccc1 ZINC001171255387 1280569898 /nfs/dbraw/zinc/56/98/98/1280569898.db2.gz JBWHGGFVEWAGRQ-AWEZNQCLSA-N -1 3 337.379 2.626 10 30 EFEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC000872510225 1287630680 /nfs/dbraw/zinc/63/06/80/1287630680.db2.gz MIXOUBZZBGRYRJ-ZDUSSCGKSA-N -1 3 349.880 2.560 10 30 EFEEHM N#Cc1cc([O-])cc(C(=O)OCc2noc(Cc3ccccc3)n2)c1 ZINC000811185125 1284091404 /nfs/dbraw/zinc/09/14/04/1284091404.db2.gz YVFAJKFSWPZSHF-UHFFFAOYSA-N -1 3 335.319 2.595 10 30 EFEEHM Cc1ccccc1-c1nc(COC(=O)c2cc([O-])cc(C#N)c2)no1 ZINC000811188164 1284095835 /nfs/dbraw/zinc/09/58/35/1284095835.db2.gz BCWMLXLQRPWAOF-UHFFFAOYSA-N -1 3 335.319 2.979 10 30 EFEEHM N#Cc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c(C(F)(F)F)c1 ZINC000811638826 1284470145 /nfs/dbraw/zinc/47/01/45/1284470145.db2.gz BVRGCYJSSHYHLY-UHFFFAOYSA-N -1 3 331.261 2.689 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)s3)nc21 ZINC001134753671 1287172973 /nfs/dbraw/zinc/17/29/73/1287172973.db2.gz RPVPFNZGFOJVEH-UHFFFAOYSA-N -1 3 340.364 2.925 10 30 EFEEHM N#Cc1c(F)cc(C[N-]C(=O)C(F)(F)C2(O)CCCCC2)cc1F ZINC000816505435 1288175237 /nfs/dbraw/zinc/17/52/37/1288175237.db2.gz WJQYDLAXGOSGPB-UHFFFAOYSA-N -1 3 344.308 2.783 10 30 EFEEHM Cc1cc2occ(CC(=O)N[C@H]3CCN([O-])C3=O)c2cc1C(C)C ZINC000816690177 1288246341 /nfs/dbraw/zinc/24/63/41/1288246341.db2.gz KEWRKDRLWCCHDP-HNNXBMFYSA-N -1 3 330.384 2.513 10 30 EFEEHM CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@H]3CCN([O-])C3=O)cc2C1 ZINC000816693310 1288247298 /nfs/dbraw/zinc/24/72/98/1288247298.db2.gz IFQUCZQGEJZNBI-RYUDHWBXSA-N -1 3 336.457 2.619 10 30 EFEEHM CC(C)c1cccc(-c2ccc(C(=O)N[C@H]3CCN([O-])C3=O)o2)c1 ZINC000816691601 1288247375 /nfs/dbraw/zinc/24/73/75/1288247375.db2.gz VAHDQEMNAUTFDQ-AWEZNQCLSA-N -1 3 328.368 2.790 10 30 EFEEHM C#CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CSC1 ZINC000878912568 1291861388 /nfs/dbraw/zinc/86/13/88/1291861388.db2.gz HBSZJNJWCIYCQG-UHFFFAOYSA-N -1 3 325.393 2.632 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1c[nH]nc1Cl)c1ccc(Cl)cc1F ZINC001190188033 1292023570 /nfs/dbraw/zinc/02/35/70/1292023570.db2.gz BBVMRKMIIBJFOU-SNVBAGLBSA-N -1 3 348.186 2.508 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867058262 1292068089 /nfs/dbraw/zinc/06/80/89/1292068089.db2.gz AREDPPCNHBRRNH-ZUOKHONESA-N -1 3 330.475 2.723 10 30 EFEEHM C=C(C)C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000882849633 1293352177 /nfs/dbraw/zinc/35/21/77/1293352177.db2.gz OBUKXFSIAXQZQI-SNVBAGLBSA-N -1 3 338.256 2.907 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001489800852 1298338616 /nfs/dbraw/zinc/33/86/16/1298338616.db2.gz FDXHAJNOJNFNJG-OKILXGFUSA-N -1 3 330.428 2.619 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000851826925 1299421389 /nfs/dbraw/zinc/42/13/89/1299421389.db2.gz BWFWYUZOTQFXLF-CYBMUJFWSA-N -1 3 348.251 2.700 10 30 EFEEHM CC#CCCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672974 1299805720 /nfs/dbraw/zinc/80/57/20/1299805720.db2.gz DXILIOMAMRTRPR-HZPDHXFCSA-N -1 3 338.373 2.936 10 30 EFEEHM Cc1ccc(CN2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C#N ZINC000859361456 1301442596 /nfs/dbraw/zinc/44/25/96/1301442596.db2.gz VGPBHUITGRKJLP-DOMZBBRYSA-N -1 3 339.361 2.756 10 30 EFEEHM C#CC[C@@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000859425976 1301459986 /nfs/dbraw/zinc/45/99/86/1301459986.db2.gz AYPOIGGBTONSJP-JTQLQIEISA-N -1 3 336.240 2.618 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCN(C(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000863107955 1302536486 /nfs/dbraw/zinc/53/64/86/1302536486.db2.gz GXHDFWJWEYSESC-UHFFFAOYSA-N -1 3 335.452 2.667 10 30 EFEEHM COc1ccc([C@H](C)/N=C\c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000864346107 1302894212 /nfs/dbraw/zinc/89/42/12/1302894212.db2.gz NRFIQGIMWMBKLL-NUSHWZLESA-N -1 3 330.384 2.785 10 30 EFEEHM Cc1ncc(CO)c(/C=N\Cc2ccc(OC(F)F)cc2F)c1[O-] ZINC000864349016 1302897353 /nfs/dbraw/zinc/89/73/53/1302897353.db2.gz RXTBYJNWOYEIQQ-SCDVKCJHSA-N -1 3 340.301 2.948 10 30 EFEEHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C[C@H]2CCOC2)nn1 ZINC000865218747 1303192875 /nfs/dbraw/zinc/19/28/75/1303192875.db2.gz VMZMMRUPLFRPCL-AZMCLKLJSA-N -1 3 343.358 2.543 10 30 EFEEHM C[C@@H](NCc1c(Br)cnn1C)c1cccc(C#N)c1[O-] ZINC000866431926 1303637371 /nfs/dbraw/zinc/63/73/71/1303637371.db2.gz GMCWNVWUIHDLAB-SECBINFHSA-N -1 3 335.205 2.611 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)OC ZINC000867624828 1303882009 /nfs/dbraw/zinc/88/20/09/1303882009.db2.gz RYMVTPKXKQELBT-NPQIQWPPSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C(=O)OCC ZINC000870029635 1305093065 /nfs/dbraw/zinc/09/30/65/1305093065.db2.gz NPDRNDBCKMNIMQ-LBPRGKRZSA-N -1 3 331.746 2.969 10 30 EFEEHM O=C(OCC#Cc1ccccc1Cl)c1cc(F)cc2[n-]nnc21 ZINC000800261800 1307635128 /nfs/dbraw/zinc/63/51/28/1307635128.db2.gz YFLNDYRVGZGRCK-UHFFFAOYSA-N -1 3 329.718 2.959 10 30 EFEEHM O=C(OCC#Cc1ccccc1Cl)c1cc(F)cc2nn[n-]c21 ZINC000800261800 1307635131 /nfs/dbraw/zinc/63/51/31/1307635131.db2.gz YFLNDYRVGZGRCK-UHFFFAOYSA-N -1 3 329.718 2.959 10 30 EFEEHM O=C(OCC#Cc1ccccc1Cl)c1cc(F)cc2n[n-]nc21 ZINC000800261800 1307635134 /nfs/dbraw/zinc/63/51/34/1307635134.db2.gz YFLNDYRVGZGRCK-UHFFFAOYSA-N -1 3 329.718 2.959 10 30 EFEEHM CC(=O)N[C@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901378467 1310274662 /nfs/dbraw/zinc/27/46/62/1310274662.db2.gz HUGYDFSXWFBMCJ-QGZVFWFLSA-N -1 3 330.359 2.811 10 30 EFEEHM C=C(C)C[C@H](NCc1nnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC000901679022 1310876444 /nfs/dbraw/zinc/87/64/44/1310876444.db2.gz LRZOOIZCWZSASC-HNNXBMFYSA-N -1 3 326.400 2.654 10 30 EFEEHM Cc1sc(C)c(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)c1C ZINC000901768770 1311022217 /nfs/dbraw/zinc/02/22/17/1311022217.db2.gz ANWHJZSEEQYYII-VIFPVBQESA-N -1 3 326.365 2.796 10 30 EFEEHM Cc1nc2ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc2s1 ZINC000901771140 1311024277 /nfs/dbraw/zinc/02/42/77/1311024277.db2.gz IALPDXOBOSEQOH-LLVKDONJSA-N -1 3 349.359 2.728 10 30 EFEEHM Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901773452 1311026275 /nfs/dbraw/zinc/02/62/75/1311026275.db2.gz OTLQMOIKKIFZNQ-JTQLQIEISA-N -1 3 326.727 2.771 10 30 EFEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@@H](OC)C(C)C)cc21 ZINC000901954645 1311236445 /nfs/dbraw/zinc/23/64/45/1311236445.db2.gz SHRQJGJKNKOAPK-MRXNPFEDSA-N -1 3 337.445 2.635 10 30 EFEEHM CCCCCCCN1CC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001276956829 1311361322 /nfs/dbraw/zinc/36/13/22/1311361322.db2.gz OIEUKGUONAJLRY-CYBMUJFWSA-N -1 3 346.431 2.703 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001159323765 1311494445 /nfs/dbraw/zinc/49/44/45/1311494445.db2.gz CWHJCLKNPZDEJY-CQSZACIVSA-N -1 3 346.770 2.852 10 30 EFEEHM C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC001161802251 1311976062 /nfs/dbraw/zinc/97/60/62/1311976062.db2.gz OITVBNFNMUAJLU-CYBMUJFWSA-N -1 3 344.411 2.717 10 30 EFEEHM Cn1nc(C2CCOCC2)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807915 1311978237 /nfs/dbraw/zinc/97/82/37/1311978237.db2.gz RJWNCXQRKROCPB-UHFFFAOYSA-N -1 3 349.818 2.999 10 30 EFEEHM CCCCN([O-])C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C ZINC001161832997 1311983986 /nfs/dbraw/zinc/98/39/86/1311983986.db2.gz WTGYCLNWMPFQLY-AWEZNQCLSA-N -1 3 337.420 2.535 10 30 EFEEHM CC#CCCCC(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001746677655 1312196806 /nfs/dbraw/zinc/19/68/06/1312196806.db2.gz AJMUKAMQDVDENT-MRXNPFEDSA-N -1 3 344.455 2.847 10 30 EFEEHM C[C@H](Nc1nc2ncccc2cc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001164226104 1312472707 /nfs/dbraw/zinc/47/27/07/1312472707.db2.gz NPPBQNZIGYMYIX-ZETCQYMHSA-N -1 3 333.277 2.811 10 30 EFEEHM C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164225735 1312472916 /nfs/dbraw/zinc/47/29/16/1312472916.db2.gz KOJFKPFPOZWUEG-ZCFIWIBFSA-N -1 3 326.238 2.776 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001211242576 1314462811 /nfs/dbraw/zinc/46/28/11/1314462811.db2.gz VUXIOXQXIZAWRS-GFCCVEGCSA-N -1 3 343.420 2.944 10 30 EFEEHM C=CC[C@H]1CCN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001262644464 1316477035 /nfs/dbraw/zinc/47/70/35/1316477035.db2.gz VYFRNFHYSFALBZ-NSHDSACASA-N -1 3 328.821 2.502 10 30 EFEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000384140290 1316568706 /nfs/dbraw/zinc/56/87/06/1316568706.db2.gz FQUYBLLZAQXHJN-LBPRGKRZSA-N -1 3 334.210 2.668 10 30 EFEEHM C=CCCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001280190654 1317473022 /nfs/dbraw/zinc/47/30/22/1317473022.db2.gz SLDUVUIOYAXYDJ-ZIAGYGMSSA-N -1 3 330.428 2.762 10 30 EFEEHM C#CCCCC(=O)N(C)CC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001280566134 1317617267 /nfs/dbraw/zinc/61/72/67/1317617267.db2.gz AZSHWTABUSLSNA-QGZVFWFLSA-N -1 3 344.455 2.799 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001280954699 1317921279 /nfs/dbraw/zinc/92/12/79/1317921279.db2.gz SCCDCNSNUNPEDH-WMLDXEAASA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281198312 1318091715 /nfs/dbraw/zinc/09/17/15/1318091715.db2.gz GBZDLDRGMNIMMY-DJIMGWMZSA-N -1 3 342.439 2.715 10 30 EFEEHM CC#CCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001281204372 1318098350 /nfs/dbraw/zinc/09/83/50/1318098350.db2.gz VNXSGWPBUWRSOH-RDJZCZTQSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001281203774 1318098965 /nfs/dbraw/zinc/09/89/65/1318098965.db2.gz ZDXMUTBEVQUQNW-USXIJHARSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001281407145 1318272723 /nfs/dbraw/zinc/27/27/23/1318272723.db2.gz RCXCHGBQCZFRPB-CABCVRRESA-N -1 3 330.428 2.858 10 30 EFEEHM C[C@H](CCCCNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001281562035 1318458288 /nfs/dbraw/zinc/45/82/88/1318458288.db2.gz GDCHSRPNAHDQIN-OAHLLOKOSA-N -1 3 344.455 2.847 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001282054978 1318687735 /nfs/dbraw/zinc/68/77/35/1318687735.db2.gz FODTXMSJCGILOM-LIRRHRJNSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001283443573 1319701866 /nfs/dbraw/zinc/70/18/66/1319701866.db2.gz GPMNVYJYJZCFKX-GJZGRUSLSA-N -1 3 344.455 2.819 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001283937711 1320103309 /nfs/dbraw/zinc/10/33/09/1320103309.db2.gz RCSAFLJRRNOMTE-HNNXBMFYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001284069159 1320177298 /nfs/dbraw/zinc/17/72/98/1320177298.db2.gz ADHGWLABHBIIEQ-DOTOQJQBSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284827024 1320552740 /nfs/dbraw/zinc/55/27/40/1320552740.db2.gz XUQQKADULZUXKJ-JKSUJKDBSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001284832928 1320556354 /nfs/dbraw/zinc/55/63/54/1320556354.db2.gz FLGVCVYJUPIBPR-OAHLLOKOSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001285392527 1320882514 /nfs/dbraw/zinc/88/25/14/1320882514.db2.gz XSGWZABRKOJYHZ-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285413990 1320900391 /nfs/dbraw/zinc/90/03/91/1320900391.db2.gz ZBUYTODMQPVPQE-WBVHZDCISA-N -1 3 342.439 2.601 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001286321113 1321337804 /nfs/dbraw/zinc/33/78/04/1321337804.db2.gz KUHJIAVADNAPBD-JKSUJKDBSA-N -1 3 342.439 2.743 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001288555233 1321709400 /nfs/dbraw/zinc/70/94/00/1321709400.db2.gz GDPQLGPCGVXUHH-UHFFFAOYSA-N -1 3 342.439 2.669 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001289204914 1321803763 /nfs/dbraw/zinc/80/37/63/1321803763.db2.gz DDULPISBLHSTTC-IAGOWNOFSA-N -1 3 342.439 2.906 10 30 EFEEHM C=CC[C@@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])c1ccncc1 ZINC001293576917 1322289374 /nfs/dbraw/zinc/28/93/74/1322289374.db2.gz JNVVRURDMHUOIA-MRXNPFEDSA-N -1 3 337.379 2.959 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001293631864 1322303810 /nfs/dbraw/zinc/30/38/10/1322303810.db2.gz YVPURXMMWHWWSW-LSDHHAIUSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001293868833 1322371588 /nfs/dbraw/zinc/37/15/88/1322371588.db2.gz DTRKXCSJWSOXQG-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM O=C(C#Cc1cccs1)NCc1ccc([O-])c(Br)c1 ZINC001294874021 1322587510 /nfs/dbraw/zinc/58/75/10/1322587510.db2.gz XIFUJTLYOCDNLC-UHFFFAOYSA-N -1 3 336.210 2.884 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001297305459 1323156990 /nfs/dbraw/zinc/15/69/90/1323156990.db2.gz DELIISAHLQSOHK-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298112171 1323433594 /nfs/dbraw/zinc/43/35/94/1323433594.db2.gz NHSDUYQBNBNHMM-GDBMZVCRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298112173 1323433796 /nfs/dbraw/zinc/43/37/96/1323433796.db2.gz NHSDUYQBNBNHMM-HOCLYGCPSA-N -1 3 330.428 2.763 10 30 EFEEHM O=C(Cn1ccc(=O)c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001306898377 1324729847 /nfs/dbraw/zinc/72/98/47/1324729847.db2.gz BDAYURLZIUHMOL-UHFFFAOYSA-N -1 3 326.327 2.559 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001309807642 1324888256 /nfs/dbraw/zinc/88/82/56/1324888256.db2.gz USJNGQPZNDXORA-AWEZNQCLSA-N -1 3 345.848 2.657 10 30 EFEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001475318232 1330588090 /nfs/dbraw/zinc/58/80/90/1330588090.db2.gz XMTAPLMDUXPBMZ-NSHDSACASA-N -1 3 340.754 2.834 10 30 EFEEHM C=C1CCC(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001333830064 1331222254 /nfs/dbraw/zinc/22/22/54/1331222254.db2.gz XFUCGXBDOIVIBB-KGLIPLIRSA-N -1 3 330.428 2.762 10 30 EFEEHM C#C[C@@H]1CCCCN1c1nnc(-c2sc3ncccc3c2[O-])n1C ZINC001340208725 1332154182 /nfs/dbraw/zinc/15/41/82/1332154182.db2.gz HMRLXBJKOSJQQB-LLVKDONJSA-N -1 3 339.424 2.790 10 30 EFEEHM CC#CCCCC(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001340497982 1332197103 /nfs/dbraw/zinc/19/71/03/1332197103.db2.gz CURAREAQOUWEPP-UHFFFAOYSA-N -1 3 342.439 2.602 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1CC ZINC001344924642 1332495151 /nfs/dbraw/zinc/49/51/51/1332495151.db2.gz ZZEKCTQDYYILJO-JKSUJKDBSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCCC(=O)N[C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001345180531 1332517543 /nfs/dbraw/zinc/51/75/43/1332517543.db2.gz XBDLTJVWARRBBN-HNNXBMFYSA-N -1 3 330.428 2.859 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001350764200 1333129358 /nfs/dbraw/zinc/12/93/58/1333129358.db2.gz GBMVYYUVFROZFX-LSDHHAIUSA-N -1 3 330.428 2.525 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001350980729 1333162636 /nfs/dbraw/zinc/16/26/36/1333162636.db2.gz SIDBIAPJMPGWTI-UHFFFAOYSA-N -1 3 344.455 2.963 10 30 EFEEHM CCCCCn1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000848135614 1334347723 /nfs/dbraw/zinc/34/77/23/1334347723.db2.gz OSPKQVJLXFMGTC-INIZCTEOSA-N -1 3 343.427 2.942 10 30 EFEEHM CC(=NNCCCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000848418467 1334714560 /nfs/dbraw/zinc/71/45/60/1334714560.db2.gz LCNXYAUJMJZRBE-UHFFFAOYSA-N -1 3 337.221 2.755 10 30 EFEEHM C=CCN(c1nnc(-c2nn(-c3ccccc3)cc2[O-])n1C)C1CC1 ZINC001355359819 1334753508 /nfs/dbraw/zinc/75/35/08/1334753508.db2.gz PTOHHROZULTURM-UHFFFAOYSA-N -1 3 336.399 2.528 10 30 EFEEHM C=CCCn1cc(COC(=O)c2cc(-c3ccc(C)o3)[n-]n2)nn1 ZINC000848702611 1334849789 /nfs/dbraw/zinc/84/97/89/1334849789.db2.gz GNRYDOGCTOEDNV-UHFFFAOYSA-N -1 3 327.344 2.503 10 30 EFEEHM C=CCCn1cc(COC(=O)c2cc(-c3ccc(C)o3)n[n-]2)nn1 ZINC000848702611 1334849797 /nfs/dbraw/zinc/84/97/97/1334849797.db2.gz GNRYDOGCTOEDNV-UHFFFAOYSA-N -1 3 327.344 2.503 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC001355981584 1334923823 /nfs/dbraw/zinc/92/38/23/1334923823.db2.gz PTWCMBZPFCUSDX-PKXJPQMGSA-N -1 3 340.431 2.809 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001356398436 1335030117 /nfs/dbraw/zinc/03/01/17/1335030117.db2.gz FLDYGDDWTHHQKE-LIRRHRJNSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@H](CC)CC(=O)NCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001356639760 1335077220 /nfs/dbraw/zinc/07/72/20/1335077220.db2.gz HTWNDSWAOVDALR-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000849412184 1335609711 /nfs/dbraw/zinc/60/97/11/1335609711.db2.gz HOGNCWADEAFXFQ-NWDGAFQWSA-N -1 3 331.869 2.795 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2c(F)cc(Br)cc2F)nn1 ZINC001360909626 1335949772 /nfs/dbraw/zinc/94/97/72/1335949772.db2.gz XLVXHARIQKYKKX-UHFFFAOYSA-N -1 3 343.131 2.757 10 30 EFEEHM CC(C)(C)c1nc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)co1 ZINC001361516273 1336139351 /nfs/dbraw/zinc/13/93/51/1336139351.db2.gz QUGOPTXFZJKIIK-UHFFFAOYSA-N -1 3 326.356 2.564 10 30 EFEEHM CC(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1[O-] ZINC001362702745 1336710761 /nfs/dbraw/zinc/71/07/61/1336710761.db2.gz DFMAUUCGWFZZGS-UHFFFAOYSA-N -1 3 330.290 2.675 10 30 EFEEHM CCc1nnc(NCc2cc(=O)[n-]c(C3CCC3)n2)c(C#N)c1CC ZINC001363157912 1336809041 /nfs/dbraw/zinc/80/90/41/1336809041.db2.gz WLSAKFJOFBETKE-UHFFFAOYSA-N -1 3 338.415 2.848 10 30 EFEEHM N#Cc1ccnc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC001438266604 1388465186 /nfs/dbraw/zinc/46/51/86/1388465186.db2.gz OYDAOWDEZDLKAT-UHFFFAOYSA-N -1 3 349.244 2.711 10 30 EFEEHM CC[C@](C)(C#N)C(=O)Nc1ccc(I)cc1[O-] ZINC001447624846 1391720785 /nfs/dbraw/zinc/72/07/85/1391720785.db2.gz PQWCSRZTAKAEGC-GFCCVEGCSA-N -1 3 344.152 2.875 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC001454684030 1393089595 /nfs/dbraw/zinc/08/95/95/1393089595.db2.gz UMONKBLODUTPNT-UHFFFAOYSA-N -1 3 339.307 2.540 10 30 EFEEHM CC[C@H](C)[C@H](NC(=O)OC)C(=O)N([O-])Cc1ccccc1Cl ZINC001457995372 1395394928 /nfs/dbraw/zinc/39/49/28/1395394928.db2.gz SFHUTVZXENIOKA-GWCFXTLKSA-N -1 3 328.796 2.829 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001458012435 1395396141 /nfs/dbraw/zinc/39/61/41/1395396141.db2.gz VLQXSWTXZBCWLP-WDNDVIMCSA-N -1 3 326.437 2.897 10 30 EFEEHM CCCCN([O-])C(=O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001458025211 1395397378 /nfs/dbraw/zinc/39/73/78/1395397378.db2.gz RWVZZRDIRFQOCT-UHFFFAOYSA-N -1 3 339.193 2.661 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCC3(CCCCC3)CC1)cc2=O ZINC001460359329 1396028903 /nfs/dbraw/zinc/02/89/03/1396028903.db2.gz CJIPTPXBJZKIGD-UHFFFAOYSA-N -1 3 325.416 2.853 10 30 EFEEHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OCC ZINC001462502995 1396439532 /nfs/dbraw/zinc/43/95/32/1396439532.db2.gz QNCQYRPIWPFXKL-ZDUSSCGKSA-N -1 3 329.318 2.932 10 30 EFEEHM CCOC(=O)C(CC)(CC)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC001468486568 1396961290 /nfs/dbraw/zinc/96/12/90/1396961290.db2.gz BCYHOLKLWWMIPU-UHFFFAOYSA-N -1 3 338.354 2.888 10 30 EFEEHM N#Cc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)s1 ZINC001469151316 1397005018 /nfs/dbraw/zinc/00/50/18/1397005018.db2.gz IWJZYZMPJCIFSS-UHFFFAOYSA-N -1 3 336.319 2.720 10 30 EFEEHM C=C(CC)C(=O)Nc1[n-]nc(C)c1C(=O)Nc1ccccc1OC ZINC001471033364 1397134234 /nfs/dbraw/zinc/13/42/34/1397134234.db2.gz CKXPCJXCEUZRCN-UHFFFAOYSA-N -1 3 328.372 2.884 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001493483240 1398728877 /nfs/dbraw/zinc/72/88/77/1398728877.db2.gz KYPGBZGSYJDHQU-CJNGLKHVSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494307523 1399271667 /nfs/dbraw/zinc/27/16/67/1399271667.db2.gz GTTWWMPMFMZLDG-QRWLVFNGSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001495198126 1399730106 /nfs/dbraw/zinc/73/01/06/1399730106.db2.gz JTRZMGLMQWIBFW-CQSZACIVSA-N -1 3 330.428 2.573 10 30 EFEEHM C=CCCC(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495757318 1400234900 /nfs/dbraw/zinc/23/49/00/1400234900.db2.gz SFIRGXWEWKMSFA-OAHLLOKOSA-N -1 3 330.428 2.859 10 30 EFEEHM C[C@@H](CN(C)CC#Cc1ccc(F)cc1)NC(=O)c1ccccc1[O-] ZINC001498229840 1401929875 /nfs/dbraw/zinc/92/98/75/1401929875.db2.gz XMTUYWVVXTTZMV-HNNXBMFYSA-N -1 3 340.398 2.633 10 30 EFEEHM CC(C)C#CC(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001500588735 1403229119 /nfs/dbraw/zinc/22/91/19/1403229119.db2.gz LVBFKGHHEVXWNX-MRXNPFEDSA-N -1 3 342.439 2.553 10 30 EFEEHM CC#CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001508257725 1407380312 /nfs/dbraw/zinc/38/03/12/1407380312.db2.gz CLXPCFHRHFZATP-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM CC#CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001508257727 1407380634 /nfs/dbraw/zinc/38/06/34/1407380634.db2.gz CLXPCFHRHFZATP-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001509440234 1407980383 /nfs/dbraw/zinc/98/03/83/1407980383.db2.gz YWALNARQIUNMGZ-ZDUSSCGKSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001509758644 1408102539 /nfs/dbraw/zinc/10/25/39/1408102539.db2.gz VGISZMQZZQHSCV-KBPBESRZSA-N -1 3 330.428 2.762 10 30 EFEEHM C[C@@H]1[C@H](NC(=O)c2ccccc2[O-])CCCN1C(=O)C#CC(C)(C)C ZINC001511355556 1412990246 /nfs/dbraw/zinc/99/02/46/1412990246.db2.gz MNDPVCPWZROQEZ-GDBMZVCRSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001512189030 1413319098 /nfs/dbraw/zinc/31/90/98/1413319098.db2.gz NEZRRUOBGWJHLW-HOTGVXAUSA-N -1 3 344.455 2.963 10 30 EFEEHM COc1ccc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc1OC ZINC001557920895 1415150940 /nfs/dbraw/zinc/15/09/40/1415150940.db2.gz HJRXWWUIIGSIBW-UHFFFAOYSA-N -1 3 326.352 2.618 10 30 EFEEHM C#CC(=O)Nc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001558905977 1415210498 /nfs/dbraw/zinc/21/04/98/1415210498.db2.gz GEECDVMLQPXSGL-UHFFFAOYSA-N -1 3 332.356 2.507 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001559035000 1415219801 /nfs/dbraw/zinc/21/98/01/1415219801.db2.gz YCMQGBZXZDGKKR-OAHLLOKOSA-N -1 3 325.453 2.712 10 30 EFEEHM CCOC(=O)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001559037126 1415220081 /nfs/dbraw/zinc/22/00/81/1415220081.db2.gz KCMDHAGEBFMERY-INIZCTEOSA-N -1 3 331.343 2.890 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ccn(CCc2ccccc2)n1 ZINC001559388102 1415242919 /nfs/dbraw/zinc/24/29/19/1415242919.db2.gz ZBVMQJJQOXFGJU-UHFFFAOYSA-N -1 3 341.440 2.901 10 30 EFEEHM C#Cc1ccc(C[N-]S(=O)(=O)c2occc2Br)cc1 ZINC001561585839 1415319731 /nfs/dbraw/zinc/31/97/31/1415319731.db2.gz AKRRRZKWFBHGHB-UHFFFAOYSA-N -1 3 340.198 2.502 10 30 EFEEHM C#CCCCCCC(=O)N[C@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001571754308 1415383428 /nfs/dbraw/zinc/38/34/28/1415383428.db2.gz KBSLYHAPFRUYJZ-CABCVRRESA-N -1 3 330.428 2.599 10 30 EFEEHM C#CCCCC(=O)N1CCCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001685138546 1416748292 /nfs/dbraw/zinc/74/82/92/1416748292.db2.gz IPLAQVOAKIVMLL-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001688284050 1416940452 /nfs/dbraw/zinc/94/04/52/1416940452.db2.gz DGCAHKDMJFPDJN-OAHLLOKOSA-N -1 3 330.428 2.859 10 30 EFEEHM C=CCC1(C(=O)NCCN(C)C(=O)c2ccccc2[O-])CCCC1 ZINC001688350361 1416955606 /nfs/dbraw/zinc/95/56/06/1416955606.db2.gz LELKNSBEDHIUCM-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001701316840 1417713253 /nfs/dbraw/zinc/71/32/53/1417713253.db2.gz GLYBRBLGHKBWGC-BFUOFWGJSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001701321218 1417715798 /nfs/dbraw/zinc/71/57/98/1417715798.db2.gz JBKPBRDBNRUCIF-CYBMUJFWSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001701722933 1417728850 /nfs/dbraw/zinc/72/88/50/1417728850.db2.gz NXRPEUBSIABEAN-UKRRQHHQSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C1CCC(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001704758109 1418119984 /nfs/dbraw/zinc/11/99/84/1418119984.db2.gz DTBRMSMPRAOMKS-AWEZNQCLSA-N -1 3 330.428 2.621 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C(C)C)C1 ZINC001704865451 1418191462 /nfs/dbraw/zinc/19/14/62/1418191462.db2.gz NAVGGZREDGIKSG-HNNXBMFYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)CN[C@@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccccc1CC ZINC001716953584 1419108246 /nfs/dbraw/zinc/10/82/46/1419108246.db2.gz CKEOBAMYUDWOCY-INIZCTEOSA-N -1 3 342.443 2.623 10 30 EFEEHM C#CCC1(C(=O)NCCC[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001718375946 1422231769 /nfs/dbraw/zinc/23/17/69/1422231769.db2.gz QWRXTPNKTFGZBL-HNNXBMFYSA-N -1 3 342.439 2.601 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@H]2CC[C@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001718733668 1422449848 /nfs/dbraw/zinc/44/98/48/1422449848.db2.gz JPOLIVIQWYHDGV-GJZGRUSLSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001719036619 1422648157 /nfs/dbraw/zinc/64/81/57/1422648157.db2.gz IXEXHVZAGOLBSN-HUUCEWRRSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C[C@H](CC)CC(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001720413459 1422922538 /nfs/dbraw/zinc/92/25/38/1422922538.db2.gz GLQGLHMJBURNIA-OAHLLOKOSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001721428568 1423715336 /nfs/dbraw/zinc/71/53/36/1423715336.db2.gz UXUBJCLXEPYLAU-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001721688074 1423929542 /nfs/dbraw/zinc/92/95/42/1423929542.db2.gz POFYNNVNISXYJV-DNVCBOLYSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001721688076 1423930147 /nfs/dbraw/zinc/93/01/47/1423930147.db2.gz POFYNNVNISXYJV-KXBFYZLASA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001721720944 1423951021 /nfs/dbraw/zinc/95/10/21/1423951021.db2.gz FKLOGXYQVKQIKX-DOTOQJQBSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H]2[C@@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001721720946 1423951376 /nfs/dbraw/zinc/95/13/76/1423951376.db2.gz FKLOGXYQVKQIKX-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001721739450 1423969440 /nfs/dbraw/zinc/96/94/40/1423969440.db2.gz JMEVPISBVJTPGQ-HOCLYGCPSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001721739451 1423969805 /nfs/dbraw/zinc/96/98/05/1423969805.db2.gz JMEVPISBVJTPGQ-ZBFHGGJFSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001726200649 1426153248 /nfs/dbraw/zinc/15/32/48/1426153248.db2.gz ZLCBWDJOENMCGW-HRCADAONSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001726208636 1426160561 /nfs/dbraw/zinc/16/05/61/1426160561.db2.gz BSVKBNNTTHZDFL-PJIJBLCYSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304241009 724447573 /nfs/dbraw/zinc/44/75/73/724447573.db2.gz DFKMCOHOHINUPR-UHFFFAOYSA-N -1 3 336.638 2.794 10 30 EFEEHM Cc1ncc(CO)c(/C=N\CCc2cccc(C(F)(F)F)n2)c1[O-] ZINC000840704489 723432764 /nfs/dbraw/zinc/43/27/64/723432764.db2.gz AZLCOVNPZQYKQK-ZBKNUEDVSA-N -1 3 339.317 2.663 10 30 EFEEHM C#CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1 ZINC000888119028 725586356 /nfs/dbraw/zinc/58/63/56/725586356.db2.gz QJTIQBITVLINPW-UHFFFAOYSA-N -1 3 341.367 2.629 10 30 EFEEHM C#CCCOc1ccc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1 ZINC000888119028 725586357 /nfs/dbraw/zinc/58/63/57/725586357.db2.gz QJTIQBITVLINPW-UHFFFAOYSA-N -1 3 341.367 2.629 10 30 EFEEHM COc1cccc(C(F)(F)C(=O)[N-]C2(C#N)CCSCC2)c1 ZINC000907134295 726872453 /nfs/dbraw/zinc/87/24/53/726872453.db2.gz WXSJKDSDEAOGGP-UHFFFAOYSA-N -1 3 326.368 2.693 10 30 EFEEHM C#C[C@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(C)C ZINC000907965349 727066277 /nfs/dbraw/zinc/06/62/77/727066277.db2.gz DMUNTZZVBAMTDM-JTQLQIEISA-N -1 3 331.160 2.710 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000908462469 727190386 /nfs/dbraw/zinc/19/03/86/727190386.db2.gz QGLRBPZCZLFPKN-UHFFFAOYSA-N -1 3 334.800 2.680 10 30 EFEEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)C(F)(F)c2ccccc2C#N)n1 ZINC000911808635 727602473 /nfs/dbraw/zinc/60/24/73/727602473.db2.gz FOTRVWCXFFTNAY-UHFFFAOYSA-N -1 3 346.337 2.506 10 30 EFEEHM CC(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1[O-] ZINC000912929570 727759875 /nfs/dbraw/zinc/75/98/75/727759875.db2.gz HNEZMDJQGLNIJX-UHFFFAOYSA-N -1 3 349.390 2.881 10 30 EFEEHM CCn1c(C=N[N-]S(=O)(=O)Cc2ccccc2)nc2ccccc21 ZINC000920383757 729177957 /nfs/dbraw/zinc/17/79/57/729177957.db2.gz KBKVVMXRHGPINT-UHFFFAOYSA-N -1 3 342.424 2.510 10 30 EFEEHM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC001569564252 1085380751 /nfs/dbraw/zinc/38/07/51/1085380751.db2.gz SHUMJPHZCRPFAT-MRXNPFEDSA-N -1 3 326.352 2.507 10 30 EFEEHM CCCCCCCN1CC2(C1)C[C@@H](NC(=O)c1ccccc1[O-])CO2 ZINC001570238110 1086077710 /nfs/dbraw/zinc/07/77/10/1086077710.db2.gz OVMWDOJCDPZKCB-MRXNPFEDSA-N -1 3 346.471 2.936 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572054143 1087285023 /nfs/dbraw/zinc/28/50/23/1087285023.db2.gz QSEIEKWGZIMUOK-KOMQPUFPSA-N -1 3 342.439 2.785 10 30 EFEEHM CC#CCCCC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001572503312 1087501708 /nfs/dbraw/zinc/50/17/08/1087501708.db2.gz SZXOLDGDMXOSKR-UHFFFAOYSA-N -1 3 344.455 2.895 10 30 EFEEHM C#CCCCCCC(=O)N(C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC001572564034 1087534486 /nfs/dbraw/zinc/53/44/86/1087534486.db2.gz TUNKCLKCHGVNRW-UHFFFAOYSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001572618404 1087566312 /nfs/dbraw/zinc/56/63/12/1087566312.db2.gz YIHXWQMRSQASNL-CVEARBPZSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001572618407 1087566373 /nfs/dbraw/zinc/56/63/73/1087566373.db2.gz YIHXWQMRSQASNL-JKSUJKDBSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001572618406 1087566577 /nfs/dbraw/zinc/56/65/77/1087566577.db2.gz YIHXWQMRSQASNL-HZPDHXFCSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001573940191 1087912949 /nfs/dbraw/zinc/91/29/49/1087912949.db2.gz PWAIOHVBFAPWMK-HUUCEWRRSA-N -1 3 344.455 2.819 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCOC[C@H]1C(C)C ZINC001646899201 1088506632 /nfs/dbraw/zinc/50/66/32/1088506632.db2.gz IVPVUXHJNAKEQB-IRXDYDNUSA-N -1 3 346.427 2.813 10 30 EFEEHM C=CCC1(C(=O)N2CCCN(C(=O)c3ccccc3[O-])CC2)CCC1 ZINC001576357400 1089139823 /nfs/dbraw/zinc/13/98/23/1089139823.db2.gz OPOHTJNPBMKOHS-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001576401009 1089192381 /nfs/dbraw/zinc/19/23/81/1089192381.db2.gz KYXXQRRGWKFEDY-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001647818334 1089884140 /nfs/dbraw/zinc/88/41/40/1089884140.db2.gz DQAIDXUHQKJSGX-ZDUSSCGKSA-N -1 3 338.408 2.885 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001647818334 1089884151 /nfs/dbraw/zinc/88/41/51/1089884151.db2.gz DQAIDXUHQKJSGX-ZDUSSCGKSA-N -1 3 338.408 2.885 10 30 EFEEHM C=C(C)CCC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001648236836 1089966378 /nfs/dbraw/zinc/96/63/78/1089966378.db2.gz WHOYRSYUABHEGU-UHFFFAOYSA-N -1 3 336.193 2.924 10 30 EFEEHM C=C(C)CCC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001648236836 1089966398 /nfs/dbraw/zinc/96/63/98/1089966398.db2.gz WHOYRSYUABHEGU-UHFFFAOYSA-N -1 3 336.193 2.924 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001581217359 1091096788 /nfs/dbraw/zinc/09/67/88/1091096788.db2.gz DLZBVXPGRSLVKI-INIZCTEOSA-N -1 3 342.439 2.881 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001581252606 1091107429 /nfs/dbraw/zinc/10/74/29/1091107429.db2.gz VRLDCRIFUBSCTP-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001581351589 1091124042 /nfs/dbraw/zinc/12/40/42/1091124042.db2.gz PTHDZFSZQVEMSE-CABCVRRESA-N -1 3 332.444 2.819 10 30 EFEEHM C#CCCCCC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001581775155 1091276037 /nfs/dbraw/zinc/27/60/37/1091276037.db2.gz INIJYYDRCSUXFZ-MRXNPFEDSA-N -1 3 342.439 2.506 10 30 EFEEHM C=CC1(CC(=O)NC2CN(C(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001582056488 1091361991 /nfs/dbraw/zinc/36/19/91/1091361991.db2.gz AAADQBWXAWNVLX-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001649873120 1092752259 /nfs/dbraw/zinc/75/22/59/1092752259.db2.gz ISTGZIAZHXLOQP-GRYCIOLGSA-N -1 3 346.786 2.924 10 30 EFEEHM C=C[C@](C)(CC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001588299676 1092914147 /nfs/dbraw/zinc/91/41/47/1092914147.db2.gz NVZNASFWHFOYQK-CQSZACIVSA-N -1 3 345.490 2.761 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC001611655580 1099025584 /nfs/dbraw/zinc/02/55/84/1099025584.db2.gz JTBQEERJUIFVGW-INIZCTEOSA-N -1 3 348.443 2.842 10 30 EFEEHM O=C([C@H]1C[C@]12C(=O)Nc1ccccc12)N([O-])Cc1ccccc1Cl ZINC001611651084 1099025656 /nfs/dbraw/zinc/02/56/56/1099025656.db2.gz YISRYOGREAAZIH-FZKQIMNGSA-N -1 3 342.782 2.968 10 30 EFEEHM CC(C)C[C@@]1(C(=O)N([O-])CCCCc2ccccc2)CCNC1=O ZINC001611653474 1099026146 /nfs/dbraw/zinc/02/61/46/1099026146.db2.gz UCUNGVUQNFZHTK-IBGZPJMESA-N -1 3 332.444 2.780 10 30 EFEEHM O=C([C@@H]1CNC(=O)c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001611651011 1099026753 /nfs/dbraw/zinc/02/67/53/1099026753.db2.gz VQUXBAWOWVKUIB-CQSZACIVSA-N -1 3 330.771 2.585 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](c1ccccc1F)N1CCOCC1 ZINC001611655768 1099027476 /nfs/dbraw/zinc/02/74/76/1099027476.db2.gz QIBORGMVUKTZGN-KRWDZBQOSA-N -1 3 338.423 2.997 10 30 EFEEHM O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N([O-])Cc1ccc(F)cc1 ZINC001611667307 1099028321 /nfs/dbraw/zinc/02/83/21/1099028321.db2.gz XJMARAOTAVSLIM-UHFFFAOYSA-N -1 3 344.302 2.502 10 30 EFEEHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1ccnc2n[nH]nc21 ZINC001617233174 1099227001 /nfs/dbraw/zinc/22/70/01/1099227001.db2.gz RLRQKKODYKFGNX-SNVBAGLBSA-N -1 3 338.396 2.999 10 30 EFEEHM CCCCCCCN1CCO[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001270620146 1099272129 /nfs/dbraw/zinc/27/21/29/1099272129.db2.gz LJLUQDYTCUHDTR-MRXNPFEDSA-N -1 3 334.460 2.793 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001622506671 1099519304 /nfs/dbraw/zinc/51/93/04/1099519304.db2.gz VHCWJNCZNDBVOL-INIZCTEOSA-N -1 3 339.457 2.566 10 30 EFEEHM C#C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC001625078270 1099766804 /nfs/dbraw/zinc/76/68/04/1099766804.db2.gz TZZVKOAKAVDXNJ-CYBMUJFWSA-N -1 3 346.180 2.965 10 30 EFEEHM Cc1nsc([N-]C(=O)c2sc(N(C)C)nc2Cl)c1C#N ZINC000839349848 1099812996 /nfs/dbraw/zinc/81/29/96/1099812996.db2.gz YROMSMSTYXTUJS-UHFFFAOYSA-N -1 3 327.822 2.751 10 30 EFEEHM C#C[C@H](NC(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(C)C ZINC001626397296 1099868980 /nfs/dbraw/zinc/86/89/80/1099868980.db2.gz CIIPWOJSHBITKY-ZDUSSCGKSA-N -1 3 347.212 2.678 10 30 EFEEHM C[C@H]1CCc2nc([N-]C(=O)c3nnc4ccccc4n3)c(C#N)cc2C1 ZINC001627768927 1100031929 /nfs/dbraw/zinc/03/19/29/1100031929.db2.gz WURNSSZNQHSLGV-NSHDSACASA-N -1 3 344.378 2.669 10 30 EFEEHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccnc2n[nH]nc21 ZINC001628775972 1100133677 /nfs/dbraw/zinc/13/36/77/1100133677.db2.gz KGBJKDLBEGFKMT-JTQLQIEISA-N -1 3 338.396 2.857 10 30 EFEEHM COc1cccc(CCC(=O)[N-]Oc2cccc(C#N)c2)c1OC ZINC001635506433 1100665717 /nfs/dbraw/zinc/66/57/17/1100665717.db2.gz KEBSUJGURWZMQE-UHFFFAOYSA-N -1 3 326.352 2.618 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001636353219 1100715134 /nfs/dbraw/zinc/71/51/34/1100715134.db2.gz UJJJVHCGQIKYRT-JWAFFJSPSA-N -1 3 346.383 2.534 10 30 EFEEHM C#CCN1CCC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001638076134 1100830969 /nfs/dbraw/zinc/83/09/69/1100830969.db2.gz YAGIJWVWHFLIJG-IBGZPJMESA-N -1 3 348.446 2.810 10 30 EFEEHM C#CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C(C)C ZINC001638980711 1100903024 /nfs/dbraw/zinc/90/30/24/1100903024.db2.gz FTGZCLVMYXBAJB-UHFFFAOYSA-N -1 3 347.212 2.774 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 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10 30 EFEEHM O=C(c1cc(=O)[n-]c(C2CC2)n1)N(O)CCCCc1ccccc1 ZINC000904195549 1107708966 /nfs/dbraw/zinc/70/89/66/1107708966.db2.gz HNYGWUHPJPFLEU-UHFFFAOYSA-N -1 3 327.384 2.914 10 30 EFEEHM C[C@@H](NC(=O)c1ccoc1)C(=O)N([O-])CCCCc1ccccc1 ZINC000904200554 1107712916 /nfs/dbraw/zinc/71/29/16/1107712916.db2.gz DFMBALHMNVDYMC-CQSZACIVSA-N -1 3 330.384 2.639 10 30 EFEEHM CN(C)C(=O)N1CCC(C(=O)N([O-])CCCCc2ccccc2)CC1 ZINC000904201172 1107713807 /nfs/dbraw/zinc/71/38/07/1107713807.db2.gz LGAKQCRBADOCCL-UHFFFAOYSA-N -1 3 347.459 2.621 10 30 EFEEHM Cc1occc1C(=O)NCC(=O)N([O-])CCCCc1ccccc1 ZINC000904201638 1107714471 /nfs/dbraw/zinc/71/44/71/1107714471.db2.gz XEBFNLVQESOXJM-UHFFFAOYSA-N -1 3 330.384 2.559 10 30 EFEEHM CCCCCCN([O-])C(=O)C1CCN(S(=O)(=O)CCCC)CC1 ZINC000904205710 1107718990 /nfs/dbraw/zinc/71/89/90/1107718990.db2.gz SWQLOCWOAHUJRU-UHFFFAOYSA-N -1 3 348.509 2.626 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001680498643 1107902708 /nfs/dbraw/zinc/90/27/08/1107902708.db2.gz MLDIRRITJVBCNN-UONOGXRCSA-N -1 3 330.428 2.714 10 30 EFEEHM C#CCCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001680661348 1108003085 /nfs/dbraw/zinc/00/30/85/1108003085.db2.gz XZHLEXXBLAVYEK-WBVHZDCISA-N -1 3 342.439 2.695 10 30 EFEEHM CCOC(=O)[C@@H](CSC)/N=C/c1cc(Br)ccc1[O-] ZINC000905001652 1108318373 /nfs/dbraw/zinc/31/83/73/1108318373.db2.gz BTANECCCWQNMFJ-LBMJDHPKSA-N -1 3 346.246 2.868 10 30 EFEEHM CCOC(=O)[C@H](CSC)/N=C/c1cc(Br)ccc1[O-] ZINC000905001651 1108318917 /nfs/dbraw/zinc/31/89/17/1108318917.db2.gz BTANECCCWQNMFJ-BXRZMRDGSA-N -1 3 346.246 2.868 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001681925944 1108483255 /nfs/dbraw/zinc/48/32/55/1108483255.db2.gz LIPLNHQMNMXJKR-LSDHHAIUSA-N -1 3 344.455 2.867 10 30 EFEEHM CSc1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000899376494 1109300428 /nfs/dbraw/zinc/30/04/28/1109300428.db2.gz QUWSUTHUPNVNLM-UHFFFAOYSA-N -1 3 340.408 2.583 10 30 EFEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000355821852 534963606 /nfs/dbraw/zinc/96/36/06/534963606.db2.gz AHBOEQIDYKMTJW-HNNXBMFYSA-N -1 3 330.494 2.567 10 30 EFEEHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000288542178 241016813 /nfs/dbraw/zinc/01/68/13/241016813.db2.gz IEOAPGMTIAOANW-GWCFXTLKSA-N -1 3 347.362 2.851 10 30 EFEEHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cccnc2C(F)(F)F)C1 ZINC000288542186 241017060 /nfs/dbraw/zinc/01/70/60/241017060.db2.gz IEOAPGMTIAOANW-ZWNOBZJWSA-N -1 3 347.362 2.851 10 30 EFEEHM O=C(NCc1nc2c(s1)CCCC2)c1cc(F)cc2nn[n-]c21 ZINC000328641088 241211566 /nfs/dbraw/zinc/21/15/66/241211566.db2.gz DASSZJSNWJVCLN-UHFFFAOYSA-N -1 3 331.376 2.937 10 30 EFEEHM O=C(NCc1nc2c(s1)CCCC2)c1cc(F)cc2[n-]nnc21 ZINC000328641088 241211569 /nfs/dbraw/zinc/21/15/69/241211569.db2.gz DASSZJSNWJVCLN-UHFFFAOYSA-N -1 3 331.376 2.937 10 30 EFEEHM O=C(NCc1nc2c(s1)CCCC2)c1cc(F)cc2n[n-]nc21 ZINC000328641088 241211574 /nfs/dbraw/zinc/21/15/74/241211574.db2.gz 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N#Cc1ccc(OCCNC(=O)c2cc3c(cc2[O-])CCCC3)cc1 ZINC000440188843 478088969 /nfs/dbraw/zinc/08/89/69/478088969.db2.gz PSLYZHQIUNPLAM-UHFFFAOYSA-N -1 3 336.391 2.951 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000451611484 478123540 /nfs/dbraw/zinc/12/35/40/478123540.db2.gz XDLOLRVTJWPSHX-UHFFFAOYSA-N -1 3 342.848 2.697 10 30 EFEEHM CC[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)Oc1ccccc1C ZINC000518620558 478181260 /nfs/dbraw/zinc/18/12/60/478181260.db2.gz MGXYXFDNECKCNM-HNNXBMFYSA-N -1 3 336.457 2.766 10 30 EFEEHM CO[C@](C)(C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccccc1 ZINC000451827336 478218384 /nfs/dbraw/zinc/21/83/84/478218384.db2.gz QGPNIRKXCLWFDL-MRXNPFEDSA-N -1 3 336.457 2.552 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(F)c1 ZINC000536156375 478242316 /nfs/dbraw/zinc/24/23/16/478242316.db2.gz WCUOAPZTTWRALH-INIZCTEOSA-N -1 3 331.372 2.522 10 30 EFEEHM NCC(F)(F)CC(=O)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000579368586 478281648 /nfs/dbraw/zinc/28/16/48/478281648.db2.gz 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ZINC000594485857 478407315 /nfs/dbraw/zinc/40/73/15/478407315.db2.gz BYRJXBGFQOJJOA-ZIAGYGMSSA-N -1 3 342.848 2.838 10 30 EFEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594487583 478407463 /nfs/dbraw/zinc/40/74/63/478407463.db2.gz MSCZUPVTKPCEND-OAHLLOKOSA-N -1 3 347.440 2.818 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCCC12CC2 ZINC000600801082 478526685 /nfs/dbraw/zinc/52/66/85/478526685.db2.gz ANFQTKYCJLWSEU-CQSZACIVSA-N -1 3 327.428 2.905 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCCC12CC2 ZINC000600801073 478527214 /nfs/dbraw/zinc/52/72/14/478527214.db2.gz ANFQTKYCJLWSEU-AWEZNQCLSA-N -1 3 327.428 2.905 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594790857 478541533 /nfs/dbraw/zinc/54/15/33/478541533.db2.gz YSDZMNGOEVBDSK-GXTWGEPZSA-N -1 3 349.412 2.880 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594790859 478541963 /nfs/dbraw/zinc/54/19/63/478541963.db2.gz 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ZINC000594884276 478570984 /nfs/dbraw/zinc/57/09/84/478570984.db2.gz LUWIDYXVLQAZQW-INIZCTEOSA-N -1 3 342.505 2.975 10 30 EFEEHM COc1ccc(F)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884279 478571005 /nfs/dbraw/zinc/57/10/05/478571005.db2.gz LXWBMVHOXJARBR-UHFFFAOYSA-N -1 3 326.393 2.587 10 30 EFEEHM N#Cc1cnc(N2CCC(c3n[n-]c(=O)o3)CC2)c2sccc21 ZINC000601159237 478696108 /nfs/dbraw/zinc/69/61/08/478696108.db2.gz FDHWIYMIPZIYDW-UHFFFAOYSA-N -1 3 327.369 2.641 10 30 EFEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C1(F)F ZINC000595350891 478742433 /nfs/dbraw/zinc/74/24/33/478742433.db2.gz LOFWGVSEZFSITR-LLVKDONJSA-N -1 3 334.775 2.781 10 30 EFEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000595353198 478744428 /nfs/dbraw/zinc/74/44/28/478744428.db2.gz ICITXXGFKYYDBY-QZTJIDSGSA-N -1 3 344.436 2.595 10 30 EFEEHM CC(C)[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000595353277 478744571 /nfs/dbraw/zinc/74/45/71/478744571.db2.gz IZPBGBKLYLDVEF-QZTJIDSGSA-N -1 3 344.436 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CO[C@H](CS(=O)(=O)[N-]CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000599336474 479260067 /nfs/dbraw/zinc/26/00/67/479260067.db2.gz NEPXUHFCUCQXSF-OAHLLOKOSA-N -1 3 340.420 2.517 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000599360748 479269026 /nfs/dbraw/zinc/26/90/26/479269026.db2.gz QGVQTCQGRJAZPK-UHFFFAOYSA-N -1 3 329.418 2.564 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599361252 479269229 /nfs/dbraw/zinc/26/92/29/479269229.db2.gz SSDUUYKMJWGWTI-UHFFFAOYSA-N -1 3 346.380 2.623 10 30 EFEEHM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)CO2 ZINC000599375103 479274573 /nfs/dbraw/zinc/27/45/73/479274573.db2.gz KWCUPAMPGLZWSH-HNNXBMFYSA-N -1 3 348.468 2.692 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(C)c1C(F)F ZINC000611159873 479297805 /nfs/dbraw/zinc/29/78/05/479297805.db2.gz YYBMEFHNSQDPGR-UHFFFAOYSA-N -1 3 349.341 2.518 10 30 EFEEHM N#Cc1ccccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599502642 479315265 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CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C12CCCC2 ZINC000593554098 479386586 /nfs/dbraw/zinc/38/65/86/479386586.db2.gz SHUAUQZQFIPUMZ-KGLIPLIRSA-N -1 3 340.470 2.636 10 30 EFEEHM CCOc1cc(C)ccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593558607 479387063 /nfs/dbraw/zinc/38/70/63/479387063.db2.gz DMIQHBCNPCXFEX-UHFFFAOYSA-N -1 3 336.438 2.805 10 30 EFEEHM CCO[C@H](CC[N-]S(=O)(=O)c1ccsc1C#N)C1CCCC1 ZINC000593556637 479387248 /nfs/dbraw/zinc/38/72/48/479387248.db2.gz LPKBMXMROOXUMU-CYBMUJFWSA-N -1 3 342.486 2.883 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H](c1ccccc1)N(C)C ZINC000593579441 479392741 /nfs/dbraw/zinc/39/27/41/479392741.db2.gz ZDVMSPDWOQDHRR-BLLLJJGKSA-N -1 3 349.481 2.589 10 30 EFEEHM COCCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCCCC1 ZINC000593579334 479392832 /nfs/dbraw/zinc/39/28/32/479392832.db2.gz XQHSSYMNYMBREK-UHFFFAOYSA-N -1 3 342.486 2.885 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 ZINC000593590166 479395797 /nfs/dbraw/zinc/39/57/97/479395797.db2.gz 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479480929 /nfs/dbraw/zinc/48/09/29/479480929.db2.gz FLEZKYZUCSYJGN-UHFFFAOYSA-N -1 3 342.424 2.964 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000589225081 479502901 /nfs/dbraw/zinc/50/29/01/479502901.db2.gz YTWBMTOLDIBNON-CQSZACIVSA-N -1 3 342.848 2.641 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3cccc(CC#N)c3)ccc2n1 ZINC000589585215 479540715 /nfs/dbraw/zinc/54/07/15/479540715.db2.gz WTNCXHOAIYVRMM-UHFFFAOYSA-N -1 3 326.381 2.510 10 30 EFEEHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@H](C)CC#N)c(F)cc1F ZINC000597077764 479559126 /nfs/dbraw/zinc/55/91/26/479559126.db2.gz YNFJTCUTQDLFNI-SECBINFHSA-N -1 3 345.371 2.605 10 30 EFEEHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000590056642 479597219 /nfs/dbraw/zinc/59/72/19/479597219.db2.gz QIULCIOALQGGTL-UHFFFAOYSA-N -1 3 326.299 2.971 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1CN=c1ncc2scc(Br)c2[n-]1 ZINC000578905659 479629883 /nfs/dbraw/zinc/62/98/83/479629883.db2.gz FIBURZMGOLJDOJ-WPRPVWTQSA-N -1 3 340.246 2.879 10 30 EFEEHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645638930 480905324 /nfs/dbraw/zinc/90/53/24/480905324.db2.gz CYOSPCBNJUNPCG-GFCCVEGCSA-N -1 3 325.455 2.673 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000640317817 481914578 /nfs/dbraw/zinc/91/45/78/481914578.db2.gz LWFNSVAGYMDEGS-PWSUYJOCSA-N -1 3 341.253 2.861 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000651728325 481922713 /nfs/dbraw/zinc/92/27/13/481922713.db2.gz UIWCCUFBYCZJAG-BDAKNGLRSA-N -1 3 342.269 2.818 10 30 EFEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C#N)c3)cc2)n1 ZINC000064359372 526116917 /nfs/dbraw/zinc/11/69/17/526116917.db2.gz AELAWSMXBYFJBG-UHFFFAOYSA-N -1 3 330.347 2.869 10 30 EFEEHM [O-]c1cc(O)ccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 ZINC000013943585 526340143 /nfs/dbraw/zinc/34/01/43/526340143.db2.gz TZHAMAUHEJHNFI-NDENLUEZSA-N -1 3 345.830 2.903 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000157463846 526563240 /nfs/dbraw/zinc/56/32/40/526563240.db2.gz JQKLXWPCMZDQIF-HOCLYGCPSA-N -1 3 330.384 2.779 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccccn2)c(Cl)c1 ZINC000180182607 526682546 /nfs/dbraw/zinc/68/25/46/526682546.db2.gz DNSWEDKGEVHAHY-UHFFFAOYSA-N -1 3 335.816 2.518 10 30 EFEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186651145 527211317 /nfs/dbraw/zinc/21/13/17/527211317.db2.gz NKNPFIDVEYVUMV-SECBINFHSA-N -1 3 343.754 2.574 10 30 EFEEHM O=C(C[C@@H]1OCCc2ccccc21)[N-]c1nnnn1-c1ccccc1 ZINC000096406288 527586628 /nfs/dbraw/zinc/58/66/28/527586628.db2.gz AZNIFYZAIOFXTB-INIZCTEOSA-N -1 3 335.367 2.954 10 30 EFEEHM COc1ccc(-c2nnc([N-]C(=O)c3cc(C#N)ccn3)s2)cc1 ZINC000339512628 536530754 /nfs/dbraw/zinc/53/07/54/536530754.db2.gz CDJDTVIYVBYGGW-UHFFFAOYSA-N -1 3 337.364 2.733 10 30 EFEEHM C=CCOCCNC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000679586143 549156586 /nfs/dbraw/zinc/15/65/86/549156586.db2.gz KKIONSDALWLWCF-UHFFFAOYSA-N -1 3 327.380 2.904 10 30 EFEEHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000682498664 549750337 /nfs/dbraw/zinc/75/03/37/549750337.db2.gz QWMSKMMPDPXPQK-SNVBAGLBSA-N -1 3 333.273 2.812 10 30 EFEEHM Cc1ncc(CO)c(/C=N/CCOCc2ccc(Cl)cc2)c1[O-] ZINC000753884677 575354927 /nfs/dbraw/zinc/35/49/27/575354927.db2.gz JDHMYCNMTZACPS-DJKKODMXSA-N -1 3 334.803 2.877 10 30 EFEEHM COc1ccc(COC(=O)c2cc(OC)c([O-])c(OC)c2)cc1C#N ZINC000754257634 575411996 /nfs/dbraw/zinc/41/19/96/575411996.db2.gz FZWUISMMEUYNET-UHFFFAOYSA-N -1 3 343.335 2.647 10 30 EFEEHM [O-]c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)nc1 ZINC000755523032 575595374 /nfs/dbraw/zinc/59/53/74/575595374.db2.gz DAVHLSLOINXYIP-UHFFFAOYSA-N -1 3 331.788 2.870 10 30 EFEEHM C#CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000756979899 575807413 /nfs/dbraw/zinc/80/74/13/575807413.db2.gz FLSHQRZOYJQPNQ-LBPRGKRZSA-N -1 3 336.394 2.699 10 30 EFEEHM C#CC[N-]C(=S)C(C(=O)c1ccc(C)s1)[n+]1cc([O-])ccc1C ZINC000759053640 575883694 /nfs/dbraw/zinc/88/36/94/575883694.db2.gz DKEFVQPAAQESFX-UHFFFAOYSA-O -1 3 345.469 2.792 10 30 EFEEHM CC[N-]C(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1cc([O-])ccc1C ZINC000762440594 576302894 /nfs/dbraw/zinc/30/28/94/576302894.db2.gz YJYRGTVGMDKJMW-UHFFFAOYSA-O -1 3 340.428 2.681 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)C[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000765415071 577039841 /nfs/dbraw/zinc/03/98/41/577039841.db2.gz BCEYDFMRWWTQCD-LLNWESEBSA-N -1 3 337.441 2.865 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000765493467 577046832 /nfs/dbraw/zinc/04/68/32/577046832.db2.gz IAMVTJGQNZYQMH-SGTLLEGYSA-N -1 3 330.384 2.643 10 30 EFEEHM COc1cccc([O-])c1/C=N/[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000766284413 577130994 /nfs/dbraw/zinc/13/09/94/577130994.db2.gz RQMLSGWZAYHJSU-YRIIZNAFSA-N -1 3 328.416 2.531 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000768879312 577313238 /nfs/dbraw/zinc/31/32/38/577313238.db2.gz AOMOXHGNXGUQRG-SBDDDAINSA-N -1 3 343.246 2.887 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000768886095 577313964 /nfs/dbraw/zinc/31/39/64/577313964.db2.gz AJDSHAIVNRTWKC-FMFIFOJESA-N -1 3 343.246 2.887 10 30 EFEEHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)n1 ZINC000771959855 581264769 /nfs/dbraw/zinc/26/47/69/581264769.db2.gz ZOHHQEGIGVZCIO-UHFFFAOYSA-N -1 3 339.395 2.964 10 30 EFEEHM CCOc1ccc(/C=N/Cc2cccc(N3CCOCC3)n2)c([O-])c1 ZINC000773905809 581473186 /nfs/dbraw/zinc/47/31/86/581473186.db2.gz PERXAHQJTWPUAY-DEDYPNTBSA-N -1 3 341.411 2.642 10 30 EFEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1ccc(C)nc1 ZINC000773979842 581476574 /nfs/dbraw/zinc/47/65/74/581476574.db2.gz LKCUOWLPKUFRQX-FEAKQIBJSA-N -1 3 335.363 2.759 10 30 EFEEHM Cc1cc(Cl)cc(C=NNC(=S)NCCc2ccccn2)c1[O-] ZINC000774586302 581494709 /nfs/dbraw/zinc/49/47/09/581494709.db2.gz HQMUWXSERBTJSF-UHFFFAOYSA-N -1 3 348.859 2.790 10 30 EFEEHM C#CCCCC(=O)NCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC001745589464 1249896218 /nfs/dbraw/zinc/89/62/18/1249896218.db2.gz LKFQVRFEHSKUTB-UHFFFAOYSA-N -1 3 330.428 2.553 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@@H](N(C)C(=O)c3ccccc3[O-])C2)CCC1 ZINC001687238099 1248117477 /nfs/dbraw/zinc/11/74/77/1248117477.db2.gz CPDONFFTGXSCAO-OAHLLOKOSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001687324282 1248236745 /nfs/dbraw/zinc/23/67/45/1248236745.db2.gz IVSYWAOQQAPLSF-HNNXBMFYSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001772540309 1248268270 /nfs/dbraw/zinc/26/82/70/1248268270.db2.gz YCIZFNRLRUHZHM-HDJSIYSDSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)OCC ZINC001364900237 1265482323 /nfs/dbraw/zinc/48/23/23/1265482323.db2.gz AQTCXUNPWYNFCK-LBPRGKRZSA-N -1 3 339.885 2.806 10 30 EFEEHM C#C[C@@H]1CCCC[C@@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851532314 1251059449 /nfs/dbraw/zinc/05/94/49/1251059449.db2.gz OZNDUEKZJVCDDH-PBHICJAKSA-N -1 3 326.396 2.944 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000921616212 1257546320 /nfs/dbraw/zinc/54/63/20/1257546320.db2.gz DBTSILLBWGOFSA-DTWKUNHWSA-N -1 3 338.738 2.688 10 30 EFEEHM CC(C)C[C@@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649041369 1257686950 /nfs/dbraw/zinc/68/69/50/1257686950.db2.gz RDOUXRAHGRODOJ-CYBMUJFWSA-N -1 3 332.400 2.573 10 30 EFEEHM O=C([C@@H]1COCCN1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001649045705 1257971275 /nfs/dbraw/zinc/97/12/75/1257971275.db2.gz AFCHHBSWZXXHRY-INIZCTEOSA-N -1 3 338.835 2.701 10 30 EFEEHM CCCCN([O-])C(=O)CCN1C(=S)N=NC1c1ccc(C)cc1 ZINC001649056851 1258057354 /nfs/dbraw/zinc/05/73/54/1258057354.db2.gz IOSIPESAHHICKT-UHFFFAOYSA-N -1 3 334.445 2.950 10 30 EFEEHM C=CCCC1(C[N-]S(=O)(=O)c2c(C)nn3cccnc23)CCCC1 ZINC001212483677 1264362223 /nfs/dbraw/zinc/36/22/23/1264362223.db2.gz ZMKKWSYUDZSMPS-UHFFFAOYSA-N -1 3 348.472 2.843 10 30 EFEEHM CSc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000791772241 1278318624 /nfs/dbraw/zinc/31/86/24/1278318624.db2.gz OGJMZNPBDSVRSM-LLVKDONJSA-N -1 3 348.815 2.757 10 30 EFEEHM N#Cc1cc(COC(=O)c2cccc(Br)c2[O-])ccn1 ZINC000747049537 1278449109 /nfs/dbraw/zinc/44/91/09/1278449109.db2.gz BIVKECTUODRSNO-UHFFFAOYSA-N -1 3 333.141 2.778 10 30 EFEEHM COc1ccccc1[C@]1(C)C[C@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000741464021 1269540684 /nfs/dbraw/zinc/54/06/84/1269540684.db2.gz JYMKYCUFTOTEPT-LBKSDEGDSA-N -1 3 326.396 2.746 10 30 EFEEHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(OC)c1 ZINC000743448222 1270582898 /nfs/dbraw/zinc/58/28/98/1270582898.db2.gz FMURDBFGUPVQHT-UHFFFAOYSA-N -1 3 346.452 2.971 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000820126715 1277037250 /nfs/dbraw/zinc/03/72/50/1277037250.db2.gz FQYVSBGZMVUKFY-ZNMIVQPWSA-N -1 3 336.819 2.720 10 30 EFEEHM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1F ZINC000820174711 1277060332 /nfs/dbraw/zinc/06/03/32/1277060332.db2.gz LZZBKXBFTLYSEJ-MRXNPFEDSA-N -1 3 346.333 2.660 10 30 EFEEHM Cc1cccc(Oc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820180100 1277061509 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EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000805147058 1280457098 /nfs/dbraw/zinc/45/70/98/1280457098.db2.gz QQASFFGJTSFEBA-GFCCVEGCSA-N -1 3 344.820 2.883 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000805147485 1280458446 /nfs/dbraw/zinc/45/84/46/1280458446.db2.gz YMDBSVDWPCPKPI-LBPRGKRZSA-N -1 3 348.237 2.914 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2cc3ccccc3[nH]c2=O)c1 ZINC001171255253 1280568658 /nfs/dbraw/zinc/56/86/58/1280568658.db2.gz DAJYSKNIBZZRNN-UHFFFAOYSA-N -1 3 333.347 2.855 10 30 EFEEHM N#Cc1ccnc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1 ZINC000806850313 1281157909 /nfs/dbraw/zinc/15/79/09/1281157909.db2.gz WHZGQXSVUZLYRP-UHFFFAOYSA-N -1 3 325.328 2.863 10 30 EFEEHM COc1cccc2c(C(=O)OCc3ccc(OC)c(C#N)c3)n[n-]c21 ZINC000808674235 1281860132 /nfs/dbraw/zinc/86/01/32/1281860132.db2.gz PBCYWGFNIOUJII-UHFFFAOYSA-N -1 3 337.335 2.809 10 30 EFEEHM COc1cccc2c(C(=O)OCc3ccc(OC)c(C#N)c3)[n-]nc21 ZINC000808674235 1281860135 /nfs/dbraw/zinc/86/01/35/1281860135.db2.gz PBCYWGFNIOUJII-UHFFFAOYSA-N -1 3 337.335 2.809 10 30 EFEEHM Cc1ccc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)cc1 ZINC000811186123 1284094781 /nfs/dbraw/zinc/09/47/81/1284094781.db2.gz CXUOFAATTZWDGT-UHFFFAOYSA-N -1 3 335.319 2.979 10 30 EFEEHM Cc1ncc(CO)c(C=Nc2ccc(NC(=O)C(C)C)cc2)c1[O-] ZINC000747712740 1284303036 /nfs/dbraw/zinc/30/30/36/1284303036.db2.gz FKBYLPKJAYXZLF-UHFFFAOYSA-N -1 3 327.384 2.933 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C\Br ZINC000813928722 1286194891 /nfs/dbraw/zinc/19/48/91/1286194891.db2.gz LSDBKOXNUABVCY-UTCJRWHESA-N -1 3 339.189 2.660 10 30 EFEEHM COCc1nc(Cl)cc(NN=Cc2cc(F)c([O-])c(F)c2)n1 ZINC000814975362 1287197868 /nfs/dbraw/zinc/19/78/68/1287197868.db2.gz CUSJYPADTJZXSU-UHFFFAOYSA-N -1 3 328.706 2.706 10 30 EFEEHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816694005 1288248390 /nfs/dbraw/zinc/24/83/90/1288248390.db2.gz WTOILUPKUUKENL-XVKPBYJWSA-N -1 3 349.239 2.580 10 30 EFEEHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)sc1-c1ccc(F)cc1 ZINC000816695158 1288248228 /nfs/dbraw/zinc/24/82/28/1288248228.db2.gz WOMMRXNPFSZKGO-GFCCVEGCSA-N -1 3 334.372 2.583 10 30 EFEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)C1CCOCC1 ZINC000825667465 1289687171 /nfs/dbraw/zinc/68/71/71/1289687171.db2.gz YCPYMJHJHJEKJZ-CYBMUJFWSA-N -1 3 342.773 2.680 10 30 EFEEHM O=C(c1ccc2c(c1)C(=O)[N-]C2=O)N(O)Cc1cccc2ccccc21 ZINC001184340489 1290449508 /nfs/dbraw/zinc/44/95/08/1290449508.db2.gz NUBJYZPDXVEBIF-UHFFFAOYSA-N -1 3 346.342 2.755 10 30 EFEEHM O=C(c1cc(C(F)(F)F)c[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001184348434 1290450571 /nfs/dbraw/zinc/45/05/71/1290450571.db2.gz OETPOGYNYGNGOI-UHFFFAOYSA-N -1 3 330.237 2.977 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000796098043 1291964810 /nfs/dbraw/zinc/96/48/10/1291964810.db2.gz RDIKHYGTDVXAMB-HNNXBMFYSA-N -1 3 335.375 2.878 10 30 EFEEHM C=CCOCCN1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000879467231 1292148112 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C=CCCC(=O)N1CCCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001490059985 1298506820 /nfs/dbraw/zinc/50/68/20/1298506820.db2.gz XTOLSRPOMCTJTJ-HNNXBMFYSA-N -1 3 330.428 2.859 10 30 EFEEHM C#CCCN(CCOC)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000852751835 1299860905 /nfs/dbraw/zinc/86/09/05/1299860905.db2.gz HLGBFBDDUAADQG-UHFFFAOYSA-N -1 3 325.368 2.553 10 30 EFEEHM CC(=O)c1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1[O-] ZINC000855306447 1300906310 /nfs/dbraw/zinc/90/63/10/1300906310.db2.gz SEODKMVCBJEIMU-FQEVSTJZSA-N -1 3 349.390 2.687 10 30 EFEEHM C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000855494833 1300981806 /nfs/dbraw/zinc/98/18/06/1300981806.db2.gz BSWLCGBIPVZQLC-UHFFFAOYSA-N -1 3 349.402 2.658 10 30 EFEEHM C=CCCO[N-]C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC ZINC000825556795 1301777063 /nfs/dbraw/zinc/77/70/63/1301777063.db2.gz QPXQPSPDPKWFGC-UHFFFAOYSA-N -1 3 331.368 2.667 10 30 EFEEHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1C1CCC1 ZINC000864347752 1302895914 /nfs/dbraw/zinc/89/59/14/1302895914.db2.gz 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ZINC000901173903 1309697203 /nfs/dbraw/zinc/69/72/03/1309697203.db2.gz YHPXUHRIGSEIKT-UHFFFAOYSA-N -1 3 346.456 2.527 10 30 EFEEHM Cc1ccc(N2C[C@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901376525 1310267986 /nfs/dbraw/zinc/26/79/86/1310267986.db2.gz VPSQFSCBXGERTA-OAHLLOKOSA-N -1 3 342.370 2.905 10 30 EFEEHM CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2cccc(OCC#N)c2)O1 ZINC000901604538 1310739688 /nfs/dbraw/zinc/73/96/88/1310739688.db2.gz RQXCTFGFEINQLP-OAHLLOKOSA-N -1 3 338.429 2.678 10 30 EFEEHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H]1CCCC(C)(C)O1 ZINC000901664795 1310847155 /nfs/dbraw/zinc/84/71/55/1310847155.db2.gz XTILTBODNGZJBU-CYBMUJFWSA-N -1 3 337.445 2.689 10 30 EFEEHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901772503 1311025599 /nfs/dbraw/zinc/02/55/99/1311025599.db2.gz LIJRLUOHOJREAC-SNVBAGLBSA-N -1 3 326.727 2.771 10 30 EFEEHM Cc1cnc2c(cccc2S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1 ZINC000901775809 1311028694 /nfs/dbraw/zinc/02/86/94/1311028694.db2.gz XFRREGBUTHOUIO-GFCCVEGCSA-N -1 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RCXCHGBQCZFRPB-GJZGRUSLSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001283403104 1319647812 /nfs/dbraw/zinc/64/78/12/1319647812.db2.gz UGRSQHYABMZFAK-UHFFFAOYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=CCCC(=O)N1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001284069163 1320177190 /nfs/dbraw/zinc/17/71/90/1320177190.db2.gz ADHGWLABHBIIEQ-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001284069160 1320177281 /nfs/dbraw/zinc/17/72/81/1320177281.db2.gz ADHGWLABHBIIEQ-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284347646 1320329919 /nfs/dbraw/zinc/32/99/19/1320329919.db2.gz JJFXBBBZHYMSJE-OAHLLOKOSA-N -1 3 342.439 2.739 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001285308436 1320829044 /nfs/dbraw/zinc/82/90/44/1320829044.db2.gz STIXBNFVLPSQCI-HNNXBMFYSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H]2CCN2C(=O)c2ccccc2[O-])CCCC1 ZINC001285880570 1321123360 /nfs/dbraw/zinc/12/33/60/1321123360.db2.gz RKZUOSNATQSYDQ-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286112015 1321242838 /nfs/dbraw/zinc/24/28/38/1321242838.db2.gz GNXHUUBPQFJEOP-PMACEKPBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)CCC(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001287523218 1321483539 /nfs/dbraw/zinc/48/35/39/1321483539.db2.gz RBPIYUCQHGUCOH-MRXNPFEDSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287994289 1321574520 /nfs/dbraw/zinc/57/45/20/1321574520.db2.gz HXRDIBWJQBDGBM-RDJZCZTQSA-N -1 3 342.439 2.695 10 30 EFEEHM C#CCCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001288471521 1321682414 /nfs/dbraw/zinc/68/24/14/1321682414.db2.gz MDCYSQIHBIPBNE-HOTGVXAUSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001293852031 1322368469 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2.859 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001297305458 1323156502 /nfs/dbraw/zinc/15/65/02/1323156502.db2.gz DELIISAHLQSOHK-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001297917195 1323380014 /nfs/dbraw/zinc/38/00/14/1323380014.db2.gz XOYRWLGTYUEDIN-GOEBONIOSA-N -1 3 344.455 2.961 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001298427741 1323523444 /nfs/dbraw/zinc/52/34/44/1323523444.db2.gz XJWHZURJDVNVLP-OAHLLOKOSA-N -1 3 346.770 2.852 10 30 EFEEHM COc1cc(CCC(=O)[N-]Oc2cccc(C#N)c2)cc(OC)c1 ZINC001302372273 1324575372 /nfs/dbraw/zinc/57/53/72/1324575372.db2.gz XODRLRPSMSYYCD-UHFFFAOYSA-N -1 3 326.352 2.618 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nc2cnccc2s1 ZINC001303483745 1324607461 /nfs/dbraw/zinc/60/74/61/1324607461.db2.gz AYSKFFCWZNJZFZ-UHFFFAOYSA-N -1 3 344.346 2.971 10 30 EFEEHM COC(=O)c1nc(C(=O)N([O-])Cc2ccccc2Cl)cs1 ZINC001306894381 1324729602 /nfs/dbraw/zinc/72/96/02/1324729602.db2.gz KUNRBRGXQXJYEJ-UHFFFAOYSA-N -1 3 326.761 2.615 10 30 EFEEHM CCCCN([O-])C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC001306897150 1324729909 /nfs/dbraw/zinc/72/99/09/1324729909.db2.gz AQHDDQUMJJIAKR-UHFFFAOYSA-N -1 3 344.131 2.833 10 30 EFEEHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309494436 1324870929 /nfs/dbraw/zinc/87/09/29/1324870929.db2.gz RAXOCPJULKKTMV-VIFPVBQESA-N -1 3 346.861 2.555 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309504650 1324872796 /nfs/dbraw/zinc/87/27/96/1324872796.db2.gz CVBPRNLTJWTZQP-ZJUUUORDSA-N -1 3 344.845 2.572 10 30 EFEEHM C=CCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333522882 1331160120 /nfs/dbraw/zinc/16/01/20/1331160120.db2.gz PJCDXWIIGSMBRL-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCCCC(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001333661385 1331190100 /nfs/dbraw/zinc/19/01/00/1331190100.db2.gz GSERRYSYZCXGFY-UHFFFAOYSA-N -1 3 331.463 2.515 10 30 EFEEHM CC#CCCCC(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336954196 1331521096 /nfs/dbraw/zinc/52/10/96/1331521096.db2.gz LCQFNVHSPHQMBD-KRWDZBQOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338387512 1331702295 /nfs/dbraw/zinc/70/22/95/1331702295.db2.gz VVLOTPMWNKBZMY-UONOGXRCSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCn1c(-c2nn(-c3ccccc3)cc2[O-])nnc1N(C)C1CC1 ZINC001338917151 1331756986 /nfs/dbraw/zinc/75/69/86/1331756986.db2.gz AWXUXKJCJGEWER-UHFFFAOYSA-N -1 3 336.399 2.621 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001339209820 1331817963 /nfs/dbraw/zinc/81/79/63/1331817963.db2.gz FOTYARYVOGNZFI-LLVKDONJSA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C)C2(CCC2)C1 ZINC001339209820 1331817969 /nfs/dbraw/zinc/81/79/69/1331817969.db2.gz FOTYARYVOGNZFI-LLVKDONJSA-N -1 3 347.854 2.919 10 30 EFEEHM C#C[C@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001339380768 1331853031 /nfs/dbraw/zinc/85/30/31/1331853031.db2.gz GMSHFXDXIYDGFI-NSHDSACASA-N -1 3 339.424 2.647 10 30 EFEEHM C#CCCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001339654945 1331921820 /nfs/dbraw/zinc/92/18/20/1331921820.db2.gz KNWPCCRAKZOPRU-HOTGVXAUSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([O-])c1F ZINC001346949603 1332706401 /nfs/dbraw/zinc/70/64/01/1332706401.db2.gz ZVQXCCUZJFPYLB-LBPRGKRZSA-N -1 3 336.363 2.777 10 30 EFEEHM C=CCCCCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000847412900 1333676661 /nfs/dbraw/zinc/67/66/61/1333676661.db2.gz DCFJTNNTEBMVKW-ZDUSSCGKSA-N -1 3 349.397 2.833 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001353203021 1334009477 /nfs/dbraw/zinc/00/94/77/1334009477.db2.gz GKURLVVARXDQHX-HNAYVOBHSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCCC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001354181149 1334152217 /nfs/dbraw/zinc/15/22/17/1334152217.db2.gz NZIDJXPQAYJQQQ-UHFFFAOYSA-N -1 3 342.439 2.743 10 30 EFEEHM C=C[C@@H](C(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001354449299 1334309115 /nfs/dbraw/zinc/30/91/15/1334309115.db2.gz YAGVKJSLCHNPKZ-GDBMZVCRSA-N -1 3 338.407 2.597 10 30 EFEEHM C=C[C@H](C(=O)NC[C@H](C)NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001354449304 1334309892 /nfs/dbraw/zinc/30/98/92/1334309892.db2.gz YAGVKJSLCHNPKZ-HOCLYGCPSA-N -1 3 338.407 2.597 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@H](CNC(=O)c3ccccc3[O-])C2)CCC1 ZINC001354936656 1334603026 /nfs/dbraw/zinc/60/30/26/1334603026.db2.gz CKWDNCMALOYWLP-OAHLLOKOSA-N -1 3 342.439 2.717 10 30 EFEEHM C=CCCCC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001354974401 1334625609 /nfs/dbraw/zinc/62/56/09/1334625609.db2.gz GTMQQKUNCXFWAW-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM CC(=NNCCCn1ccnc1)c1ccc(Br)cc1[O-] ZINC000848417637 1334714038 /nfs/dbraw/zinc/71/40/38/1334714038.db2.gz CJGMKSVYCKSHLU-UHFFFAOYSA-N -1 3 337.221 2.755 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001355977186 1334923292 /nfs/dbraw/zinc/92/32/92/1334923292.db2.gz PWCBAWSXAWNLBE-QWRGUYRKSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001355977186 1334923293 /nfs/dbraw/zinc/92/32/93/1334923293.db2.gz PWCBAWSXAWNLBE-QWRGUYRKSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703388 1335114061 /nfs/dbraw/zinc/11/40/61/1335114061.db2.gz JYJZFDWWCXGSPV-YWZLYKJASA-N -1 3 344.455 2.915 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001356717199 1335120841 /nfs/dbraw/zinc/12/08/41/1335120841.db2.gz OLVZXLZQFHZGPJ-HZPDHXFCSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCCC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356860502 1335175270 /nfs/dbraw/zinc/17/52/70/1335175270.db2.gz HLBLJGUJCFMWNS-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCC(CC=C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CC1 ZINC001358665142 1335434441 /nfs/dbraw/zinc/43/44/41/1335434441.db2.gz PLUJYNYVOCRERX-UHFFFAOYSA-N -1 3 328.412 2.539 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000849412183 1335609978 /nfs/dbraw/zinc/60/99/78/1335609978.db2.gz HOGNCWADEAFXFQ-NEPJUHHUSA-N -1 3 331.869 2.795 10 30 EFEEHM COC(=O)c1oc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)cc1C ZINC001361570689 1336189383 /nfs/dbraw/zinc/18/93/83/1336189383.db2.gz GSCNVHPYGBPKAA-UHFFFAOYSA-N -1 3 339.351 2.772 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nocc1C1CC1 ZINC001361637171 1336235945 /nfs/dbraw/zinc/23/59/45/1336235945.db2.gz PCZJUILYQWOTPN-UHFFFAOYSA-N -1 3 326.356 2.712 10 30 EFEEHM CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc([O-])ccc1Cl ZINC001362646334 1336689316 /nfs/dbraw/zinc/68/93/16/1336689316.db2.gz FJYJXZKXXAFADH-MRXNPFEDSA-N -1 3 330.771 2.723 10 30 EFEEHM C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001363640560 1336968328 /nfs/dbraw/zinc/96/83/28/1336968328.db2.gz KNBMCJYLYHCLDD-GXSJLCMTSA-N -1 3 337.305 2.698 10 30 EFEEHM C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001363640574 1336968410 /nfs/dbraw/zinc/96/84/10/1336968410.db2.gz KNBMCJYLYHCLDD-ONGXEEELSA-N -1 3 337.305 2.698 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)[n-]n1 ZINC001363714760 1337008063 /nfs/dbraw/zinc/00/80/63/1337008063.db2.gz STYAIYAPMJXMDN-UHFFFAOYSA-N -1 3 340.383 2.763 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C(C)(C)c2ccc(C#N)cc2)n[n-]1 ZINC001363714760 1337008067 /nfs/dbraw/zinc/00/80/67/1337008067.db2.gz STYAIYAPMJXMDN-UHFFFAOYSA-N -1 3 340.383 2.763 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(C#N)CC(C)C3)nc21 ZINC001363904089 1337107274 /nfs/dbraw/zinc/10/72/74/1337107274.db2.gz XTOZZVQTCWBGMR-UHFFFAOYSA-N -1 3 326.356 2.618 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@@H](CC)CNC(=O)c1ccccc1[O-] ZINC001416179333 1371887343 /nfs/dbraw/zinc/88/73/43/1371887343.db2.gz CSFORGHHIDVJEU-LBPRGKRZSA-N -1 3 338.835 2.796 10 30 EFEEHM C#Cc1cccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)c1 ZINC001440338783 1389545434 /nfs/dbraw/zinc/54/54/34/1389545434.db2.gz RBBZHEBLQJWBIE-UHFFFAOYSA-N -1 3 348.811 2.945 10 30 EFEEHM CCc1ccc(C#CC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001456391296 1394681542 /nfs/dbraw/zinc/68/15/42/1394681542.db2.gz HDXTUCTYZHJBKQ-JTQLQIEISA-N -1 3 336.317 2.615 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C3(C#N)CC4(CC4)C3)nc21 ZINC001456991652 1394911126 /nfs/dbraw/zinc/91/11/26/1394911126.db2.gz JRRCCYYIQSEKTE-UHFFFAOYSA-N -1 3 338.367 2.762 10 30 EFEEHM CN(C)c1cnc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC001457991898 1395394116 /nfs/dbraw/zinc/39/41/16/1395394116.db2.gz APYCLIUNTXQFBT-UHFFFAOYSA-N -1 3 341.198 2.881 10 30 EFEEHM C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC001458004326 1395396422 /nfs/dbraw/zinc/39/64/22/1395396422.db2.gz RWXZKIHJGPTJLK-GFCCVEGCSA-N -1 3 332.400 2.573 10 30 EFEEHM Cc1[n-][nH]c(=O)c1CCNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001458193342 1395422433 /nfs/dbraw/zinc/42/24/33/1395422433.db2.gz XFCKGLKDCZVURC-VIFPVBQESA-N -1 3 328.269 2.640 10 30 EFEEHM C[C@H](Nc1c(F)c(F)nc(F)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001458642941 1395535213 /nfs/dbraw/zinc/53/52/13/1395535213.db2.gz SRAVYBZKLNEBGR-REOHCLBHSA-N -1 3 329.179 2.948 10 30 EFEEHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nnc2ccccn21 ZINC001463996257 1396537138 /nfs/dbraw/zinc/53/71/38/1396537138.db2.gz PCFJLPCHYLNFKJ-NSHDSACASA-N -1 3 341.321 2.570 10 30 EFEEHM C=C(C)CO[N-]C(=O)/C=C\c1ccc(I)o1 ZINC001469741067 1397053307 /nfs/dbraw/zinc/05/33/07/1397053307.db2.gz DLPRQCWZUQEVQZ-XQRVVYSFSA-N -1 3 333.125 2.521 10 30 EFEEHM C#CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC001475617961 1397442017 /nfs/dbraw/zinc/44/20/17/1397442017.db2.gz KBYVLZNPIFCGPQ-UHFFFAOYSA-N -1 3 334.260 2.735 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001493562252 1398753919 /nfs/dbraw/zinc/75/39/19/1398753919.db2.gz IRBXEFDMBAKHFA-OAHLLOKOSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCC(=O)N1CCC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001494130046 1399152651 /nfs/dbraw/zinc/15/26/51/1399152651.db2.gz JGEGZDOXWSXBDY-DOTOQJQBSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494307524 1399271841 /nfs/dbraw/zinc/27/18/41/1399271841.db2.gz GTTWWMPMFMZLDG-YWZLYKJASA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001497204252 1401217836 /nfs/dbraw/zinc/21/78/36/1401217836.db2.gz NSRRPOWRZWRJPA-HNNXBMFYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CCCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001505457828 1404670687 /nfs/dbraw/zinc/67/06/87/1404670687.db2.gz OHCXTMUCQUJWME-GDBMZVCRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)CCC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001508646259 1407589587 /nfs/dbraw/zinc/58/95/87/1407589587.db2.gz XFPJVIHTQRNZAF-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C#CCCCC(=O)N1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001509336769 1407915744 /nfs/dbraw/zinc/91/57/44/1407915744.db2.gz AHCKEIRZYWEYGG-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001510395474 1412662547 /nfs/dbraw/zinc/66/25/47/1412662547.db2.gz ZGJQRFXMVLDLSB-HNNXBMFYSA-N -1 3 330.428 2.571 10 30 EFEEHM C[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCCN1C(=O)C#CC(C)(C)C ZINC001511355592 1412989935 /nfs/dbraw/zinc/98/99/35/1412989935.db2.gz MNDPVCPWZROQEZ-ZBFHGGJFSA-N -1 3 342.439 2.551 10 30 EFEEHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@@H]1CCN([O-])C1=O ZINC001556750288 1415086519 /nfs/dbraw/zinc/08/65/19/1415086519.db2.gz FUNSBJDIMZSKCB-OAHLLOKOSA-N -1 3 348.443 2.558 10 30 EFEEHM N#Cc1ccccc1C=CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558728512 1415197775 /nfs/dbraw/zinc/19/77/75/1415197775.db2.gz DODYMMGUROFTDQ-NCTWQCQDSA-N -1 3 348.406 2.910 10 30 EFEEHM CCCCN([O-])C(=O)Cc1ccccc1I ZINC001559035302 1415219575 /nfs/dbraw/zinc/21/95/75/1415219575.db2.gz KZWUKLBZADFDCJ-UHFFFAOYSA-N -1 3 333.169 2.852 10 30 EFEEHM CN1CCCC[C@@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1=O ZINC001559030961 1415219888 /nfs/dbraw/zinc/21/98/88/1415219888.db2.gz NDAZYFUKSXGDIQ-CYBMUJFWSA-N -1 3 345.226 2.970 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001687655821 1416851676 /nfs/dbraw/zinc/85/16/76/1416851676.db2.gz CDXLQFHAEOFPOM-NVXWUHKLSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C1CC(C)(C(=O)NCCCN(C(=O)c2ccccc2[O-])C2CC2)C1 ZINC001687856112 1416888364 /nfs/dbraw/zinc/88/83/64/1416888364.db2.gz VDYLJDONILHTTM-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001701316841 1417713246 /nfs/dbraw/zinc/71/32/46/1417713246.db2.gz GLYBRBLGHKBWGC-DJJJIMSYSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001701321219 1417715771 /nfs/dbraw/zinc/71/57/71/1417715771.db2.gz JBKPBRDBNRUCIF-ZDUSSCGKSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704473579 1417955432 /nfs/dbraw/zinc/95/54/32/1417955432.db2.gz YYBCNIOOBAYAOQ-HNNXBMFYSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001718286230 1422181795 /nfs/dbraw/zinc/18/17/95/1422181795.db2.gz UVAVSNGZNSBKCM-KBPBESRZSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001718833622 1422490353 /nfs/dbraw/zinc/49/03/53/1422490353.db2.gz NNUVELSFJCCCAD-WLYUNCDWSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001719397681 1422703026 /nfs/dbraw/zinc/70/30/26/1422703026.db2.gz QESZDEUTZDEUIE-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720351129 1422867862 /nfs/dbraw/zinc/86/78/62/1422867862.db2.gz AWPJIJLFDGOVLN-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001720853508 1423250243 /nfs/dbraw/zinc/25/02/43/1423250243.db2.gz YFVNOYAVCOIIJA-HNNXBMFYSA-N -1 3 342.439 2.717 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001721688073 1423929286 /nfs/dbraw/zinc/92/92/86/1423929286.db2.gz POFYNNVNISXYJV-BEFAXECRSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H](C)N(C)C(=O)c2ccccc2[O-])CCC1 ZINC001726011779 1426028501 /nfs/dbraw/zinc/02/85/01/1426028501.db2.gz CEJNOFQOOIKXCB-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC1(C(=O)NC[C@H](C)N(C)C(=O)c2ccccc2[O-])CCC1 ZINC001726011777 1426028871 /nfs/dbraw/zinc/02/88/71/1426028871.db2.gz CEJNOFQOOIKXCB-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM Cc1cc([O-])c(CN2CCN(c3ncccc3C#N)CC2)c(Cl)c1 ZINC000840909990 720825378 /nfs/dbraw/zinc/82/53/78/720825378.db2.gz OFBCAXSUYQDCTO-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM COc1ccc(CNC(=S)NN=C(C)c2ccc([O-])c(F)c2)cc1 ZINC000728427655 724013116 /nfs/dbraw/zinc/01/31/16/724013116.db2.gz HDLHMZBKWOFVFV-UHFFFAOYSA-N -1 3 347.415 2.928 10 30 EFEEHM O=C1c2cccc([O-])c2C/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000025889942 724050152 /nfs/dbraw/zinc/05/01/52/724050152.db2.gz ZDHNGHKZVPOBNM-WMZJFQQLSA-N -1 3 325.276 2.852 10 30 EFEEHM C=CCCC[C@@H](C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccccc1 ZINC000908232603 727137501 /nfs/dbraw/zinc/13/75/01/727137501.db2.gz POMPBPALIDFHDP-QGZVFWFLSA-N -1 3 327.428 2.899 10 30 EFEEHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908751970 727256670 /nfs/dbraw/zinc/25/66/70/727256670.db2.gz IBJJVNWAVROLNN-IRXDYDNUSA-N -1 3 347.459 2.570 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751461 727256736 /nfs/dbraw/zinc/25/67/36/727256736.db2.gz MCSHUGVAQUZRCG-SJORKVTESA-N -1 3 345.443 2.542 10 30 EFEEHM O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000911854174 727612225 /nfs/dbraw/zinc/61/22/25/727612225.db2.gz ILKAIGCMTAPYFB-GFCCVEGCSA-N -1 3 349.312 2.502 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=CC12CCCC2 ZINC000913196063 727795717 /nfs/dbraw/zinc/79/57/17/727795717.db2.gz UFEQTZTWENBYLQ-UHFFFAOYSA-N -1 3 325.412 2.920 10 30 EFEEHM O=C1CN(N=Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)[N-]1 ZINC000920368995 729176835 /nfs/dbraw/zinc/17/68/35/729176835.db2.gz GGOGMLNDXDMJOV-UHFFFAOYSA-N -1 3 337.257 2.851 10 30 EFEEHM CN(CC(C)(C)CNC(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001571788572 1087124603 /nfs/dbraw/zinc/12/46/03/1087124603.db2.gz PASDAFXZKYABIJ-UHFFFAOYSA-N -1 3 344.455 2.656 10 30 EFEEHM CN(CC(C)(C)CNC(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001571792336 1087127811 /nfs/dbraw/zinc/12/78/11/1087127811.db2.gz NIEZTTXTHIDACD-UHFFFAOYSA-N -1 3 344.455 2.656 10 30 EFEEHM C=C[C@H](CC)CC(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001571987677 1087246341 /nfs/dbraw/zinc/24/63/41/1087246341.db2.gz QUVSUTYEVXCTRM-PBHICJAKSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001572030269 1087266506 /nfs/dbraw/zinc/26/65/06/1087266506.db2.gz GLWHPHPKTXFZJT-HUUCEWRRSA-N -1 3 330.428 2.906 10 30 EFEEHM C#CCCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001572407620 1087459476 /nfs/dbraw/zinc/45/94/76/1087459476.db2.gz ZOFFDLWUKYXBRN-JKSUJKDBSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001577709657 1090142339 /nfs/dbraw/zinc/14/23/39/1090142339.db2.gz YCTYQIHKIDRBHV-CABCVRRESA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCCC(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001582321335 1091439303 /nfs/dbraw/zinc/43/93/03/1091439303.db2.gz CCNZMDDEEOUEJM-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001582887450 1091758004 /nfs/dbraw/zinc/75/80/04/1091758004.db2.gz PAVJCZJSKGLUOL-NVXWUHKLSA-N -1 3 342.439 2.553 10 30 EFEEHM CCC[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC001651221124 1093540891 /nfs/dbraw/zinc/54/08/91/1093540891.db2.gz ORIDIHRDGBYWLH-AWEZNQCLSA-N -1 3 346.427 2.963 10 30 EFEEHM CCCCCCN([O-])C(=O)C1(n2cc(Br)cn2)CC1 ZINC001651229603 1093541877 /nfs/dbraw/zinc/54/18/77/1093541877.db2.gz SINSIEGLZKVNNY-UHFFFAOYSA-N -1 3 330.226 2.933 10 30 EFEEHM COc1ccc(COCC(=O)N([O-])CCCCc2ccccc2)cn1 ZINC001651227665 1093542292 /nfs/dbraw/zinc/54/22/92/1093542292.db2.gz QYIKDRFWZISBIH-UHFFFAOYSA-N -1 3 344.411 2.848 10 30 EFEEHM C=C[C@@H](COC)[N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1 ZINC001211604976 1093566396 /nfs/dbraw/zinc/56/63/96/1093566396.db2.gz DRBRQMRINPAGRY-ZDUSSCGKSA-N -1 3 338.454 2.598 10 30 EFEEHM N#C[C@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)C1CCCC1 ZINC001596434066 1094531335 /nfs/dbraw/zinc/53/13/35/1094531335.db2.gz HRHFWWFMFBFFKQ-AWEZNQCLSA-N -1 3 345.353 2.693 10 30 EFEEHM N#Cc1cccnc1NCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001597738406 1094619122 /nfs/dbraw/zinc/61/91/22/1094619122.db2.gz IQILMQXPHZGAER-UHFFFAOYSA-N -1 3 338.392 2.715 10 30 EFEEHM CCC(CC)[C@@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611649104 1099025860 /nfs/dbraw/zinc/02/58/60/1099025860.db2.gz VYRXATQANOZTCE-CYBMUJFWSA-N -1 3 346.427 2.963 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H](c1ccccc1F)N1CCOCC1 ZINC001611655769 1099027316 /nfs/dbraw/zinc/02/73/16/1099027316.db2.gz QIBORGMVUKTZGN-QGZVFWFLSA-N -1 3 338.423 2.997 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC001622657980 1099533435 /nfs/dbraw/zinc/53/34/35/1099533435.db2.gz NDALAUOROQGZJD-UHFFFAOYSA-N -1 3 339.642 2.740 10 30 EFEEHM C#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)cc1F ZINC001627268754 1099975801 /nfs/dbraw/zinc/97/58/01/1099975801.db2.gz PUUDWBWZJJKSMQ-CQSZACIVSA-N -1 3 345.761 2.956 10 30 EFEEHM C#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)cc1 ZINC001629255974 1100187961 /nfs/dbraw/zinc/18/79/61/1100187961.db2.gz DPZDGZBXJAVPQR-CQSZACIVSA-N -1 3 327.771 2.817 10 30 EFEEHM Cc1ccc(C(=O)C=CC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001631713237 1100422054 /nfs/dbraw/zinc/42/20/54/1100422054.db2.gz GEMMUHPRGODMER-KHPPLWFESA-N -1 3 333.351 2.553 10 30 EFEEHM Cc1ccc(C(=O)C=CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001631713237 1100422056 /nfs/dbraw/zinc/42/20/56/1100422056.db2.gz GEMMUHPRGODMER-KHPPLWFESA-N -1 3 333.351 2.553 10 30 EFEEHM C=CC[C@H](C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001633694896 1100559580 /nfs/dbraw/zinc/55/95/80/1100559580.db2.gz LRMJMQLDPONDJG-VIFPVBQESA-N -1 3 335.201 2.985 10 30 EFEEHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001634216402 1100591594 /nfs/dbraw/zinc/59/15/94/1100591594.db2.gz XBTZGZMZVGXAQK-APPDUMDISA-N -1 3 346.814 2.893 10 30 EFEEHM C=CCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OCC ZINC001635698734 1100674846 /nfs/dbraw/zinc/67/48/46/1100674846.db2.gz NYHQLXUWTSBVME-OAHLLOKOSA-N -1 3 337.391 2.868 10 30 EFEEHM COc1ccc([O-])c(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 ZINC001636093450 1100700640 /nfs/dbraw/zinc/70/06/40/1100700640.db2.gz RCGDEWIZXZTXIT-UHFFFAOYSA-N -1 3 348.362 2.770 10 30 EFEEHM CC(C)(C)c1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(O)c(C(C)(C)C)c1 ZINC001636352999 1100714981 /nfs/dbraw/zinc/71/49/81/1100714981.db2.gz PXMRRIDSRYFNKP-CQSZACIVSA-N -1 3 348.443 2.707 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1sc2cccc(Cl)c2c1Cl ZINC001637457568 1100784125 /nfs/dbraw/zinc/78/41/25/1100784125.db2.gz BQUQNOKDHUGBBK-SSDOTTSWSA-N -1 3 345.207 2.928 10 30 EFEEHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001637667488 1100797706 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EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCSCC3)c(F)c1 ZINC000565826017 319006566 /nfs/dbraw/zinc/00/65/66/319006566.db2.gz OBOMVKDAEYVCIB-LBPRGKRZSA-N -1 3 340.445 2.509 10 30 EFEEHM CCCCn1c(SCc2ccc(C#N)cc2[N+](=O)[O-])n[n-]c1=O ZINC000567506295 319179127 /nfs/dbraw/zinc/17/91/27/319179127.db2.gz KGODHVHDJQHIBS-UHFFFAOYSA-N -1 3 333.373 2.856 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000515468717 467993414 /nfs/dbraw/zinc/99/34/14/467993414.db2.gz SKXJNTQZSYYBIK-WFASDCNBSA-N -1 3 326.400 2.810 10 30 EFEEHM N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](c3cc(=O)[n-]c(N)n3)C2)c1 ZINC000600879458 468674346 /nfs/dbraw/zinc/67/43/46/468674346.db2.gz JMRCKFIOMWDPIG-JTQLQIEISA-N -1 3 349.316 2.649 10 30 EFEEHM N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](c3cc(=O)[n-]c(N)n3)C2)c1 ZINC000600879459 468674598 /nfs/dbraw/zinc/67/45/98/468674598.db2.gz JMRCKFIOMWDPIG-SNVBAGLBSA-N -1 3 349.316 2.649 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000625328473 479869019 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EFEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)Cc2ccc(F)cc2C#N)n1 ZINC000451160894 477854588 /nfs/dbraw/zinc/85/45/88/477854588.db2.gz GLTOPKHJJNYIHL-JTQLQIEISA-N -1 3 339.417 2.643 10 30 EFEEHM COc1c2ccccc2oc1C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000530388555 477882224 /nfs/dbraw/zinc/88/22/24/477882224.db2.gz DSEOTPPZYIBNGD-UHFFFAOYSA-N -1 3 348.424 2.945 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2ccc(C)cc2)no1 ZINC000532107053 477918619 /nfs/dbraw/zinc/91/86/19/477918619.db2.gz UDXRHGFPLYUJNT-UHFFFAOYSA-N -1 3 329.385 2.820 10 30 EFEEHM N#C[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(Br)cc1 ZINC000471700739 478008629 /nfs/dbraw/zinc/00/86/29/478008629.db2.gz DAXOFKIHDUWMDC-SECBINFHSA-N -1 3 338.186 2.606 10 30 EFEEHM C[C@@H](C#N)C[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000560039071 478016653 /nfs/dbraw/zinc/01/66/53/478016653.db2.gz PITDFKKOUFJQDL-ZETCQYMHSA-N -1 3 337.626 2.540 10 30 EFEEHM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1nnc2n1CCCCC2 ZINC000533087124 478032413 /nfs/dbraw/zinc/03/24/13/478032413.db2.gz 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ZINC000600650386 478456477 /nfs/dbraw/zinc/45/64/77/478456477.db2.gz JIAJXKGWEPYQKM-MRXNPFEDSA-N -1 3 337.445 2.547 10 30 EFEEHM N#CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594771623 478536822 /nfs/dbraw/zinc/53/68/22/478536822.db2.gz IZEOYFXDYBROPK-UHFFFAOYSA-N -1 3 337.626 2.685 10 30 EFEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000594801871 478546259 /nfs/dbraw/zinc/54/62/59/478546259.db2.gz UJICZLBGGHEWSE-LBPRGKRZSA-N -1 3 342.848 2.695 10 30 EFEEHM CCc1ncc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594813189 478548151 /nfs/dbraw/zinc/54/81/51/478548151.db2.gz OCYKGMVFUWLZKO-UHFFFAOYSA-N -1 3 335.454 2.791 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccccn1 ZINC000597865286 478549965 /nfs/dbraw/zinc/54/99/65/478549965.db2.gz RGHQRYAYYIZUSL-GFCCVEGCSA-N -1 3 338.411 2.523 10 30 EFEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccccc1F ZINC000594829865 478554171 /nfs/dbraw/zinc/55/41/71/478554171.db2.gz BOWRPZCTBSMASF-MRXNPFEDSA-N -1 3 333.388 2.768 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(F)F ZINC000594856904 478563226 /nfs/dbraw/zinc/56/32/26/478563226.db2.gz KNDMZKAEBDOHBE-GFCCVEGCSA-N -1 3 334.775 2.925 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594869234 478567494 /nfs/dbraw/zinc/56/74/94/478567494.db2.gz BNUBXQZQHPIRDC-UHFFFAOYSA-N -1 3 344.358 2.944 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@]1(C)CC1(F)F ZINC000598217091 478708191 /nfs/dbraw/zinc/70/81/91/478708191.db2.gz XBEGHEPPWZVZEA-MRXNPFEDSA-N -1 3 337.370 2.760 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](CCF)C1 ZINC000598218816 478710170 /nfs/dbraw/zinc/71/01/70/478710170.db2.gz DMLPXEJRBBVHMN-AWEZNQCLSA-N -1 3 333.407 2.807 10 30 EFEEHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000543639021 478763017 /nfs/dbraw/zinc/76/30/17/478763017.db2.gz XXMGCUCNBSOIGR-UHFFFAOYSA-N -1 3 326.727 2.939 10 30 EFEEHM CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@@H](C)C#N ZINC000598358581 478786085 /nfs/dbraw/zinc/78/60/85/478786085.db2.gz GVUBFJGDMQDWMC-VIFPVBQESA-N -1 3 348.200 2.665 10 30 EFEEHM N#CC1(C(=O)NCc2ccc([O-])c(Br)c2)CC2(CC2)C1 ZINC000601342203 478795336 /nfs/dbraw/zinc/79/53/36/478795336.db2.gz TXZIVQLHDRENSV-UHFFFAOYSA-N -1 3 335.201 2.855 10 30 EFEEHM CCc1csc([C@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000601443611 478835448 /nfs/dbraw/zinc/83/54/48/478835448.db2.gz TVTCFJGVKVDQIF-NSHDSACASA-N -1 3 327.475 2.770 10 30 EFEEHM C=CCCSCC[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000601463711 478843524 /nfs/dbraw/zinc/84/35/24/478843524.db2.gz MAFVKPGKFUOPOT-UHFFFAOYSA-N -1 3 336.460 2.552 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000601502062 478854148 /nfs/dbraw/zinc/85/41/48/478854148.db2.gz SDESQFVKRUKFNN-ZDUSSCGKSA-N -1 3 347.383 2.551 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC000601528061 478864537 /nfs/dbraw/zinc/86/45/37/478864537.db2.gz ZHZOQOBGZNJLJU-LBPRGKRZSA-N -1 3 347.827 2.615 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000545094573 478885040 /nfs/dbraw/zinc/88/50/40/478885040.db2.gz YCCWJRPVRMYXBH-MFKMUULPSA-N -1 3 342.399 2.726 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCO[C@H](C)C2)no1 ZINC000545094575 478885133 /nfs/dbraw/zinc/88/51/33/478885133.db2.gz YCCWJRPVRMYXBH-ZWNOBZJWSA-N -1 3 342.399 2.726 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCO[C@@H](C)C2)no1 ZINC000545094571 478885400 /nfs/dbraw/zinc/88/54/00/478885400.db2.gz YCCWJRPVRMYXBH-GWCFXTLKSA-N -1 3 342.399 2.726 10 30 EFEEHM N#CC1(CC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)CCOCC1 ZINC000598682559 478968577 /nfs/dbraw/zinc/96/85/77/478968577.db2.gz SAXMHQFQDLCHRM-UHFFFAOYSA-N -1 3 344.802 2.801 10 30 EFEEHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1[C@@H]1CCOC1 ZINC000528913690 478985150 /nfs/dbraw/zinc/98/51/50/478985150.db2.gz CYZCECGFTLEXEI-NVXWUHKLSA-N -1 3 338.411 2.963 10 30 EFEEHM C=C(C)C[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)OC ZINC000601780746 479001099 /nfs/dbraw/zinc/00/10/99/479001099.db2.gz CFLAPCAOTFMQRB-LBPRGKRZSA-N -1 3 331.290 2.649 10 30 EFEEHM CN(C(=O)Cc1ccc(Br)cc1[O-])[C@H]1CCC[C@H]1C#N ZINC000601817553 479018908 /nfs/dbraw/zinc/01/89/08/479018908.db2.gz JJZKGCLMHZUBKG-AAEUAGOBSA-N -1 3 337.217 2.848 10 30 EFEEHM CCOc1ccc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)nc1C ZINC000596049856 479108129 /nfs/dbraw/zinc/10/81/29/479108129.db2.gz HBNIRCNPVVSGRP-UHFFFAOYSA-N -1 3 345.424 2.797 10 30 EFEEHM C=CCN(Cc1ccc(Cl)s1)C(=O)N=c1cc(OC)n(C)[n-]1 ZINC000547838781 479121421 /nfs/dbraw/zinc/12/14/21/479121421.db2.gz AMPOHGMLYYUMRS-UHFFFAOYSA-N -1 3 340.836 2.786 10 30 EFEEHM N#Cc1ccccc1NC1CCN(c2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000599107128 479162844 /nfs/dbraw/zinc/16/28/44/479162844.db2.gz ZPXFOPHVHZRIJD-UHFFFAOYSA-N -1 3 339.355 2.648 10 30 EFEEHM N#Cc1cc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)ccn1 ZINC000610994154 479254321 /nfs/dbraw/zinc/25/43/21/479254321.db2.gz OLDQMCIUHLUITF-UHFFFAOYSA-N -1 3 336.395 2.510 10 30 EFEEHM Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)CO2 ZINC000599375104 479275017 /nfs/dbraw/zinc/27/50/17/479275017.db2.gz KWCUPAMPGLZWSH-OAHLLOKOSA-N -1 3 348.468 2.692 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593363083 479311904 /nfs/dbraw/zinc/31/19/04/479311904.db2.gz ISESSMAWKJTZMK-UHFFFAOYSA-N -1 3 346.390 2.622 10 30 EFEEHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000574637449 479321158 /nfs/dbraw/zinc/32/11/58/479321158.db2.gz CCAKBYKXSACRJL-INIZCTEOSA-N -1 3 337.445 2.547 10 30 EFEEHM Cc1cccc(OC[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593534732 479379824 /nfs/dbraw/zinc/37/98/24/479379824.db2.gz RLLUJCIVCROTJH-GFCCVEGCSA-N -1 3 336.438 2.674 10 30 EFEEHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593536919 479380847 /nfs/dbraw/zinc/38/08/47/479380847.db2.gz WYQARVZXUFZISU-AWEZNQCLSA-N -1 3 349.481 2.509 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000593558179 479386975 /nfs/dbraw/zinc/38/69/75/479386975.db2.gz FZIZOPJICSYUGW-XMZIXOGTSA-N -1 3 348.449 2.851 10 30 EFEEHM COc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593562508 479388110 /nfs/dbraw/zinc/38/81/10/479388110.db2.gz MXKLPRPJCLSWBL-LBPRGKRZSA-N -1 3 334.422 2.594 10 30 EFEEHM CC1(C[N-]S(=O)(=O)c2ccsc2C#N)Cc2ccccc2C1 ZINC000593572190 479390502 /nfs/dbraw/zinc/39/05/02/479390502.db2.gz KZCZFAPWLAMTOI-UHFFFAOYSA-N -1 3 332.450 2.703 10 30 EFEEHM CCO[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593589429 479395314 /nfs/dbraw/zinc/39/53/14/479395314.db2.gz SSDNXQJBVHXBFD-CYBMUJFWSA-N -1 3 336.438 2.676 10 30 EFEEHM CCCc1ccc(-c2cc(=NC(=O)c3cccc(C#N)n3)[nH][n-]2)cc1 ZINC000589323802 479514070 /nfs/dbraw/zinc/51/40/70/479514070.db2.gz NNSHIQDPVUAOAH-UHFFFAOYSA-N -1 3 331.379 2.970 10 30 EFEEHM N#Cc1cc(-c2cccc(OCCN3CCC(O)CC3)c2)ccc1[O-] ZINC000593955123 479519598 /nfs/dbraw/zinc/51/95/98/479519598.db2.gz YCQDVOVXYKOMJE-UHFFFAOYSA-N -1 3 338.407 2.766 10 30 EFEEHM C[C@@H](CC#N)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000597161400 479599473 /nfs/dbraw/zinc/59/94/73/479599473.db2.gz TWZPQNYHWSEHBQ-QMMMGPOBSA-N -1 3 349.334 2.565 10 30 EFEEHM COC[C@H](CC(C)(C)C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000594135209 479604149 /nfs/dbraw/zinc/60/41/49/479604149.db2.gz FCXZZCGQJJYPSJ-AWEZNQCLSA-N -1 3 347.459 2.776 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCCO1 ZINC000594183643 479622026 /nfs/dbraw/zinc/62/20/26/479622026.db2.gz ORBHKCNPDCMYJI-SJORKVTESA-N -1 3 345.443 2.672 10 30 EFEEHM CN(C)[C@H]1CCOc2c(NC(=O)c3cc([O-])cc(C#N)c3)cccc21 ZINC000619147071 479697837 /nfs/dbraw/zinc/69/78/37/479697837.db2.gz UXXGYJJTADMIPP-KRWDZBQOSA-N -1 3 337.379 2.901 10 30 EFEEHM C=C1CC(C)(C(=O)Nc2ccc([N-]S(=O)(=O)CC)c(OC)c2)C1 ZINC000630789314 479707523 /nfs/dbraw/zinc/70/75/23/479707523.db2.gz UDWSBNIYEBRKND-UHFFFAOYSA-N -1 3 338.429 2.752 10 30 EFEEHM CCOCCn1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000621717796 479766063 /nfs/dbraw/zinc/76/60/63/479766063.db2.gz OENLBBVSUBINRR-KRWDZBQOSA-N -1 3 334.379 2.958 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180509 479803243 /nfs/dbraw/zinc/80/32/43/479803243.db2.gz OWYIACRUMODWAP-ABAIWWIYSA-N -1 3 331.384 2.533 10 30 EFEEHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000613028820 479845768 /nfs/dbraw/zinc/84/57/68/479845768.db2.gz RSBXOVBQBCCTPB-LBPRGKRZSA-N -1 3 341.205 2.564 10 30 EFEEHM C=CC(C)(C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000628313909 479852274 /nfs/dbraw/zinc/85/22/74/479852274.db2.gz GQUUTJGEMQHRTE-OAHLLOKOSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCN(C(=O)Cc1ccc(Br)cc1[O-])[C@H](C)COC ZINC000617582675 480287842 /nfs/dbraw/zinc/28/78/42/480287842.db2.gz RXOIAQYOUCNQNN-LLVKDONJSA-N -1 3 342.233 2.747 10 30 EFEEHM CCC[C@@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000618201393 480566913 /nfs/dbraw/zinc/56/69/13/480566913.db2.gz UZFDTURCADXEHM-JTQLQIEISA-N -1 3 348.200 2.713 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1c(C(F)(F)F)cnn1C ZINC000632640857 480662083 /nfs/dbraw/zinc/66/20/83/480662083.db2.gz FVHSCNXQPNTUOC-UHFFFAOYSA-N -1 3 339.383 2.710 10 30 EFEEHM C=CCOCCCC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1 ZINC000647770710 481098232 /nfs/dbraw/zinc/09/82/32/481098232.db2.gz DHWCETWQSDDTEQ-UHFFFAOYSA-N -1 3 337.383 2.941 10 30 EFEEHM C=CCOCCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1 ZINC000647770710 481098241 /nfs/dbraw/zinc/09/82/41/481098241.db2.gz DHWCETWQSDDTEQ-UHFFFAOYSA-N -1 3 337.383 2.941 10 30 EFEEHM C=CCOCCCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC000647770710 481098253 /nfs/dbraw/zinc/09/82/53/481098253.db2.gz DHWCETWQSDDTEQ-UHFFFAOYSA-N -1 3 337.383 2.941 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664293764 481157181 /nfs/dbraw/zinc/15/71/81/481157181.db2.gz XJEDXAAWOBZIER-IAQYHMDHSA-N -1 3 327.384 2.827 10 30 EFEEHM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1cnc2ccccc2n1 ZINC000659114430 481206809 /nfs/dbraw/zinc/20/68/09/481206809.db2.gz AICFDWHLQZANOJ-CQSZACIVSA-N -1 3 347.378 2.668 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2csc(-c3ccccc3)n2)CC1 ZINC000164475330 534561872 /nfs/dbraw/zinc/56/18/72/534561872.db2.gz NJEGBDMCSGZBNH-UHFFFAOYSA-N -1 3 333.438 2.533 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000156906990 526554167 /nfs/dbraw/zinc/55/41/67/526554167.db2.gz HJXJWKSRBOXTEN-CYBMUJFWSA-N -1 3 334.784 2.624 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CC(c2ccccc2)C1 ZINC000157185855 526563516 /nfs/dbraw/zinc/56/35/16/526563516.db2.gz APQUBHABBFYRMK-UHFFFAOYSA-N -1 3 330.384 2.922 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1cccc(Br)c1 ZINC000163585350 527285554 /nfs/dbraw/zinc/28/55/54/527285554.db2.gz CCDCKGNYPBMMIY-UHFFFAOYSA-N -1 3 326.219 2.812 10 30 EFEEHM CCCCCCCS(=O)(=O)[N-][C@H](c1nc[nH]n1)c1ccccc1 ZINC000367035252 534988815 /nfs/dbraw/zinc/98/88/15/534988815.db2.gz ITTVUMMWVGTBKQ-HNNXBMFYSA-N -1 3 336.461 2.784 10 30 EFEEHM C=CCc1cc(OC)cc(CN2CCOC[C@H]2C(F)(F)F)c1[O-] ZINC000754742762 575481410 /nfs/dbraw/zinc/48/14/10/575481410.db2.gz ZMEDXEPUSTWIHC-AWEZNQCLSA-N -1 3 331.334 2.892 10 30 EFEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@H](C#N)CC(C)C)CC2 ZINC000758402879 575868860 /nfs/dbraw/zinc/86/88/60/575868860.db2.gz NDIQSNWUDTUJML-HNNXBMFYSA-N -1 3 334.441 2.840 10 30 EFEEHM C#CCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000760469354 576029010 /nfs/dbraw/zinc/02/90/10/576029010.db2.gz CQBDIUZFCGLAMG-UHFFFAOYSA-N -1 3 329.137 2.739 10 30 EFEEHM N#Cc1cccc(N2CCN(Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC000761229022 576133525 /nfs/dbraw/zinc/13/35/25/576133525.db2.gz RCAXFSQNIOSHOF-UHFFFAOYSA-N -1 3 328.803 2.634 10 30 EFEEHM Cc1ccncc1COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000762132760 576263217 /nfs/dbraw/zinc/26/32/17/576263217.db2.gz PSMPBZMBQFJSPS-UHFFFAOYSA-N -1 3 325.368 2.655 10 30 EFEEHM COc1cccc([O-])c1/C=N\[C@H](C)Cn1ncc2ccccc2c1=O ZINC000763274961 576370595 /nfs/dbraw/zinc/37/05/95/576370595.db2.gz ATQVLHDVSSNDIU-RBFBNPFJSA-N -1 3 337.379 2.618 10 30 EFEEHM N#Cc1ccc(OCC[N-]C(=O)C(F)(F)c2ccccc2F)cc1 ZINC000765833284 577081653 /nfs/dbraw/zinc/08/16/53/577081653.db2.gz GFARUNPNWOVBQG-UHFFFAOYSA-N -1 3 334.297 2.984 10 30 EFEEHM Cc1ccn(-c2ccccc2C/N=C\c2c([O-])c(C)ncc2CO)n1 ZINC000767689767 577227334 /nfs/dbraw/zinc/22/73/34/577227334.db2.gz OMROXABLSFKOPG-JAIQZWGSSA-N -1 3 336.395 2.701 10 30 EFEEHM COC(=O)CCCC[C@H](C)C(C)N=Nc1cn[n-]c(=O)c1Cl ZINC000767760760 577232400 /nfs/dbraw/zinc/23/24/00/577232400.db2.gz DSSVAAMIHYGFPH-VIFPVBQESA-N -1 3 328.800 2.993 10 30 EFEEHM C#CCC(C)(C)C(=O)Nc1cc(I)ccc1[O-] ZINC000768321315 577266123 /nfs/dbraw/zinc/26/61/23/577266123.db2.gz LMLSWEGVDSESJM-UHFFFAOYSA-N -1 3 343.164 2.985 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000773871848 581471112 /nfs/dbraw/zinc/47/11/12/581471112.db2.gz MKNUFGAVXZAJGC-LBPRGKRZSA-N -1 3 331.459 2.705 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCCOc2c(Br)cccc21 ZINC000774409784 581491006 /nfs/dbraw/zinc/49/10/06/581491006.db2.gz JSNKUHOOWDGVBS-UHFFFAOYSA-N -1 3 335.205 2.593 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000774415191 581491091 /nfs/dbraw/zinc/49/10/91/581491091.db2.gz SXSHZTUVSGLRLO-UHFFFAOYSA-N -1 3 335.814 2.698 10 30 EFEEHM C=CCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746762838 1248780650 /nfs/dbraw/zinc/78/06/50/1248780650.db2.gz XKZMBIHZQDNTRN-GOEBONIOSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001719804408 1249209521 /nfs/dbraw/zinc/20/95/21/1249209521.db2.gz HSRQSORRISBUTE-JHNDHUHGSA-N -1 3 342.439 2.856 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001745493485 1249779528 /nfs/dbraw/zinc/77/95/28/1249779528.db2.gz XPAQLUPMXACZGE-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000921617218 1257547024 /nfs/dbraw/zinc/54/70/24/1257547024.db2.gz AVYJVVZTBATGDW-WCBMZHEXSA-N -1 3 338.738 2.688 10 30 EFEEHM NC(=O)NCc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001649041533 1257696243 /nfs/dbraw/zinc/69/62/43/1257696243.db2.gz UJRHVLODHAHULB-UHFFFAOYSA-N -1 3 333.775 2.540 10 30 EFEEHM CCCCCCN([O-])C(=O)c1cc(C)n(-c2nc(C)cc(C)n2)n1 ZINC001649057109 1258059399 /nfs/dbraw/zinc/05/93/99/1258059399.db2.gz PUYJWXMCNYATCK-UHFFFAOYSA-N -1 3 331.420 2.999 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001487266056 1261551563 /nfs/dbraw/zinc/55/15/63/1261551563.db2.gz RJFSNBNWMJSIKH-OAHLLOKOSA-N -1 3 330.428 2.571 10 30 EFEEHM COc1cc(/C=C\C(=O)c2cn3cccnc3n2)cc(Cl)c1[O-] ZINC000791427907 1278118652 /nfs/dbraw/zinc/11/86/52/1278118652.db2.gz KPOCZHSNRQIZJB-ARJAWSKDSA-N -1 3 329.743 2.993 10 30 EFEEHM CN(C[C@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001486536335 1263340888 /nfs/dbraw/zinc/34/08/88/1263340888.db2.gz PLJONAYIGYOASB-OAHLLOKOSA-N -1 3 342.439 2.505 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001486580989 1263464497 /nfs/dbraw/zinc/46/44/97/1263464497.db2.gz BSVKBNNTTHZDFL-SVGDTCPJSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001746530059 1268540681 /nfs/dbraw/zinc/54/06/81/1268540681.db2.gz TYXZCBNSIJHKNE-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM CC(C)C[C@@H](C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000825417851 1278544652 /nfs/dbraw/zinc/54/46/52/1278544652.db2.gz QDXLIYJEJCUVGX-ZDUSSCGKSA-N -1 3 333.342 2.549 10 30 EFEEHM O=C1CN(N=Cc2c[nH]c3cc(OCc4ccccc4)ccc23)C(=O)[N-]1 ZINC000792629876 1279006545 /nfs/dbraw/zinc/00/65/45/1279006545.db2.gz BDLRMXJRBIFVOW-UHFFFAOYSA-N -1 3 348.362 2.633 10 30 EFEEHM C#CCn1ccc(CN(CCOC)Cc2cc(Cl)ccc2[O-])n1 ZINC000789761002 1276970223 /nfs/dbraw/zinc/97/02/23/1276970223.db2.gz UCMABCYVPTVMOJ-UHFFFAOYSA-N -1 3 333.819 2.524 10 30 EFEEHM C[C@@H](C(=O)[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923272300 1277443099 /nfs/dbraw/zinc/44/30/99/1277443099.db2.gz GTPGZFZOPGMMNS-HCWXCVPCSA-N -1 3 341.198 2.562 10 30 EFEEHM N#C[C@@]1([N-]C(=O)C(F)(F)C2CCOCC2)CCc2ccccc2C1 ZINC000790900532 1277856929 /nfs/dbraw/zinc/85/69/29/1277856929.db2.gz BJQVEKGBYXPDRK-QGZVFWFLSA-N -1 3 334.366 2.616 10 30 EFEEHM N#Cc1c(=O)[n-]cc2c1CCCC2N=Nc1nccnc1C1CCC1 ZINC000844596159 1279118149 /nfs/dbraw/zinc/11/81/49/1279118149.db2.gz HJOSHYZZIWWCRO-UHFFFAOYSA-N -1 3 334.383 2.869 10 30 EFEEHM COc1cc(C(=O)/C=C\c2cnnn2Cc2ccccc2)ccc1[O-] ZINC000792866408 1279202744 /nfs/dbraw/zinc/20/27/44/1279202744.db2.gz MXMIXDFJZIUAIW-NTMALXAHSA-N -1 3 335.363 2.937 10 30 EFEEHM N#Cc1cc(C(=O)[N-]c2c(F)ccnc2F)cnc1C(F)(F)F ZINC001129484295 1280220965 /nfs/dbraw/zinc/22/09/65/1280220965.db2.gz SQBKUWOYTMCDPK-UHFFFAOYSA-N -1 3 328.200 2.898 10 30 EFEEHM N#Cc1ccc(C(=O)[N-]c2nsc(Cc3ccc(F)cc3)n2)cn1 ZINC001129869711 1280363590 /nfs/dbraw/zinc/36/35/90/1280363590.db2.gz FBIXEPTVWRWFDZ-UHFFFAOYSA-N -1 3 339.355 2.787 10 30 EFEEHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1cc(F)ccc1F ZINC000811187228 1284098396 /nfs/dbraw/zinc/09/83/96/1284098396.db2.gz CBRVGDCYPJTGFM-VIFPVBQESA-N -1 3 331.274 2.970 10 30 EFEEHM C[C@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)N(C)CCC#N ZINC000811395056 1284282908 /nfs/dbraw/zinc/28/29/08/1284282908.db2.gz SRZCCVFKMLFMRA-QMMMGPOBSA-N -1 3 339.804 2.800 10 30 EFEEHM COC(=O)c1c(C)c(N=Cc2c([O-])c(C)ncc2CO)ccc1F ZINC000811624669 1284440753 /nfs/dbraw/zinc/44/07/53/1284440753.db2.gz MGQXCDIUOHQEBO-UHFFFAOYSA-N -1 3 332.331 2.573 10 30 EFEEHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cocn2)cc1 ZINC000814829743 1287067582 /nfs/dbraw/zinc/06/75/82/1287067582.db2.gz HWHSGIWELXVRPE-UHFFFAOYSA-N -1 3 342.380 2.921 10 30 EFEEHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000815915003 1287906614 /nfs/dbraw/zinc/90/66/14/1287906614.db2.gz AFPKDZGHNNEFEX-NSHDSACASA-N -1 3 329.743 2.705 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000816693306 1288247198 /nfs/dbraw/zinc/24/71/98/1288247198.db2.gz IEZIASITUOGHNE-GFCCVEGCSA-N -1 3 343.210 2.521 10 30 EFEEHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)sc1-c1ccc(F)cc1 ZINC000816695159 1288248371 /nfs/dbraw/zinc/24/83/71/1288248371.db2.gz WOMMRXNPFSZKGO-LBPRGKRZSA-N -1 3 334.372 2.583 10 30 EFEEHM C#CCO[N-]C(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC001166328774 1312758815 /nfs/dbraw/zinc/75/88/15/1312758815.db2.gz SFQZSEKBQUBPAH-UHFFFAOYSA-N -1 3 340.070 2.902 10 30 EFEEHM C=C(C)[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(F)c(F)c1 ZINC000878451265 1291679153 /nfs/dbraw/zinc/67/91/53/1291679153.db2.gz JVQUFNWVOOPADH-QGZVFWFLSA-N -1 3 347.365 2.940 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OCC ZINC000881754874 1292998464 /nfs/dbraw/zinc/99/84/64/1292998464.db2.gz ZDLOXMCRKVWJNE-OAHLLOKOSA-N -1 3 337.391 2.868 10 30 EFEEHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867155672 1294132553 /nfs/dbraw/zinc/13/25/53/1294132553.db2.gz DBZLFUFKGYEKEE-LBPRGKRZSA-N -1 3 338.326 2.953 10 30 EFEEHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)Nc1cc(F)ccc1C#N ZINC001412895765 1295706603 /nfs/dbraw/zinc/70/66/03/1295706603.db2.gz YUPTTXYEIUCOJZ-MNOVXSKESA-N -1 3 328.347 2.873 10 30 EFEEHM C=CCCO[C@H](C)C(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC000890474710 1295976688 /nfs/dbraw/zinc/97/66/88/1295976688.db2.gz UHQBGXOMAACUJV-LLVKDONJSA-N -1 3 331.372 2.659 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001487670714 1296036333 /nfs/dbraw/zinc/03/63/33/1296036333.db2.gz FIAORMXJDQJCNA-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299505805 1296258943 /nfs/dbraw/zinc/25/89/43/1296258943.db2.gz SJIXTOTZVNRBSK-FQEVSTJZSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)OCC ZINC001412448272 1296567114 /nfs/dbraw/zinc/56/71/14/1296567114.db2.gz SACUNOPKDMOXEI-LBPRGKRZSA-N -1 3 343.832 2.918 10 30 EFEEHM C=C(Cl)C[C@@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)OCC ZINC001412448270 1296567832 /nfs/dbraw/zinc/56/78/32/1296567832.db2.gz SACUNOPKDMOXEI-GFCCVEGCSA-N -1 3 343.832 2.918 10 30 EFEEHM C=CCCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408510 1298220369 /nfs/dbraw/zinc/22/03/69/1298220369.db2.gz DVQBCSYRVUVLOB-HZPDHXFCSA-N -1 3 328.412 2.516 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001489713855 1298317075 /nfs/dbraw/zinc/31/70/75/1298317075.db2.gz MOXUZOIQQZLCQI-HNNXBMFYSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(=O)N1CCCCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001490059986 1298506710 /nfs/dbraw/zinc/50/67/10/1298506710.db2.gz XTOLSRPOMCTJTJ-OAHLLOKOSA-N -1 3 330.428 2.859 10 30 EFEEHM C=C(Cl)C[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779893990 1299121645 /nfs/dbraw/zinc/12/16/45/1299121645.db2.gz XVBPUWCPQQROKK-UHFFFAOYSA-N -1 3 325.173 2.587 10 30 EFEEHM O=S1(=O)CCC(CN=Nc2nc3ccccc3[n-]c2=S)CC1 ZINC000863125356 1302537136 /nfs/dbraw/zinc/53/71/36/1302537136.db2.gz UKWIZNMFGOXIQZ-UHFFFAOYSA-N -1 3 336.442 2.515 10 30 EFEEHM N#Cc1cc(C(F)(F)F)cc(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000865684965 1303365183 /nfs/dbraw/zinc/36/51/83/1303365183.db2.gz QCQADCWFAZEVBZ-UHFFFAOYSA-N -1 3 336.199 2.721 10 30 EFEEHM N#Cc1c(NCc2nc3c(c(=O)[n-]2)COCC3)cccc1C(F)F ZINC000866289315 1303591015 /nfs/dbraw/zinc/59/10/15/1303591015.db2.gz ZCUJGCBFHGFROO-UHFFFAOYSA-N -1 3 332.310 2.676 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)N=[S@](C)(=O)c2ccccc2)CCCC1 ZINC000867518819 1303843840 /nfs/dbraw/zinc/84/38/40/1303843840.db2.gz HHGJEOVYLMJKIH-OAQYLSRUSA-N -1 3 342.486 2.867 10 30 EFEEHM CCOC(=O)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(C)(C)C ZINC000900996284 1309139450 /nfs/dbraw/zinc/13/94/50/1309139450.db2.gz WMWUZCLYDCQQNB-CYBMUJFWSA-N -1 3 338.354 2.744 10 30 EFEEHM Cc1ccc(C(=O)NCC(=O)N([O-])Cc2ccc(F)cc2)cc1C ZINC000901378327 1310274202 /nfs/dbraw/zinc/27/42/02/1310274202.db2.gz GLLPBBLBMMBRSG-UHFFFAOYSA-N -1 3 330.359 2.590 10 30 EFEEHM C=C(C)C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901681268 1310878474 /nfs/dbraw/zinc/87/84/74/1310878474.db2.gz GVNFYLABMCJREH-SECBINFHSA-N -1 3 349.206 2.928 10 30 EFEEHM C=CCCn1cc(CNC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)nn1 ZINC000901879422 1311148042 /nfs/dbraw/zinc/14/80/42/1311148042.db2.gz PVLNUALSQSTQKA-INIZCTEOSA-N -1 3 340.427 2.762 10 30 EFEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@H](OCC)C3CC3)cc21 ZINC000901953323 1311233752 /nfs/dbraw/zinc/23/37/52/1311233752.db2.gz AVVLAUIBYLNPIM-KRWDZBQOSA-N -1 3 349.456 2.779 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903114932 1312369950 /nfs/dbraw/zinc/36/99/50/1312369950.db2.gz JMNMZOKSBDWQFS-NSHDSACASA-N -1 3 349.225 2.556 10 30 EFEEHM C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001164225734 1312472714 /nfs/dbraw/zinc/47/27/14/1312472714.db2.gz KOJFKPFPOZWUEG-LURJTMIESA-N -1 3 326.238 2.776 10 30 EFEEHM C#CC1([N-]S(=O)(=O)c2cc(F)ccc2Br)CCCC1 ZINC001213515624 1314567047 /nfs/dbraw/zinc/56/70/47/1314567047.db2.gz ZSNISSZRCLKEAD-UHFFFAOYSA-N -1 3 346.221 2.813 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001213546855 1314572808 /nfs/dbraw/zinc/57/28/08/1314572808.db2.gz UILIJWOLRZSNCV-SECBINFHSA-N -1 3 337.850 2.578 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001299543818 1316196765 /nfs/dbraw/zinc/19/67/65/1316196765.db2.gz QVRITMTZSIYNBO-FQEVSTJZSA-N -1 3 342.439 2.881 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001280190650 1317473350 /nfs/dbraw/zinc/47/33/50/1317473350.db2.gz SLDUVUIOYAXYDJ-KBPBESRZSA-N -1 3 330.428 2.762 10 30 EFEEHM C=CCCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501830 1317591516 /nfs/dbraw/zinc/59/15/16/1317591516.db2.gz PWIQWGCAEUFOQB-UHFFFAOYSA-N -1 3 339.804 2.801 10 30 EFEEHM C=CCCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC001280501830 1317591521 /nfs/dbraw/zinc/59/15/21/1317591521.db2.gz PWIQWGCAEUFOQB-UHFFFAOYSA-N -1 3 339.804 2.801 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001281160695 1318048516 /nfs/dbraw/zinc/04/85/16/1318048516.db2.gz VAPMTIIQPAHTAY-GDBMZVCRSA-N -1 3 342.439 2.880 10 30 EFEEHM C[C@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCCN1C(=O)c1ccccc1[O-] ZINC001281207623 1318102826 /nfs/dbraw/zinc/10/28/26/1318102826.db2.gz FMTYLIFHUZYCRI-HOCLYGCPSA-N -1 3 342.439 2.551 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N1CCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001281449283 1318319369 /nfs/dbraw/zinc/31/93/69/1318319369.db2.gz XGNLLRARVNSNJP-HUUCEWRRSA-N -1 3 342.439 2.525 10 30 EFEEHM CC(C)C#CC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001283675884 1319948492 /nfs/dbraw/zinc/94/84/92/1319948492.db2.gz UBPLBTGQPROMHG-DOTOQJQBSA-N -1 3 342.439 2.551 10 30 EFEEHM CC(C)C#CC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001283675886 1319948713 /nfs/dbraw/zinc/94/87/13/1319948713.db2.gz UBPLBTGQPROMHG-RDJZCZTQSA-N -1 3 342.439 2.551 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001283981263 1320128083 /nfs/dbraw/zinc/12/80/83/1320128083.db2.gz XNHSELWYCPUYQJ-OAGGEKHMSA-N -1 3 342.439 2.810 10 30 EFEEHM C=C(C)CCC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001284181554 1320254535 /nfs/dbraw/zinc/25/45/35/1320254535.db2.gz BQHQOCAGXXLLJF-UHFFFAOYSA-N -1 3 330.428 2.906 10 30 EFEEHM C=CCC1(C(=O)NC[C@H]2CCCN2C(=O)c2ccccc2[O-])CCC1 ZINC001284689017 1320476229 /nfs/dbraw/zinc/47/62/29/1320476229.db2.gz BUZHBZYFCZRMMF-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284689075 1320476282 /nfs/dbraw/zinc/47/62/82/1320476282.db2.gz BUVFBXJKKBMJLX-CABCVRRESA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001284698563 1320480962 /nfs/dbraw/zinc/48/09/62/1320480962.db2.gz FNPNJRXSVPZFGN-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001285392529 1320882631 /nfs/dbraw/zinc/88/26/31/1320882631.db2.gz XSGWZABRKOJYHZ-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001285394776 1320884267 /nfs/dbraw/zinc/88/42/67/1320884267.db2.gz ADIOHXOFVCTXSW-GDBMZVCRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)CCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001285394779 1320884612 /nfs/dbraw/zinc/88/46/12/1320884612.db2.gz ADIOHXOFVCTXSW-GOEBONIOSA-N -1 3 330.428 2.763 10 30 EFEEHM C#CCCCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001286154245 1321272037 /nfs/dbraw/zinc/27/20/37/1321272037.db2.gz AKMILBLPKKRSOC-FQEVSTJZSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CCCC1(C(=O)NC[C@H]2C[C@H](NC(=O)c3ccccc3[O-])C2)CC1 ZINC001286383469 1321354641 /nfs/dbraw/zinc/35/46/41/1321354641.db2.gz PCFXYCXZCHSSCA-SHTZXODSSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001289760250 1321825607 /nfs/dbraw/zinc/82/56/07/1321825607.db2.gz IGTFYFUTDPFWRI-GDBMZVCRSA-N -1 3 342.439 2.667 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001290064633 1321872699 /nfs/dbraw/zinc/87/26/99/1321872699.db2.gz TTYLMARSOVODQL-SOUVJXGZSA-N -1 3 330.428 2.619 10 30 EFEEHM CC(C)(C)C#CC(=O)NCCCCCCNC(=O)c1ccccc1[O-] ZINC001293511577 1322272223 /nfs/dbraw/zinc/27/22/23/1322272223.db2.gz NFVUWLOQWYPKNN-UHFFFAOYSA-N -1 3 344.455 2.848 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC001297334581 1323174585 /nfs/dbraw/zinc/17/45/85/1323174585.db2.gz HXAPQCXJUGGRHJ-QGZVFWFLSA-N -1 3 347.374 2.806 10 30 EFEEHM C=CCN(C)CCN(CC)C(=O)c1cccc(Br)c1[O-] ZINC001297378434 1323193508 /nfs/dbraw/zinc/19/35/08/1323193508.db2.gz GGTKOGYDCMGOFK-UHFFFAOYSA-N -1 3 341.249 2.735 10 30 EFEEHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001298178193 1323452256 /nfs/dbraw/zinc/45/22/56/1323452256.db2.gz KFXNUJICVOWQPL-KGLIPLIRSA-N -1 3 332.787 2.645 10 30 EFEEHM O=C(c1cc2c(cc1[O-])OCO2)N(O)CCCCc1ccccc1 ZINC001306896060 1324729429 /nfs/dbraw/zinc/72/94/29/1324729429.db2.gz ITTWZFHQGROWJC-UHFFFAOYSA-N -1 3 329.352 2.975 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC001309746014 1324885100 /nfs/dbraw/zinc/88/51/00/1324885100.db2.gz DSJIHDYTFGMMHG-UHFFFAOYSA-N -1 3 331.459 2.805 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC001309807001 1324887754 /nfs/dbraw/zinc/88/77/54/1324887754.db2.gz HZJMMMYKUNSDEI-MRXNPFEDSA-N -1 3 339.457 2.621 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2F)CC1 ZINC001309836588 1324888561 /nfs/dbraw/zinc/88/85/61/1324888561.db2.gz MSXHUKLOLRUZQG-UHFFFAOYSA-N -1 3 341.404 2.637 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001309938677 1324894385 /nfs/dbraw/zinc/89/43/85/1324894385.db2.gz RTRZBZPMMBURFM-UHFFFAOYSA-N -1 3 337.850 2.739 10 30 EFEEHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@H](C)N1CC#N ZINC001332723807 1331010196 /nfs/dbraw/zinc/01/01/96/1331010196.db2.gz HYZWUSHUBFNBKU-TXEJJXNPSA-N -1 3 338.249 2.573 10 30 EFEEHM C[C@H]1CN(Cc2cccc([O-])c2Br)C[C@H](C)N1CC#N ZINC001332723806 1331010573 /nfs/dbraw/zinc/01/05/73/1331010573.db2.gz HYZWUSHUBFNBKU-RYUDHWBXSA-N -1 3 338.249 2.573 10 30 EFEEHM C[C@@H]1CN(Cc2cccc([O-])c2Br)C[C@@H](C)N1CC#N ZINC001332723808 1331010611 /nfs/dbraw/zinc/01/06/11/1331010611.db2.gz HYZWUSHUBFNBKU-VXGBXAGGSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333522884 1331160079 /nfs/dbraw/zinc/16/00/79/1331160079.db2.gz PJCDXWIIGSMBRL-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001333553929 1331167523 /nfs/dbraw/zinc/16/75/23/1331167523.db2.gz SCJVVCPQOKSNIQ-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C#CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001334753581 1331300606 /nfs/dbraw/zinc/30/06/06/1331300606.db2.gz XQXRHVHGTGEYOX-UHFFFAOYSA-N -1 3 342.439 2.745 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001336868412 1331510845 /nfs/dbraw/zinc/51/08/45/1331510845.db2.gz TWZVTMKHSWFLHC-RHSMWYFYSA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCCC(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336898562 1331514749 /nfs/dbraw/zinc/51/47/49/1331514749.db2.gz KFWWXTUBMLNNOV-KRWDZBQOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001337896693 1331609787 /nfs/dbraw/zinc/60/97/87/1331609787.db2.gz BGCQHHDWBWSPQH-HIFRSBDPSA-N -1 3 330.428 2.714 10 30 EFEEHM CC#CCCCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001338327278 1331692650 /nfs/dbraw/zinc/69/26/50/1331692650.db2.gz XSDANIAYJBMBEJ-CVEARBPZSA-N -1 3 342.439 2.601 10 30 EFEEHM C=C(C)CCC(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001339496670 1331880898 /nfs/dbraw/zinc/88/08/98/1331880898.db2.gz BKUNAHSRLNRTFN-UHFFFAOYSA-N -1 3 328.412 2.637 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001341147969 1332237879 /nfs/dbraw/zinc/23/78/79/1332237879.db2.gz ZEXINXDZCNFRCM-YQQAZPJKSA-N -1 3 342.439 2.667 10 30 EFEEHM C#C[C@H]1CCCCN1c1nnc(-c2c[n-]oc2=O)n1Cc1ccccc1 ZINC001343728209 1332373625 /nfs/dbraw/zinc/37/36/25/1332373625.db2.gz UGPDVFNFJVQVHH-HNNXBMFYSA-N -1 3 349.394 2.679 10 30 EFEEHM C=CCCCC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001351005101 1333166533 /nfs/dbraw/zinc/16/65/33/1333166533.db2.gz MQJKFYRNAJCEBP-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001351723861 1333275909 /nfs/dbraw/zinc/27/59/09/1333275909.db2.gz YMQBEIMHNWFMMC-QWHCGFSZSA-N -1 3 328.420 2.642 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001352093440 1333383490 /nfs/dbraw/zinc/38/34/90/1333383490.db2.gz LAQQYSYDENMRBP-GFCCVEGCSA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C2CCCC2)C1 ZINC001352093440 1333383492 /nfs/dbraw/zinc/38/34/92/1333383492.db2.gz LAQQYSYDENMRBP-GFCCVEGCSA-N -1 3 347.854 2.919 10 30 EFEEHM C=C[C@@H](C(=O)NC[C@H](C)NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001354449301 1334308962 /nfs/dbraw/zinc/30/89/62/1334308962.db2.gz YAGVKJSLCHNPKZ-GOEBONIOSA-N -1 3 338.407 2.597 10 30 EFEEHM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000848134033 1334345737 /nfs/dbraw/zinc/34/57/37/1334345737.db2.gz MGCOIJXOQHFUPI-RRQGHBQHSA-N -1 3 330.428 2.800 10 30 EFEEHM C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001472888040 1334599929 /nfs/dbraw/zinc/59/99/29/1334599929.db2.gz ZBJNNBFNXOQSCR-ZCFIWIBFSA-N -1 3 326.238 2.776 10 30 EFEEHM C#C[C@@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)C1 ZINC001355283590 1334729850 /nfs/dbraw/zinc/72/98/50/1334729850.db2.gz CRBVEWZTSPVHGQ-CYBMUJFWSA-N -1 3 344.846 2.809 10 30 EFEEHM COc1cc(C(=O)/C=C/c2cc3n(n2)CCCC3)c(OC)cc1[O-] ZINC000848640098 1334821393 /nfs/dbraw/zinc/82/13/93/1334821393.db2.gz HNLSJCBIMQLHSD-VOTSOKGWSA-N -1 3 328.368 2.838 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC2(CC2)C1 ZINC001355975113 1334922125 /nfs/dbraw/zinc/92/21/25/1334922125.db2.gz DISHCTLKCRYNMG-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC2(CC2)C1 ZINC001355975113 1334922128 /nfs/dbraw/zinc/92/21/28/1334922128.db2.gz DISHCTLKCRYNMG-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 ZINC001356006332 1334929206 /nfs/dbraw/zinc/92/92/06/1334929206.db2.gz AHPITAOBTBUWPR-VIFPVBQESA-N -1 3 343.309 2.603 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001358070930 1335358895 /nfs/dbraw/zinc/35/88/95/1335358895.db2.gz MWEURPOTEYHRKL-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nc(-c3cccc(Cl)c3)ns2)nn1 ZINC001358352986 1335373500 /nfs/dbraw/zinc/37/35/00/1335373500.db2.gz XVLHZYXXDKKNOD-UHFFFAOYSA-N -1 3 346.803 2.888 10 30 EFEEHM Cc1ncc(CO)c(/C=N\C[C@@H]2C[C@H](c3ccccc3)CO2)c1[O-] ZINC000849171775 1335563582 /nfs/dbraw/zinc/56/35/82/1335563582.db2.gz FUCREIRQVHCVEE-DAXCKMCRSA-N -1 3 326.396 2.580 10 30 EFEEHM N#Cc1cc(C(=O)[N-]c2nnc(Cc3ccc(F)cc3)s2)co1 ZINC001359909728 1335929956 /nfs/dbraw/zinc/92/99/56/1335929956.db2.gz YKDCISCOZAJLMS-UHFFFAOYSA-N -1 3 328.328 2.985 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC001362546032 1336652212 /nfs/dbraw/zinc/65/22/12/1336652212.db2.gz QFLLRGKQAQIIDZ-JTQLQIEISA-N -1 3 341.795 2.762 10 30 EFEEHM C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001363640567 1336968747 /nfs/dbraw/zinc/96/87/47/1336968747.db2.gz KNBMCJYLYHCLDD-MWLCHTKSSA-N -1 3 337.305 2.698 10 30 EFEEHM O=C([N-][C@H](CO)C(F)(F)F)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001363666196 1336983289 /nfs/dbraw/zinc/98/32/89/1336983289.db2.gz PYJXCDFDPXBACO-BDAKNGLRSA-N -1 3 333.203 2.755 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001380408628 1347652324 /nfs/dbraw/zinc/65/23/24/1347652324.db2.gz ZYYBGNOLOWSUEW-MNOVXSKESA-N -1 3 338.835 2.794 10 30 EFEEHM CC[C@@](C)(C#N)C(=O)Nc1ccc(I)cc1[O-] ZINC001447624847 1391720612 /nfs/dbraw/zinc/72/06/12/1391720612.db2.gz PQWCSRZTAKAEGC-LBPRGKRZSA-N -1 3 344.152 2.875 10 30 EFEEHM C=C(Cl)C[C@@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC001454713613 1393095010 /nfs/dbraw/zinc/09/50/10/1393095010.db2.gz OQUYXAXSZSYXTF-CYBMUJFWSA-N -1 3 325.792 2.759 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)[n-]n1 ZINC001456336748 1394670519 /nfs/dbraw/zinc/67/05/19/1394670519.db2.gz RUJSPQXKVJOLOZ-UHFFFAOYSA-N -1 3 338.367 2.517 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)n[n-]1 ZINC001456336748 1394670520 /nfs/dbraw/zinc/67/05/20/1394670520.db2.gz RUJSPQXKVJOLOZ-UHFFFAOYSA-N -1 3 338.367 2.517 10 30 EFEEHM COC(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)n1C ZINC001458016523 1395396880 /nfs/dbraw/zinc/39/68/80/1395396880.db2.gz MZJAKWZJEWDAFI-UHFFFAOYSA-N -1 3 338.363 2.997 10 30 EFEEHM Cc1[n-][nH]c(=O)c1CCNc1cc(C(F)(F)F)c(F)cc1C#N ZINC001458193330 1395422419 /nfs/dbraw/zinc/42/24/19/1395422419.db2.gz XFCKGLKDCZVURC-SECBINFHSA-N -1 3 328.269 2.640 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001464093840 1396546466 /nfs/dbraw/zinc/54/64/66/1396546466.db2.gz YSDPLPBQNQYCLN-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)C(=O)OCC ZINC001464387802 1396570592 /nfs/dbraw/zinc/57/05/92/1396570592.db2.gz YHSBCIRKGPMKIG-AWEZNQCLSA-N -1 3 331.478 2.630 10 30 EFEEHM C#CCOc1ccc(F)cc1[N-]C(=O)c1nnc(-c2ccco2)o1 ZINC001465545454 1396689192 /nfs/dbraw/zinc/68/91/92/1396689192.db2.gz IXSSCAZIELVADG-UHFFFAOYSA-N -1 3 327.271 2.733 10 30 EFEEHM N#Cc1ccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)s1 ZINC001469151383 1397005331 /nfs/dbraw/zinc/00/53/31/1397005331.db2.gz JRRCYIMNTCOFGK-UHFFFAOYSA-N -1 3 345.330 2.669 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3cccc(C#N)c3C2)c1 ZINC001469690671 1397048890 /nfs/dbraw/zinc/04/88/90/1397048890.db2.gz ZOZBEDMLFRVTOW-UHFFFAOYSA-N -1 3 333.347 2.544 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)/C=C/c1ccc(I)o1 ZINC001469732983 1397051840 /nfs/dbraw/zinc/05/18/40/1397051840.db2.gz MTOVYRBMFOTGNO-WVXIBAHESA-N -1 3 333.125 2.520 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)/C=C\c1ccc(I)o1 ZINC001469732977 1397052438 /nfs/dbraw/zinc/05/24/38/1397052438.db2.gz MTOVYRBMFOTGNO-GRKOMRHMSA-N -1 3 333.125 2.520 10 30 EFEEHM C#CCOc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1 ZINC001470252995 1397082168 /nfs/dbraw/zinc/08/21/68/1397082168.db2.gz CYCNINFLLUXGFA-UHFFFAOYSA-N -1 3 328.343 2.543 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C#N)[nH]c3C)nc21 ZINC001472300214 1397255217 /nfs/dbraw/zinc/25/52/17/1397255217.db2.gz AGEDPYVJBUGXFW-UHFFFAOYSA-N -1 3 337.339 2.500 10 30 EFEEHM Cn1ncc2c1nc(SCC#Cc1cccc(Cl)c1)[n-]c2=O ZINC001473059988 1397279627 /nfs/dbraw/zinc/27/96/27/1397279627.db2.gz YOKFZSOCNDAHAJ-UHFFFAOYSA-N -1 3 330.800 2.866 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCCC3(CCCCC3)C1)cc2=O ZINC001473152962 1397285437 /nfs/dbraw/zinc/28/54/37/1397285437.db2.gz PTFIGUXQPINTHI-UHFFFAOYSA-N -1 3 325.416 2.853 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001493483242 1398728890 /nfs/dbraw/zinc/72/88/90/1398728890.db2.gz KYPGBZGSYJDHQU-XJKSGUPXSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001493562249 1398754166 /nfs/dbraw/zinc/75/41/66/1398754166.db2.gz IRBXEFDMBAKHFA-HNNXBMFYSA-N -1 3 330.428 2.619 10 30 EFEEHM CCN(C(=O)C#CC(C)(C)C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001498816347 1402310041 /nfs/dbraw/zinc/31/00/41/1402310041.db2.gz GWFQBUOQAAJYAK-OAHLLOKOSA-N -1 3 342.439 2.505 10 30 EFEEHM C=C(C)CCC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001498833215 1402323529 /nfs/dbraw/zinc/32/35/29/1402323529.db2.gz WHIGLHUPNWCHSI-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001500439695 1403124407 /nfs/dbraw/zinc/12/44/07/1403124407.db2.gz GMOAMJVWNLHAER-CQSZACIVSA-N -1 3 332.444 2.865 10 30 EFEEHM C#CCCCC(=O)N1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001509336770 1407915864 /nfs/dbraw/zinc/91/58/64/1407915864.db2.gz AHCKEIRZYWEYGG-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509380115 1407951293 /nfs/dbraw/zinc/95/12/93/1407951293.db2.gz HDGMJXOXHJMBGN-KBPBESRZSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001510325631 1412623413 /nfs/dbraw/zinc/62/34/13/1412623413.db2.gz IQUBUMWYAQDQMK-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001511441697 1413048640 /nfs/dbraw/zinc/04/86/40/1413048640.db2.gz NUPVEECSVSRCFK-CABCVRRESA-N -1 3 330.428 2.763 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2cnn(-c3ccccc3)c2)c1 ZINC001557920605 1415150969 /nfs/dbraw/zinc/15/09/69/1415150969.db2.gz AVEYAWZNBVGLHM-UHFFFAOYSA-N -1 3 332.363 2.787 10 30 EFEEHM CCCCN([O-])C(=O)[C@@](N)(c1ccccc1OCC)C(F)(F)F ZINC001559035542 1415219420 /nfs/dbraw/zinc/21/94/20/1415219420.db2.gz VNSRTESZSQADLR-AWEZNQCLSA-N -1 3 334.338 2.820 10 30 EFEEHM CS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001559033695 1415219524 /nfs/dbraw/zinc/21/95/24/1415219524.db2.gz SPSMZLWUUIBSIC-UHFFFAOYSA-N -1 3 339.800 2.775 10 30 EFEEHM O=C(c1cc2c(=O)[nH]cnc2cn1)N([O-])CCCCc1ccccc1 ZINC001559033826 1415219877 /nfs/dbraw/zinc/21/98/77/1415219877.db2.gz ACNIXPIKUGXKKS-UHFFFAOYSA-N -1 3 338.367 2.585 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OCC ZINC001561876763 1415328145 /nfs/dbraw/zinc/32/81/45/1415328145.db2.gz XAILCCIWCWLYNZ-MRXNPFEDSA-N -1 3 339.457 2.621 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc(C)c(C)c1)C(=O)OCC ZINC001561876760 1415328215 /nfs/dbraw/zinc/32/82/15/1415328215.db2.gz XAILCCIWCWLYNZ-INIZCTEOSA-N -1 3 339.457 2.621 10 30 EFEEHM C#CCCCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001571754310 1415383266 /nfs/dbraw/zinc/38/32/66/1415383266.db2.gz KBSLYHAPFRUYJZ-HUUCEWRRSA-N -1 3 330.428 2.599 10 30 EFEEHM C=C(C)CCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001687920656 1416899727 /nfs/dbraw/zinc/89/97/27/1416899727.db2.gz FDMYOGZHNPDSRG-KRWDZBQOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCC1(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])CC1 ZINC001688722619 1416999377 /nfs/dbraw/zinc/99/93/77/1416999377.db2.gz DOSHRQNQJIXVHT-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001701722931 1417728557 /nfs/dbraw/zinc/72/85/57/1417728557.db2.gz NXRPEUBSIABEAN-HIFRSBDPSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)C[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC001718041883 1419676025 /nfs/dbraw/zinc/67/60/25/1419676025.db2.gz BYJSDNBMLWVWAL-HNNXBMFYSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(=O)N[C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001718225048 1422143951 /nfs/dbraw/zinc/14/39/51/1422143951.db2.gz MZOAUIFTHXXRMU-INIZCTEOSA-N -1 3 332.444 2.961 10 30 EFEEHM CC(C)C#CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001718235699 1422150858 /nfs/dbraw/zinc/15/08/58/1422150858.db2.gz YLZLMEIZJDSIRX-UHFFFAOYSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001718500739 1422319210 /nfs/dbraw/zinc/31/92/10/1422319210.db2.gz FHJVVOUORHZLCH-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001718517689 1422333329 /nfs/dbraw/zinc/33/33/29/1422333329.db2.gz KMRJMFAFIMTPSL-INIZCTEOSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001718733670 1422449652 /nfs/dbraw/zinc/44/96/52/1422449652.db2.gz JPOLIVIQWYHDGV-HUUCEWRRSA-N -1 3 342.439 2.763 10 30 EFEEHM CC(C)(C)C#CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718808307 1422476637 /nfs/dbraw/zinc/47/66/37/1422476637.db2.gz KFRUQETYKYGDPY-MRXNPFEDSA-N -1 3 344.455 2.702 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001719036618 1422648130 /nfs/dbraw/zinc/64/81/30/1422648130.db2.gz IXEXHVZAGOLBSN-GJZGRUSLSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720352257 1422868996 /nfs/dbraw/zinc/86/89/96/1422868996.db2.gz XRGFKDLIXRBRPP-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM CC(C)C#CC(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720573583 1423038708 /nfs/dbraw/zinc/03/87/08/1423038708.db2.gz SLCSPLKLHHLWBY-DOTOQJQBSA-N -1 3 342.439 2.551 10 30 EFEEHM C#CCCCC(=O)N1CCC(CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001721314921 1423644707 /nfs/dbraw/zinc/64/47/07/1423644707.db2.gz MIPFDKNOTJAZCS-UHFFFAOYSA-N -1 3 342.439 2.506 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001721720947 1423951318 /nfs/dbraw/zinc/95/13/18/1423951318.db2.gz FKLOGXYQVKQIKX-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001722198575 1424256373 /nfs/dbraw/zinc/25/63/73/1424256373.db2.gz FNHBPPNWBUDDGA-IBGZPJMESA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001722250108 1424303086 /nfs/dbraw/zinc/30/30/86/1424303086.db2.gz PELUGLXYBSONCF-LJQANCHMSA-N -1 3 330.428 2.717 10 30 EFEEHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001725894104 1425946792 /nfs/dbraw/zinc/94/67/92/1425946792.db2.gz UMRHFNOUYRUJGP-KGLIPLIRSA-N -1 3 330.428 2.762 10 30 EFEEHM C#C[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000893734047 720070221 /nfs/dbraw/zinc/07/02/21/720070221.db2.gz DZZUCPJVJQPQQI-GFCCVEGCSA-N -1 3 337.217 2.852 10 30 EFEEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000330149347 720832631 /nfs/dbraw/zinc/83/26/31/720832631.db2.gz KBXZUVQEDMGUSF-IXBNRNDTSA-N -1 3 343.353 2.748 10 30 EFEEHM N#CC[C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000928803728 724748359 /nfs/dbraw/zinc/74/83/59/724748359.db2.gz AQRZUMKSKKORDS-ZCFIWIBFSA-N -1 3 342.186 2.551 10 30 EFEEHM C=CCCCCCCCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894921118 723026955 /nfs/dbraw/zinc/02/69/55/723026955.db2.gz WNLVCTWGLMHABG-OAHLLOKOSA-N -1 3 347.463 2.587 10 30 EFEEHM C=CCCO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869282652 723888474 /nfs/dbraw/zinc/88/84/74/723888474.db2.gz QRQBHONVVHDLJI-UHFFFAOYSA-N -1 3 329.150 2.524 10 30 EFEEHM NC(=O)[C@@H]1CCC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000130107692 725579718 /nfs/dbraw/zinc/57/97/18/725579718.db2.gz VBVIKEGVLDRGSL-GPNDMUCLSA-N -1 3 325.206 2.618 10 30 EFEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884341 727280962 /nfs/dbraw/zinc/28/09/62/727280962.db2.gz KYZDAGDHZKTUEH-XIRDDKMYSA-N -1 3 345.443 2.541 10 30 EFEEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@@](C)(C#N)C2)s1 ZINC000912707606 727736623 /nfs/dbraw/zinc/73/66/23/727736623.db2.gz YFAXJLYOEGUWBM-HNNXBMFYSA-N -1 3 336.417 2.866 10 30 EFEEHM C#CC[C@H]1CCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912986482 727766561 /nfs/dbraw/zinc/76/65/61/727766561.db2.gz YOFYQIBGANLYDE-NSHDSACASA-N -1 3 335.429 2.976 10 30 EFEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173165835 728617662 /nfs/dbraw/zinc/61/76/62/728617662.db2.gz VJLOXZILSFGGJY-QMMMGPOBSA-N -1 3 349.206 2.600 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001571709401 1087081347 /nfs/dbraw/zinc/08/13/47/1087081347.db2.gz KGLLVDMBBCNVGK-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM CC(C)C#CC(=O)N1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001571920680 1087196826 /nfs/dbraw/zinc/19/68/26/1087196826.db2.gz OZKUXNKUKDEBNW-INIZCTEOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001572025683 1087262908 /nfs/dbraw/zinc/26/29/08/1087262908.db2.gz MDAVNJGHFXLJRY-BZUAXINKSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C1CC(C)(C(=O)N[C@H](C)CCCNC(=O)c2ccccc2[O-])C1 ZINC001572151431 1087362081 /nfs/dbraw/zinc/36/20/81/1087362081.db2.gz SMKRUWNQIZFJAJ-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572621165 1087568016 /nfs/dbraw/zinc/56/80/16/1087568016.db2.gz FJKJHHPTDLDCIE-GJZGRUSLSA-N -1 3 330.428 2.573 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCOC[C@H]1C(C)C ZINC001646899199 1088508111 /nfs/dbraw/zinc/50/81/11/1088508111.db2.gz IVPVUXHJNAKEQB-DLBZAZTESA-N -1 3 346.427 2.813 10 30 EFEEHM COC(=O)c1cc(NC(=O)C2(C#N)CCCCC2)c([O-])c(OC)c1 ZINC001648301960 1089975235 /nfs/dbraw/zinc/97/52/35/1089975235.db2.gz RJBGGFRNFLBDLF-UHFFFAOYSA-N -1 3 332.356 2.600 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001577709658 1090141883 /nfs/dbraw/zinc/14/18/83/1090141883.db2.gz YCTYQIHKIDRBHV-GJZGRUSLSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001577709660 1090142535 /nfs/dbraw/zinc/14/25/35/1090142535.db2.gz YCTYQIHKIDRBHV-LSDHHAIUSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001580266515 1090843013 /nfs/dbraw/zinc/84/30/13/1090843013.db2.gz ZGLUAJXEDPBZBZ-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCC1(C(=O)N(C)CCNC(=O)c2ccccc2[O-])CCCC1 ZINC001580649048 1090976996 /nfs/dbraw/zinc/97/69/96/1090976996.db2.gz PDSKQEKFQQZYFC-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=CCCC(=O)N1CCC([C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001581539666 1091184516 /nfs/dbraw/zinc/18/45/16/1091184516.db2.gz SBQVZWKLSKYULI-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001582887451 1091757928 /nfs/dbraw/zinc/75/79/28/1091757928.db2.gz PAVJCZJSKGLUOL-RDJZCZTQSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001582958842 1091827839 /nfs/dbraw/zinc/82/78/39/1091827839.db2.gz NARJQPIVTXFGMC-DOTOQJQBSA-N -1 3 342.439 2.812 10 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C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001669330000 1105472130 /nfs/dbraw/zinc/47/21/30/1105472130.db2.gz JFQMNQXWWKUAOI-GFCCVEGCSA-N -1 3 334.210 2.668 10 30 EFEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC001669330001 1105472447 /nfs/dbraw/zinc/47/24/47/1105472447.db2.gz JFQMNQXWWKUAOI-LBPRGKRZSA-N -1 3 334.210 2.668 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OC ZINC001671561597 1105659647 /nfs/dbraw/zinc/65/96/47/1105659647.db2.gz OLBMSFONQQVYJX-QGZVFWFLSA-N -1 3 349.452 2.791 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233169 1106352615 /nfs/dbraw/zinc/35/26/15/1106352615.db2.gz HZXKSFNMIMLPCE-SCLBCKFNSA-N -1 3 332.448 2.603 10 30 EFEEHM C#CCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678772188 1107284298 /nfs/dbraw/zinc/28/42/98/1107284298.db2.gz RILSUKFNVABQIH-KRWDZBQOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678772963 1107286798 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Cc1csc(=O)n1CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904200848 1107712884 /nfs/dbraw/zinc/71/28/84/1107712884.db2.gz GMXBLTYXPUNSJU-UHFFFAOYSA-N -1 3 334.441 2.849 10 30 EFEEHM CCCCCCN([O-])C(=O)Cc1csc(N2CCCC2=O)n1 ZINC000904205595 1107720512 /nfs/dbraw/zinc/72/05/12/1107720512.db2.gz OGMOIRJELGYGOP-UHFFFAOYSA-N -1 3 325.434 2.611 10 30 EFEEHM CC(C)(C)C#CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001680995942 1108088533 /nfs/dbraw/zinc/08/85/33/1108088533.db2.gz DIBUKILVGSGHGH-MRXNPFEDSA-N -1 3 344.455 2.702 10 30 EFEEHM C=CCCCC(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001681412303 1108252780 /nfs/dbraw/zinc/25/27/80/1108252780.db2.gz ODILNMYSXYQYAG-UHFFFAOYSA-N -1 3 328.412 2.637 10 30 EFEEHM CCOC(=O)[C@H](CSC)/N=C\c1cc(Br)ccc1[O-] ZINC000905001654 1108318965 /nfs/dbraw/zinc/31/89/65/1108318965.db2.gz BTANECCCWQNMFJ-URXIRXLPSA-N -1 3 346.246 2.868 10 30 EFEEHM CCn1ccnc1C(C#N)=C([O-])c1cnn(CCC(F)(F)F)c1 ZINC001649248943 1108767893 /nfs/dbraw/zinc/76/78/93/1108767893.db2.gz OPGAGEUERBQFNP-LLVKDONJSA-N -1 3 325.294 2.542 10 30 EFEEHM C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(O)cc1[O-] ZINC000102986178 219245820 /nfs/dbraw/zinc/24/58/20/219245820.db2.gz GRPDASVKOJOMHR-XDHOZWIPSA-N -1 3 329.425 2.529 10 30 EFEEHM O=C(CCc1ccc2c(c1)OCO2)Nc1nnc(C(F)(F)F)[n-]1 ZINC000040493750 213319778 /nfs/dbraw/zinc/31/97/78/213319778.db2.gz IBMUFNGABGPKSS-UHFFFAOYSA-N -1 3 328.250 2.773 10 30 EFEEHM O=C(CCc1ccc2c(c1)OCO2)Nc1nc(C(F)(F)F)n[n-]1 ZINC000040493750 213319780 /nfs/dbraw/zinc/31/97/80/213319780.db2.gz IBMUFNGABGPKSS-UHFFFAOYSA-N -1 3 328.250 2.773 10 30 EFEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000192389364 240043308 /nfs/dbraw/zinc/04/33/08/240043308.db2.gz VRBSZALCHRJNRB-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM CCCCCCCCCCC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000194994919 240197017 /nfs/dbraw/zinc/19/70/17/240197017.db2.gz BEVMHRZZPPUBBW-SFHVURJKSA-N -1 3 337.464 2.718 10 30 EFEEHM CN(C)CCCc1cc(C(=O)c2ccccc2)c(=O)c2cn(C)[n-]c1-2 ZINC000211829963 241085116 /nfs/dbraw/zinc/08/51/16/241085116.db2.gz FYUHIEMGTMMSBZ-HNNXBMFYSA-N -1 3 337.423 2.851 10 30 EFEEHM C=CCO[C@H]1CCN(c2ccc(-c3nc(CC)cc(=O)[n-]3)cn2)C1 ZINC000302177855 241193082 /nfs/dbraw/zinc/19/30/82/241193082.db2.gz RFJQRYDQLVSETE-HNNXBMFYSA-N -1 3 326.400 2.588 10 30 EFEEHM C=CCOCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000355641587 242043056 /nfs/dbraw/zinc/04/30/56/242043056.db2.gz HQYSKSMZIIMHIZ-UHFFFAOYSA-N -1 3 326.183 2.947 10 30 EFEEHM N#CCN(C(=O)Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000357368171 242094600 /nfs/dbraw/zinc/09/46/00/242094600.db2.gz DRGUWCWIPUPZLZ-UHFFFAOYSA-N -1 3 337.217 2.992 10 30 EFEEHM CC(C)(Cc1ccc(C#N)cc1)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000412301144 243255522 /nfs/dbraw/zinc/25/55/22/243255522.db2.gz SMEZFQPNNQKTPN-MRXNPFEDSA-N -1 3 338.411 2.762 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)cc1C#N ZINC000427207685 247330300 /nfs/dbraw/zinc/33/03/00/247330300.db2.gz ZDEPZJJNGKVPSP-UHFFFAOYSA-N -1 3 349.387 2.989 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2cccc(F)c2Cl)cc1C#N ZINC000427759816 247391518 /nfs/dbraw/zinc/39/15/18/247391518.db2.gz BSAZWHLXFLOZSH-UHFFFAOYSA-N -1 3 325.752 2.855 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)s1 ZINC000435432753 248240482 /nfs/dbraw/zinc/24/04/82/248240482.db2.gz OPOFELYUSFJTOB-UHFFFAOYSA-N -1 3 329.406 2.646 10 30 EFEEHM COc1cccc(F)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435436739 248242019 /nfs/dbraw/zinc/24/20/19/248242019.db2.gz GSXCMIGQRGBQDL-VIFPVBQESA-N -1 3 340.401 2.807 10 30 EFEEHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000442827092 250128526 /nfs/dbraw/zinc/12/85/26/250128526.db2.gz KQKRVKWSSNYBSF-LLVKDONJSA-N -1 3 336.388 2.898 10 30 EFEEHM Cc1cc(F)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1F ZINC000443225593 250172543 /nfs/dbraw/zinc/17/25/43/250172543.db2.gz LONLRECOEQIUAT-UHFFFAOYSA-N -1 3 328.384 2.882 10 30 EFEEHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000443149668 250165934 /nfs/dbraw/zinc/16/59/34/250165934.db2.gz XVZNSOYRNLIVPS-GFCCVEGCSA-N -1 3 335.351 2.707 10 30 EFEEHM CC[C@@H](CC#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444368165 250293526 /nfs/dbraw/zinc/29/35/26/250293526.db2.gz WQIOCGHLHAUBKS-JTQLQIEISA-N -1 3 348.200 2.713 10 30 EFEEHM CC[C@H](CC#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444368166 250293549 /nfs/dbraw/zinc/29/35/49/250293549.db2.gz WQIOCGHLHAUBKS-SNVBAGLBSA-N -1 3 348.200 2.713 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)c1 ZINC000349322301 142320486 /nfs/dbraw/zinc/32/04/86/142320486.db2.gz BOGVWRJMKJCLFD-UHFFFAOYSA-N -1 3 348.341 2.548 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)c1 ZINC000349322301 142320487 /nfs/dbraw/zinc/32/04/87/142320487.db2.gz BOGVWRJMKJCLFD-UHFFFAOYSA-N -1 3 348.341 2.548 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000352727312 142540460 /nfs/dbraw/zinc/54/04/60/142540460.db2.gz FSTTXIGVXUDYPT-UHFFFAOYSA-N -1 3 341.845 2.579 10 30 EFEEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)s1 ZINC000359989150 148244038 /nfs/dbraw/zinc/24/40/38/148244038.db2.gz VZNMHNGCTVOYPR-JTQLQIEISA-N -1 3 339.417 2.643 10 30 EFEEHM N#Cc1ccc(NC(=O)NCc2nnc(C(F)(F)F)[n-]2)c(Cl)c1 ZINC000360205574 148298979 /nfs/dbraw/zinc/29/89/79/148298979.db2.gz BVCURKRPJLWSBR-UHFFFAOYSA-N -1 3 344.684 2.670 10 30 EFEEHM N#Cc1ccc(NC(=O)NCc2n[n-]c(C(F)(F)F)n2)c(Cl)c1 ZINC000360205574 148298980 /nfs/dbraw/zinc/29/89/80/148298980.db2.gz BVCURKRPJLWSBR-UHFFFAOYSA-N -1 3 344.684 2.670 10 30 EFEEHM N#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC000360205574 148298982 /nfs/dbraw/zinc/29/89/82/148298982.db2.gz BVCURKRPJLWSBR-UHFFFAOYSA-N -1 3 344.684 2.670 10 30 EFEEHM Cc1nsc([N-]C(=O)Nc2cc(C3CCOCC3)[nH]n2)c1C#N ZINC000297484362 267707909 /nfs/dbraw/zinc/70/79/09/267707909.db2.gz SNUIPPUCRUXNEV-UHFFFAOYSA-N -1 3 332.389 2.584 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000528499903 268257802 /nfs/dbraw/zinc/25/78/02/268257802.db2.gz QXRGDETURPPNOL-QGZVFWFLSA-N -1 3 345.399 2.912 10 30 EFEEHM N#Cc1ccccc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025375785 303207925 /nfs/dbraw/zinc/20/79/25/303207925.db2.gz QVUYHEAYVTUDJQ-NWDGAFQWSA-N -1 3 332.347 2.958 10 30 EFEEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)s1 ZINC000134939348 310648052 /nfs/dbraw/zinc/64/80/52/310648052.db2.gz DMWJMTLXXAJVBV-VIFPVBQESA-N -1 3 325.390 2.502 10 30 EFEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000162074728 310715229 /nfs/dbraw/zinc/71/52/29/310715229.db2.gz ZIPYGCLCKPOXHS-SNVBAGLBSA-N -1 3 339.417 2.643 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CCC2=O ZINC000556365839 318388486 /nfs/dbraw/zinc/38/84/86/318388486.db2.gz UODGNMDMXDSWPY-UHFFFAOYSA-N -1 3 349.390 2.976 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000578442988 320207229 /nfs/dbraw/zinc/20/72/29/320207229.db2.gz RICSOISXSICDDE-INIZCTEOSA-N -1 3 338.429 2.512 10 30 EFEEHM Cn1cc(C#N)cc1C(=O)Nc1n[n-]c(-c2ccccc2Cl)n1 ZINC000081747607 473248891 /nfs/dbraw/zinc/24/88/91/473248891.db2.gz ZNLRSHUJHXAXCE-UHFFFAOYSA-N -1 3 326.747 2.972 10 30 EFEEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 ZINC000151490004 473464510 /nfs/dbraw/zinc/46/45/10/473464510.db2.gz FZBWRUQXULGQRL-CQSZACIVSA-N -1 3 339.417 2.758 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CC1 ZINC000582348020 478573693 /nfs/dbraw/zinc/57/36/93/478573693.db2.gz YFEAGUQSINKFRS-UHFFFAOYSA-N -1 3 349.637 2.685 10 30 EFEEHM C=CCCC1(CNC(=O)CNC(=O)c2ccc([O-])cc2)CCCC1 ZINC000622137147 479922214 /nfs/dbraw/zinc/92/22/14/479922214.db2.gz KXXXCSXCRQIFHQ-UHFFFAOYSA-N -1 3 330.428 2.765 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000005270107 471496479 /nfs/dbraw/zinc/49/64/79/471496479.db2.gz ZKSJRHUYDNEJTH-IBGZPJMESA-N -1 3 349.434 2.990 10 30 EFEEHM CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC#N)[n-]2)cc1 ZINC000005927766 471525501 /nfs/dbraw/zinc/52/55/01/471525501.db2.gz BZTZCURYINGGRZ-GZTJUZNOSA-N -1 3 329.433 2.713 10 30 EFEEHM C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2C1=O ZINC000008241654 471673787 /nfs/dbraw/zinc/67/37/87/471673787.db2.gz GEZKSGVMANFFTQ-UHFFFAOYSA-N -1 3 336.347 2.735 10 30 EFEEHM CC(C)[C@@](C)(C#N)NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008935808 471707332 /nfs/dbraw/zinc/70/73/32/471707332.db2.gz VHMUAGPKOMAJBQ-CQSZACIVSA-N -1 3 335.458 2.680 10 30 EFEEHM O=C(CCCC1CCN(C(=O)c2cc3ccccc3o2)CC1)N[O-] ZINC000036475752 472001978 /nfs/dbraw/zinc/00/19/78/472001978.db2.gz DQYVXXFCGPNKGF-UHFFFAOYSA-N -1 3 330.384 2.961 10 30 EFEEHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000069118346 472294754 /nfs/dbraw/zinc/29/47/54/472294754.db2.gz UPGMMOPQIWKHDJ-UHFFFAOYSA-N -1 3 349.200 2.538 10 30 EFEEHM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000069118346 472294762 /nfs/dbraw/zinc/29/47/62/472294762.db2.gz UPGMMOPQIWKHDJ-UHFFFAOYSA-N -1 3 349.200 2.538 10 30 EFEEHM COc1ccc(F)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000088210809 472347719 /nfs/dbraw/zinc/34/77/19/472347719.db2.gz BRVPGGVHANVVOJ-UHFFFAOYSA-N -1 3 343.358 2.582 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000077393308 472519494 /nfs/dbraw/zinc/51/94/94/472519494.db2.gz WJJBIAMKKCATMW-INIZCTEOSA-N -1 3 328.393 2.587 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)CCNC(=O)[C@@H]3C[C@@H]3C)n[n-]2)s1 ZINC000058228552 472523900 /nfs/dbraw/zinc/52/39/00/472523900.db2.gz GVPOSGOIUGDPMP-WCBMZHEXSA-N -1 3 333.417 2.592 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)CCNC(=O)[C@H]3C[C@H]3C)n[n-]2)s1 ZINC000058228560 472524005 /nfs/dbraw/zinc/52/40/05/472524005.db2.gz GVPOSGOIUGDPMP-SCZZXKLOSA-N -1 3 333.417 2.592 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000077606271 472565080 /nfs/dbraw/zinc/56/50/80/472565080.db2.gz HEVQCGUFIFGULZ-UHFFFAOYSA-N -1 3 344.152 2.932 10 30 EFEEHM Cc1cc(C)nc(SCC(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC000047471446 472718401 /nfs/dbraw/zinc/71/84/01/472718401.db2.gz SBSWTWVXKMTXCK-UHFFFAOYSA-N -1 3 332.311 2.611 10 30 EFEEHM Cc1cc(C)nc(SCC(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC000047471446 472718406 /nfs/dbraw/zinc/71/84/06/472718406.db2.gz SBSWTWVXKMTXCK-UHFFFAOYSA-N -1 3 332.311 2.611 10 30 EFEEHM COCc1nc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)cs1 ZINC000121934816 472948282 /nfs/dbraw/zinc/94/82/82/472948282.db2.gz LMPQRUYMWSKTOA-UHFFFAOYSA-N -1 3 328.397 2.687 10 30 EFEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000135682007 473106065 /nfs/dbraw/zinc/10/60/65/473106065.db2.gz MTYRJGCVRIWJEN-UHFFFAOYSA-N -1 3 348.399 2.617 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccsc2)c1 ZINC000160787859 473175109 /nfs/dbraw/zinc/17/51/09/473175109.db2.gz IXGWJUULLKHOIK-UHFFFAOYSA-N -1 3 326.830 2.794 10 30 EFEEHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)cc1F ZINC000178129801 473468487 /nfs/dbraw/zinc/46/84/87/473468487.db2.gz IMRWHZRAFJLXKL-UHFFFAOYSA-N -1 3 340.326 2.763 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1COc2ccccc21 ZINC000167573661 473537887 /nfs/dbraw/zinc/53/78/87/473537887.db2.gz RHKOPKZQIYQPBT-BXUZGUMPSA-N -1 3 346.383 2.540 10 30 EFEEHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178817747 473571301 /nfs/dbraw/zinc/57/13/01/473571301.db2.gz HNGKQUBHQQBJOE-CYBMUJFWSA-N -1 3 348.399 2.581 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)c3ccccc3C#N)CCC2)n1 ZINC000269754042 473879959 /nfs/dbraw/zinc/87/99/59/473879959.db2.gz ARXCRZYQEULZID-UHFFFAOYSA-N -1 3 333.438 2.681 10 30 EFEEHM COc1ccc(C[C@H](C)/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000264347662 473960744 /nfs/dbraw/zinc/96/07/44/473960744.db2.gz KRLPWMDKTYFKIS-VSMYLPJWSA-N -1 3 331.368 2.871 10 30 EFEEHM COc1ccc(C[C@@H](C)/N=C/c2ccc(O)c([O-])c2O)cc1OC ZINC000264347664 473960895 /nfs/dbraw/zinc/96/08/95/473960895.db2.gz KRLPWMDKTYFKIS-VURRPDKYSA-N -1 3 331.368 2.871 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000617037274 480076800 /nfs/dbraw/zinc/07/68/00/480076800.db2.gz KKJPLPXQCQZCFP-XJKSGUPXSA-N -1 3 336.457 2.923 10 30 EFEEHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000188375851 474074796 /nfs/dbraw/zinc/07/47/96/474074796.db2.gz CGAWYCOCMCBPLJ-LJQANCHMSA-N -1 3 341.411 2.913 10 30 EFEEHM N#Cc1ccc(OC2CCC(NC(=O)c3cccc([O-])c3)CC2)nc1 ZINC000182971440 474299346 /nfs/dbraw/zinc/29/93/46/474299346.db2.gz ZJOMGLWXHLHWDZ-UHFFFAOYSA-N -1 3 337.379 2.779 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(C#N)c3)CCC2)n1 ZINC000266845650 474501500 /nfs/dbraw/zinc/50/15/00/474501500.db2.gz OYWKOPZXVHGXNH-UHFFFAOYSA-N -1 3 333.438 2.681 10 30 EFEEHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000609134294 480116429 /nfs/dbraw/zinc/11/64/29/480116429.db2.gz FUSVEOTUOVPHFW-YGRLFVJLSA-N -1 3 334.372 2.892 10 30 EFEEHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)o1 ZINC000609134292 480116836 /nfs/dbraw/zinc/11/68/36/480116836.db2.gz FUSVEOTUOVPHFW-IINYFYTJSA-N -1 3 334.372 2.892 10 30 EFEEHM [O-]c1csc(NN=Cc2ccccc2OCc2ccc(F)cc2)n1 ZINC000252461186 474660140 /nfs/dbraw/zinc/66/01/40/474660140.db2.gz LCZCGHKHOCLEOP-UHFFFAOYSA-N -1 3 343.383 2.958 10 30 EFEEHM CCOc1cc(C=N[O-])cc(I)c1OCC ZINC000252622469 474700381 /nfs/dbraw/zinc/70/03/81/474700381.db2.gz NVZJOFOXXHQJRF-UHFFFAOYSA-N -1 3 335.141 2.897 10 30 EFEEHM CNC(=O)C1CCC(/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000273159733 474749009 /nfs/dbraw/zinc/74/90/09/474749009.db2.gz AZBKFMHMTXQKMB-GIJQJNRQSA-N -1 3 339.233 2.878 10 30 EFEEHM C=C(CC)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000313482295 474855112 /nfs/dbraw/zinc/85/51/12/474855112.db2.gz MEMDMVDNMGSCHK-UHFFFAOYSA-N -1 3 334.235 2.702 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1sccc1OC ZINC000285240836 474941625 /nfs/dbraw/zinc/94/16/25/474941625.db2.gz GNFHAUKZFKGYFJ-AWEZNQCLSA-N -1 3 335.450 2.670 10 30 EFEEHM O=S(=O)(c1ccc(N=Cc2ccc(O)cc2[O-])cc1)N1CCCC1 ZINC000257354428 474967008 /nfs/dbraw/zinc/96/70/08/474967008.db2.gz XRUFCMCFDJFCDI-UHFFFAOYSA-N -1 3 346.408 2.633 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000279670720 474985389 /nfs/dbraw/zinc/98/53/89/474985389.db2.gz DKPWPEOVAWEWRB-UHFFFAOYSA-N -1 3 334.800 2.682 10 30 EFEEHM C=CCC(F)(F)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000293503781 475011572 /nfs/dbraw/zinc/01/15/72/475011572.db2.gz OYJFVURLKNVVKU-UHFFFAOYSA-N -1 3 347.745 2.759 10 30 EFEEHM C=CCn1c(S(=O)(=O)Cc2c(C)c(C)c(C)c(C)c2C)n[n-]c1=O ZINC000341350606 475043597 /nfs/dbraw/zinc/04/35/97/475043597.db2.gz MKMBLNDNHGTRRQ-UHFFFAOYSA-N -1 3 349.456 2.686 10 30 EFEEHM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(F)cc3nn[n-]c31)CC2 ZINC000328663597 475051694 /nfs/dbraw/zinc/05/16/94/475051694.db2.gz YAUFRPIFIADKOG-GFCCVEGCSA-N -1 3 342.378 2.737 10 30 EFEEHM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(F)cc3[n-]nnc31)CC2 ZINC000328663597 475051700 /nfs/dbraw/zinc/05/17/00/475051700.db2.gz YAUFRPIFIADKOG-GFCCVEGCSA-N -1 3 342.378 2.737 10 30 EFEEHM CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000328663597 475051705 /nfs/dbraw/zinc/05/17/05/475051705.db2.gz YAUFRPIFIADKOG-GFCCVEGCSA-N -1 3 342.378 2.737 10 30 EFEEHM C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000337504870 475077753 /nfs/dbraw/zinc/07/77/53/475077753.db2.gz PFKVALBDPGMIGB-UHFFFAOYSA-N -1 3 342.370 2.905 10 30 EFEEHM C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000337513293 475085005 /nfs/dbraw/zinc/08/50/05/475085005.db2.gz NMNRHTZGOVAFFN-UHFFFAOYSA-N -1 3 348.424 2.867 10 30 EFEEHM N#CCCOCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000292563541 475090771 /nfs/dbraw/zinc/09/07/71/475090771.db2.gz BXHFFEOMAXJXRP-UHFFFAOYSA-N -1 3 341.396 2.543 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccncc1 ZINC000613934148 480150140 /nfs/dbraw/zinc/15/01/40/480150140.db2.gz AKKJBGKCQLNYOG-LLVKDONJSA-N -1 3 335.816 2.689 10 30 EFEEHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331243925 475328541 /nfs/dbraw/zinc/32/85/41/475328541.db2.gz SFXNEADSUROIEH-WDEREUQCSA-N -1 3 334.416 2.714 10 30 EFEEHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)Cc1ccc(C#N)cc1F ZINC000341884907 475382709 /nfs/dbraw/zinc/38/27/09/475382709.db2.gz ILIJWSXCSWCBOU-APPDUMDISA-N -1 3 346.383 2.639 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3cc[nH]c3n2)c1 ZINC000352531114 475386393 /nfs/dbraw/zinc/38/63/93/475386393.db2.gz OBXQAUSSGUCEMR-UHFFFAOYSA-N -1 3 346.799 2.566 10 30 EFEEHM CC[C@](C)([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nccs1 ZINC000352863498 475659192 /nfs/dbraw/zinc/65/91/92/475659192.db2.gz VKXHBRZRPGQOIE-ZDUSSCGKSA-N -1 3 327.475 2.772 10 30 EFEEHM CN(CC(C)(C)C#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000353204169 475767924 /nfs/dbraw/zinc/76/79/24/475767924.db2.gz CWYZKAQDQUDSDC-UHFFFAOYSA-N -1 3 325.206 2.705 10 30 EFEEHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC000356387863 476103227 /nfs/dbraw/zinc/10/32/27/476103227.db2.gz IGWXUQSDOABCKV-UHFFFAOYSA-N -1 3 346.394 2.844 10 30 EFEEHM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC000356387863 476103235 /nfs/dbraw/zinc/10/32/35/476103235.db2.gz IGWXUQSDOABCKV-UHFFFAOYSA-N -1 3 346.394 2.844 10 30 EFEEHM C=CCC(F)(F)c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000340573730 476115365 /nfs/dbraw/zinc/11/53/65/476115365.db2.gz OECQNYGGQXVSTB-UHFFFAOYSA-N -1 3 329.328 2.776 10 30 EFEEHM Cc1nsc([N-]C(=O)c2nnn(CC3CCCC3)c2C)c1C#N ZINC000298617283 476128912 /nfs/dbraw/zinc/12/89/12/476128912.db2.gz LFSCNQVIGZEHKE-UHFFFAOYSA-N -1 3 330.417 2.666 10 30 EFEEHM Cc1nsc([N-]C(=O)c2cc(C)nc(C(F)(F)F)n2)c1C#N ZINC000298715187 476130927 /nfs/dbraw/zinc/13/09/27/476130927.db2.gz RMFPKKDUXKXFKB-UHFFFAOYSA-N -1 3 327.291 2.693 10 30 EFEEHM Cc1csc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)n1 ZINC000354080221 476411866 /nfs/dbraw/zinc/41/18/66/476411866.db2.gz QZTNMHNMETUMEA-ZDUSSCGKSA-N -1 3 339.486 2.906 10 30 EFEEHM N#CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000352176091 476527989 /nfs/dbraw/zinc/52/79/89/476527989.db2.gz ZUYXHWKTXKGYQV-KRWDZBQOSA-N -1 3 347.374 2.735 10 30 EFEEHM Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c([O-])c1 ZINC000374902141 476582646 /nfs/dbraw/zinc/58/26/46/476582646.db2.gz XLMLVYCYDHPLPM-UHFFFAOYSA-N -1 3 349.434 2.989 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)NCc3ccc([O-])c(F)c3)CC2)c1 ZINC000354371821 476616888 /nfs/dbraw/zinc/61/68/88/476616888.db2.gz PXIQFEPGIYGJDO-UHFFFAOYSA-N -1 3 328.318 2.890 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352329093 476639476 /nfs/dbraw/zinc/63/94/76/476639476.db2.gz KEKJGHRGYRUMKG-UHFFFAOYSA-N -1 3 338.738 2.832 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)ccc1Cl ZINC000352353279 476657007 /nfs/dbraw/zinc/65/70/07/476657007.db2.gz VIIJTINKXXAKEP-UHFFFAOYSA-N -1 3 338.738 2.832 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000443036166 476706701 /nfs/dbraw/zinc/70/67/01/476706701.db2.gz LPIFSPWIUBIWCR-MRXNPFEDSA-N -1 3 330.384 2.533 10 30 EFEEHM Cc1cc(Br)c(S(=O)(=O)[N-]CC2(CC#N)CC2)s1 ZINC000429970074 476727435 /nfs/dbraw/zinc/72/74/35/476727435.db2.gz BECKPGRKTZRHAX-UHFFFAOYSA-N -1 3 349.275 2.791 10 30 EFEEHM Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000456973629 476811403 /nfs/dbraw/zinc/81/14/03/476811403.db2.gz WLNCRBIBNJNVEF-KRWDZBQOSA-N -1 3 349.390 2.816 10 30 EFEEHM CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000431564851 477051674 /nfs/dbraw/zinc/05/16/74/477051674.db2.gz NDMGZGUJUXUXKW-UHFFFAOYSA-N -1 3 325.390 2.569 10 30 EFEEHM CC(C)(CC#N)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000457993059 477276851 /nfs/dbraw/zinc/27/68/51/477276851.db2.gz MEYRZINSBDWYCU-UHFFFAOYSA-N -1 3 325.206 2.753 10 30 EFEEHM N#CC1(NC(=O)c2ccccc2[O-])CCN(Cc2ccccc2)CC1 ZINC000371542349 477378983 /nfs/dbraw/zinc/37/89/83/477378983.db2.gz KGRFOIHEMBHFRD-UHFFFAOYSA-N -1 3 335.407 2.680 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc2ncsc2c1 ZINC000428416933 477889334 /nfs/dbraw/zinc/88/93/34/477889334.db2.gz BTNYFOWUMAGBEJ-JTQLQIEISA-N -1 3 344.421 2.602 10 30 EFEEHM COCCOc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000459576586 477984424 /nfs/dbraw/zinc/98/44/24/477984424.db2.gz GMZMGTJEGKDKRZ-UHFFFAOYSA-N -1 3 332.385 2.992 10 30 EFEEHM C[C@H](C#N)CN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C1CC1 ZINC000532816801 477995579 /nfs/dbraw/zinc/99/55/79/477995579.db2.gz RUROSGQWXLFTQK-CYBMUJFWSA-N -1 3 348.410 2.645 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCC2CCOCC2)c1 ZINC000451604474 478120575 /nfs/dbraw/zinc/12/05/75/478120575.db2.gz AXBAJCYCVWZTNM-UHFFFAOYSA-N -1 3 342.848 2.697 10 30 EFEEHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)c1 ZINC000579718994 478346124 /nfs/dbraw/zinc/34/61/24/478346124.db2.gz QOQDVOABAPPMCF-MRXNPFEDSA-N -1 3 325.430 2.808 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000520895238 478354095 /nfs/dbraw/zinc/35/40/95/478354095.db2.gz ZRZVCSHDQMUCIZ-SNVBAGLBSA-N -1 3 329.418 2.706 10 30 EFEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccc(C)c(C#N)c1 ZINC000600510627 478396701 /nfs/dbraw/zinc/39/67/01/478396701.db2.gz GJWCJQVPHHGIPJ-UHFFFAOYSA-N -1 3 329.381 2.750 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CC2)[C@H]2CCCCO2)CCCCC1 ZINC000594475543 478402341 /nfs/dbraw/zinc/40/23/41/478402341.db2.gz VJSJATCUFSMQQG-HZPDHXFCSA-N -1 3 340.489 2.728 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000594485854 478407875 /nfs/dbraw/zinc/40/78/75/478407875.db2.gz BYRJXBGFQOJJOA-KBPBESRZSA-N -1 3 342.848 2.838 10 30 EFEEHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H](C#N)C(C)C ZINC000594576981 478445755 /nfs/dbraw/zinc/44/57/55/478445755.db2.gz MSWJSYAXTQGLAD-ZDUSSCGKSA-N -1 3 345.262 2.725 10 30 EFEEHM N#Cc1ccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)cc1 ZINC000594659665 478483017 /nfs/dbraw/zinc/48/30/17/478483017.db2.gz HDHVJIRQFJRAAS-SFHVURJKSA-N -1 3 330.391 2.783 10 30 EFEEHM C[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594752527 478530157 /nfs/dbraw/zinc/53/01/57/478530157.db2.gz ROESKNXORIRXFM-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594812354 478548919 /nfs/dbraw/zinc/54/89/19/478548919.db2.gz BSEDBACCUHRWBP-UHFFFAOYSA-N -1 3 335.454 2.845 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(F)F ZINC000594859350 478564293 /nfs/dbraw/zinc/56/42/93/478564293.db2.gz YPIAZMNJTARKID-GFCCVEGCSA-N -1 3 334.775 2.925 10 30 EFEEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594870025 478567911 /nfs/dbraw/zinc/56/79/11/478567911.db2.gz XZUUDJULGNAKJH-UHFFFAOYSA-N -1 3 337.401 2.656 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]CC1(C#N)CCCCC1)C1CCCC1 ZINC000594884173 478571885 /nfs/dbraw/zinc/57/18/85/478571885.db2.gz JHPQXYHJNVAWLM-OAHLLOKOSA-N -1 3 328.478 2.585 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000582736028 478672826 /nfs/dbraw/zinc/67/28/26/478672826.db2.gz RJKNDCIWZVMHOQ-UHFFFAOYSA-N -1 3 329.418 2.708 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2sccc2Br)CCC1 ZINC000582753086 478675344 /nfs/dbraw/zinc/67/53/44/478675344.db2.gz PFLIZVKGSHYEDH-UHFFFAOYSA-N -1 3 349.275 2.624 10 30 EFEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528326052 478721810 /nfs/dbraw/zinc/72/18/10/478721810.db2.gz JLCNRWXNLZAIEM-VIFPVBQESA-N -1 3 339.335 2.837 10 30 EFEEHM C=CCOc1cccnc1C(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000543507669 478749609 /nfs/dbraw/zinc/74/96/09/478749609.db2.gz HZPXMDUOUVGBTN-UHFFFAOYSA-N -1 3 327.388 2.995 10 30 EFEEHM Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000595386543 478756735 /nfs/dbraw/zinc/75/67/35/478756735.db2.gz DPFLHXINSVHIMB-OAHLLOKOSA-N -1 3 327.409 2.618 10 30 EFEEHM CC1(C)CC([N-]S(=O)(=O)c2cccc(Br)c2C#N)C1 ZINC000595389165 478759746 /nfs/dbraw/zinc/75/97/46/478759746.db2.gz LZYZHUNQYLOUCS-UHFFFAOYSA-N -1 3 343.246 2.788 10 30 EFEEHM CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@@H](C)C#N ZINC000598360501 478787413 /nfs/dbraw/zinc/78/74/13/478787413.db2.gz WKHMNXNMWKDEAW-VIFPVBQESA-N -1 3 348.200 2.665 10 30 EFEEHM CCN(C(=O)c1cnc2ccc(Br)cc2c1[O-])[C@@H](C)C#N ZINC000598360501 478787417 /nfs/dbraw/zinc/78/74/17/478787417.db2.gz WKHMNXNMWKDEAW-VIFPVBQESA-N -1 3 348.200 2.665 10 30 EFEEHM CCc1nc(C[N-]S(=O)(=O)c2c(C)cc(F)cc2C#N)cs1 ZINC000601339788 478794697 /nfs/dbraw/zinc/79/46/97/478794697.db2.gz HENGLUIVQANNKZ-UHFFFAOYSA-N -1 3 339.417 2.503 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2([C@@H]3CCCCO3)CCC2)s1 ZINC000601514784 478860414 /nfs/dbraw/zinc/86/04/14/478860414.db2.gz AOXAAFRTMCCOAX-ZDUSSCGKSA-N -1 3 340.470 2.637 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCc3cccnc32)c1 ZINC000601526375 478865359 /nfs/dbraw/zinc/86/53/59/478865359.db2.gz LECYIIWCAWSFIR-ZDUSSCGKSA-N -1 3 347.827 2.615 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)CCCC1 ZINC000601539109 478870131 /nfs/dbraw/zinc/87/01/31/478870131.db2.gz MHZZNRSKCLRBGT-CQSZACIVSA-N -1 3 328.384 2.840 10 30 EFEEHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592384168 478876621 /nfs/dbraw/zinc/87/66/21/478876621.db2.gz LAYYHBUHTUNJKC-OAHLLOKOSA-N -1 3 338.454 2.807 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)C1CC1 ZINC000592383455 478878441 /nfs/dbraw/zinc/87/84/41/478878441.db2.gz VSIIIXMOUUPNJU-CKDBGZEDSA-N -1 3 342.505 2.829 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-][C@H](C(F)F)C2CCCCC2)cc1C#N ZINC000598628240 478933462 /nfs/dbraw/zinc/93/34/62/478933462.db2.gz MXOOVZBQHRVMJO-AWEZNQCLSA-N -1 3 343.399 2.754 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000565222536 478955497 /nfs/dbraw/zinc/95/54/97/478955497.db2.gz SCPKEYLDLHBEAB-UHFFFAOYSA-N -1 3 329.393 2.637 10 30 EFEEHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1[C@H]1CCOC1 ZINC000528913687 478984666 /nfs/dbraw/zinc/98/46/66/478984666.db2.gz CYZCECGFTLEXEI-DOTOQJQBSA-N -1 3 338.411 2.963 10 30 EFEEHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000569052910 479133930 /nfs/dbraw/zinc/13/39/30/479133930.db2.gz BNYUWDBVSMFXKI-DOMZBBRYSA-N -1 3 340.420 2.515 10 30 EFEEHM CC(=O)N1CCc2c1cccc2NC(=O)[N-]c1snc(C)c1C#N ZINC000584515354 479161388 /nfs/dbraw/zinc/16/13/88/479161388.db2.gz IKOVNRAKYUZVFJ-UHFFFAOYSA-N -1 3 341.396 2.876 10 30 EFEEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000599431409 479294234 /nfs/dbraw/zinc/29/42/34/479294234.db2.gz HWSDMXLZKVUUSR-UHFFFAOYSA-N -1 3 342.289 2.901 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000593535028 479379847 /nfs/dbraw/zinc/37/98/47/479379847.db2.gz SLPGDCKRWUUMGD-UHFFFAOYSA-N -1 3 347.465 2.698 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1cccs1 ZINC000593553159 479386424 /nfs/dbraw/zinc/38/64/24/479386424.db2.gz QGZZGFUTTHYGLU-JTQLQIEISA-N -1 3 326.468 2.838 10 30 EFEEHM CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593559980 479387175 /nfs/dbraw/zinc/38/71/75/479387175.db2.gz QFINQZNINLCKLQ-MNOVXSKESA-N -1 3 330.500 2.962 10 30 EFEEHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593565752 479389136 /nfs/dbraw/zinc/38/91/36/479389136.db2.gz HSIOWHPLJFMQEG-UHFFFAOYSA-N -1 3 328.459 2.634 10 30 EFEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593565167 479389277 /nfs/dbraw/zinc/38/92/77/479389277.db2.gz FRKBYBRICHGLRL-UHFFFAOYSA-N -1 3 336.438 2.539 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000593572251 479391598 /nfs/dbraw/zinc/39/15/98/479391598.db2.gz LAYKHQHJXOEPNV-XJKSGUPXSA-N -1 3 348.449 2.676 10 30 EFEEHM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593579362 479392210 /nfs/dbraw/zinc/39/22/10/479392210.db2.gz WVKSTQPEQXNDCN-UHFFFAOYSA-N -1 3 333.413 2.517 10 30 EFEEHM CCCc1ncc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593610702 479401667 /nfs/dbraw/zinc/40/16/67/479401667.db2.gz ZVKYBANKVCEDKQ-UHFFFAOYSA-N -1 3 347.440 2.907 10 30 EFEEHM CC(C)(C)OC(=O)C1([N-]S(=O)(=O)CCCC#N)CCCCCC1 ZINC000593642596 479411667 /nfs/dbraw/zinc/41/16/67/479411667.db2.gz WELZXQRGAGHBCD-UHFFFAOYSA-N -1 3 344.477 2.644 10 30 EFEEHM Cc1nccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1Cl ZINC000611566971 479417441 /nfs/dbraw/zinc/41/74/41/479417441.db2.gz AAHOWMHBCFDXLS-UHFFFAOYSA-N -1 3 342.207 2.791 10 30 EFEEHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccccc1Cl ZINC000589225080 479503415 /nfs/dbraw/zinc/50/34/15/479503415.db2.gz YTWBMTOLDIBNON-AWEZNQCLSA-N -1 3 342.848 2.641 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cccnc21 ZINC000594071911 479579357 /nfs/dbraw/zinc/57/93/57/479579357.db2.gz SNMXICALDGXZHC-UHFFFAOYSA-N -1 3 336.395 2.583 10 30 EFEEHM COc1ccc(CN2CC[C@](C)(C#N)C2)c(Br)c1[O-] ZINC000597230556 479633506 /nfs/dbraw/zinc/63/35/06/479633506.db2.gz HBVHDRUOZAEPQZ-CQSZACIVSA-N -1 3 325.206 2.899 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(Cl)o1 ZINC000612572538 479697507 /nfs/dbraw/zinc/69/75/07/479697507.db2.gz NZKDHHDJHBGGQI-UHFFFAOYSA-N -1 3 333.775 2.771 10 30 EFEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)c1 ZINC000625111418 479774387 /nfs/dbraw/zinc/77/43/87/479774387.db2.gz MOLJWMGGRFRUIW-MRXNPFEDSA-N -1 3 325.430 2.808 10 30 EFEEHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180512 479803104 /nfs/dbraw/zinc/80/31/04/479803104.db2.gz OWYIACRUMODWAP-XHDPSFHLSA-N -1 3 331.384 2.533 10 30 EFEEHM CCc1cc([N-]C(=O)c2ccc(COc3ccc(C#N)cc3)o2)no1 ZINC000610074746 480234316 /nfs/dbraw/zinc/23/43/16/480234316.db2.gz HEOSTSFINMRHMV-UHFFFAOYSA-N -1 3 337.335 2.955 10 30 EFEEHM C=CCN(C(=O)Cc1ccc(Br)cc1[O-])[C@@H](C)COC ZINC000617582676 480288103 /nfs/dbraw/zinc/28/81/03/480288103.db2.gz RXOIAQYOUCNQNN-NSHDSACASA-N -1 3 342.233 2.747 10 30 EFEEHM O=C(COCC(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000626427394 480353262 /nfs/dbraw/zinc/35/32/62/480353262.db2.gz PLAOTXWZYPANAY-LLVKDONJSA-N -1 3 333.203 2.966 10 30 EFEEHM C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617781452 480361199 /nfs/dbraw/zinc/36/11/99/480361199.db2.gz MTNKTFVCLDUHRW-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCCCO1 ZINC000610715855 480371982 /nfs/dbraw/zinc/37/19/82/480371982.db2.gz QPLZXTZRZZISJN-OAHLLOKOSA-N -1 3 340.420 2.571 10 30 EFEEHM C=CCC1(C(=O)N=c2cc(-c3ccccc3OC)[n-][nH]2)CCOCC1 ZINC000644854749 480610218 /nfs/dbraw/zinc/61/02/18/480610218.db2.gz IAAHNAPNOQHQLJ-UHFFFAOYSA-N -1 3 341.411 2.819 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC000632557513 480629702 /nfs/dbraw/zinc/62/97/02/480629702.db2.gz PNTKSRXJQKEZOL-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM C=CC(C)(C)CCNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000627685756 480831282 /nfs/dbraw/zinc/83/12/82/480831282.db2.gz FTCGZRMUJVQNTP-UHFFFAOYSA-N -1 3 326.400 2.529 10 30 EFEEHM C=CCOCCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000664377915 481216522 /nfs/dbraw/zinc/21/65/22/481216522.db2.gz DLIPRYDUBZDXAR-UHFFFAOYSA-N -1 3 342.399 2.872 10 30 EFEEHM C=CCCC(C)(C)CNC(=O)N=c1[n-]n(C)cc1Br ZINC000640314698 481913671 /nfs/dbraw/zinc/91/36/71/481913671.db2.gz CLUKFGNQSJRSJN-UHFFFAOYSA-N -1 3 329.242 2.718 10 30 EFEEHM C=C(C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccccc1 ZINC000668203082 482031229 /nfs/dbraw/zinc/03/12/29/482031229.db2.gz VYVQPMKLDVEKJK-CQSZACIVSA-N -1 3 331.441 2.772 10 30 EFEEHM CCOC(=O)[C@H](C)Sc1nc(N=NC2CCCCCC2)n[n-]1 ZINC000020609158 521218243 /nfs/dbraw/zinc/21/82/43/521218243.db2.gz CTZLHSTXVKNQKT-JTQLQIEISA-N -1 3 325.438 2.971 10 30 EFEEHM CCOC(=O)[C@H](C)Sc1nnc(N=NC2CCCCCC2)[n-]1 ZINC000020609158 521218248 /nfs/dbraw/zinc/21/82/48/521218248.db2.gz CTZLHSTXVKNQKT-JTQLQIEISA-N -1 3 325.438 2.971 10 30 EFEEHM CCOC(=O)[C@H](C)Sc1n[n-]c(N=NC2CCCCCC2)n1 ZINC000020609158 521218257 /nfs/dbraw/zinc/21/82/57/521218257.db2.gz CTZLHSTXVKNQKT-JTQLQIEISA-N -1 3 325.438 2.971 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000157463931 526562993 /nfs/dbraw/zinc/56/29/93/526562993.db2.gz JQKLXWPCMZDQIF-GOEBONIOSA-N -1 3 330.384 2.779 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000368003087 534941120 /nfs/dbraw/zinc/94/11/20/534941120.db2.gz VPQHUVNCGCXQIS-CQSZACIVSA-N -1 3 330.392 2.776 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000368003087 534941123 /nfs/dbraw/zinc/94/11/23/534941123.db2.gz VPQHUVNCGCXQIS-CQSZACIVSA-N -1 3 330.392 2.776 10 30 EFEEHM N#CC[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000356400495 546092821 /nfs/dbraw/zinc/09/28/21/546092821.db2.gz VFIGHIFBPKALRT-INIZCTEOSA-N -1 3 346.394 2.817 10 30 EFEEHM N#CC[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000356400495 546092826 /nfs/dbraw/zinc/09/28/26/546092826.db2.gz VFIGHIFBPKALRT-INIZCTEOSA-N -1 3 346.394 2.817 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000657148039 547044736 /nfs/dbraw/zinc/04/47/36/547044736.db2.gz PJLPBCOMYGGASA-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM Cc1ncc(CO)c(/C=N\CCOCc2ccc(Cl)cc2)c1[O-] ZINC000753884680 575354885 /nfs/dbraw/zinc/35/48/85/575354885.db2.gz JDHMYCNMTZACPS-OCKHKDLRSA-N -1 3 334.803 2.877 10 30 EFEEHM COc1ccc(CNC(=S)NN=Cc2ccc([O-])c(F)c2)cc1 ZINC000755526705 575596756 /nfs/dbraw/zinc/59/67/56/575596756.db2.gz OYDUDVTTXRLDSN-UHFFFAOYSA-N -1 3 333.388 2.538 10 30 EFEEHM [O-]c1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)nc1 ZINC000755563034 575602330 /nfs/dbraw/zinc/60/23/30/575602330.db2.gz CCEUDHROZZOQMX-UHFFFAOYSA-N -1 3 331.788 2.870 10 30 EFEEHM [O-]c1c(O)ccc(/C=N/[C@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000757528205 575841567 /nfs/dbraw/zinc/84/15/67/575841567.db2.gz VUKFIFDDLHFZTL-NPLBWUPPSA-N -1 3 333.775 2.550 10 30 EFEEHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000759230055 575887367 /nfs/dbraw/zinc/88/73/67/575887367.db2.gz CUOHPVAVJJLLIS-WSROAFLRSA-N -1 3 328.368 2.666 10 30 EFEEHM COc1cccc([O-])c1/C=N\[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000763274959 576370614 /nfs/dbraw/zinc/37/06/14/576370614.db2.gz ATQVLHDVSSNDIU-GHOUAXAESA-N -1 3 337.379 2.618 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000765492218 577046897 /nfs/dbraw/zinc/04/68/97/577046897.db2.gz MIAYNUTZXLLKGR-NSHDSACASA-N -1 3 329.393 2.635 10 30 EFEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000765589567 577057264 /nfs/dbraw/zinc/05/72/64/577057264.db2.gz ZFYMSICHKCGGSI-ZDUSSCGKSA-N -1 3 343.770 2.843 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C/c1ccc(Br)cc1 ZINC000766046713 577101325 /nfs/dbraw/zinc/10/13/25/577101325.db2.gz AOMOXHGNXGUQRG-GWJCSSMESA-N -1 3 343.246 2.887 10 30 EFEEHM CCOc1cc(C=NN[C@H](C)CC#N)cc(Br)c1[O-] ZINC000771888397 581255139 /nfs/dbraw/zinc/25/51/39/581255139.db2.gz BRLPSTNPNVVVHE-SECBINFHSA-N -1 3 326.194 2.779 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000773058113 581391871 /nfs/dbraw/zinc/39/18/71/581391871.db2.gz RBRLPXUXYQPGGW-ZIAGYGMSSA-N -1 3 348.251 2.594 10 30 EFEEHM Cn1[n-]ccc1=NN=C1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000774411180 581490992 /nfs/dbraw/zinc/49/09/92/581490992.db2.gz PQJKJELTWOWQHC-CQSZACIVSA-N -1 3 341.415 2.628 10 30 EFEEHM CC(=NN=c1cc[n-]n1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000774414614 581491050 /nfs/dbraw/zinc/49/10/50/581491050.db2.gz PHAFTHBTMOTSKL-HNNXBMFYSA-N -1 3 346.406 2.765 10 30 EFEEHM CC(=NN=c1cc[n-]n1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000774414616 581491086 /nfs/dbraw/zinc/49/10/86/581491086.db2.gz PHAFTHBTMOTSKL-OAHLLOKOSA-N -1 3 346.406 2.765 10 30 EFEEHM CC(C)C#CC(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001745009711 1248980905 /nfs/dbraw/zinc/98/09/05/1248980905.db2.gz APKBMUYBGBFQCK-INIZCTEOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001719728953 1249097075 /nfs/dbraw/zinc/09/70/75/1249097075.db2.gz TYGLVHDXJQVDKD-OWCLPIDISA-N -1 3 344.455 2.819 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001719728952 1249097698 /nfs/dbraw/zinc/09/76/98/1249097698.db2.gz TYGLVHDXJQVDKD-BZUAXINKSA-N -1 3 344.455 2.819 10 30 EFEEHM C=CCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001745633738 1249982806 /nfs/dbraw/zinc/98/28/06/1249982806.db2.gz NIZAIKSTLVFGJQ-KRWDZBQOSA-N -1 3 338.407 2.946 10 30 EFEEHM C=CCC1(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])CCC1 ZINC001746113157 1251527863 /nfs/dbraw/zinc/52/78/63/1251527863.db2.gz FWMRJLOAWWFCOH-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@](C)(NC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001746257989 1251698055 /nfs/dbraw/zinc/69/80/55/1251698055.db2.gz UOJQSJITKODHSV-FQEVSTJZSA-N -1 3 342.439 2.763 10 30 EFEEHM Cc1nc(C)c(CC(=O)OCc2c(C)cc(C#N)cc2C)c(=O)[n-]1 ZINC000922341710 1265675262 /nfs/dbraw/zinc/67/52/62/1265675262.db2.gz UJMAAZQSSUQMFB-UHFFFAOYSA-N -1 3 325.368 2.573 10 30 EFEEHM COc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1C ZINC000921572993 1257493848 /nfs/dbraw/zinc/49/38/48/1257493848.db2.gz TVUDQKHVUAALFG-NSHDSACASA-N -1 3 336.438 2.976 10 30 EFEEHM CC[C@@H](C)CCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649040209 1257636706 /nfs/dbraw/zinc/63/67/06/1257636706.db2.gz ACESSISMSGQPHW-CYBMUJFWSA-N -1 3 332.400 2.717 10 30 EFEEHM O=C(c1cccc(N2CCNC2=O)c1)N([O-])Cc1ccccc1Cl ZINC001649041324 1257682212 /nfs/dbraw/zinc/68/22/12/1257682212.db2.gz QFBZHSPJZAXEIX-UHFFFAOYSA-N -1 3 345.786 2.901 10 30 EFEEHM CC(C)C[C@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649041370 1257686830 /nfs/dbraw/zinc/68/68/30/1257686830.db2.gz RDOUXRAHGRODOJ-ZDUSSCGKSA-N -1 3 332.400 2.573 10 30 EFEEHM O=C([C@H]1COCCN1C1CCCC1)N([O-])Cc1ccccc1Cl ZINC001649045706 1257971118 /nfs/dbraw/zinc/97/11/18/1257971118.db2.gz AFCHHBSWZXXHRY-MRXNPFEDSA-N -1 3 338.835 2.701 10 30 EFEEHM CC(C)CN1C[C@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001649046391 1257972417 /nfs/dbraw/zinc/97/24/17/1257972417.db2.gz RSQSMUULTYGBGI-QGZVFWFLSA-N -1 3 332.444 2.732 10 30 EFEEHM Cn1c(=O)oc2c1cccc2C(=O)N([O-])Cc1ccccc1Cl ZINC001649046117 1257974888 /nfs/dbraw/zinc/97/48/88/1257974888.db2.gz LLCILDAQMVTAEW-UHFFFAOYSA-N -1 3 332.743 2.817 10 30 EFEEHM Cn1ncc(C(=O)N([O-])Cc2ccccc2Cl)c1Br ZINC001649046221 1257974949 /nfs/dbraw/zinc/97/49/49/1257974949.db2.gz NSZNROJRQDOWLI-UHFFFAOYSA-N -1 3 344.596 2.868 10 30 EFEEHM CN(C[C@@H]1CCCN1C(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001486536334 1263340809 /nfs/dbraw/zinc/34/08/09/1263340809.db2.gz PLJONAYIGYOASB-HNNXBMFYSA-N -1 3 342.439 2.505 10 30 EFEEHM Cc1nsc([N-]C(=O)c2c(C)onc2-c2ccncc2)c1C#N ZINC001128319077 1264287677 /nfs/dbraw/zinc/28/76/77/1264287677.db2.gz DCFSITQIEYUOEW-UHFFFAOYSA-N -1 3 325.353 2.934 10 30 EFEEHM C=CCCC1(C(=O)NC[C@H]2CCCN2C(=O)c2ccccc2[O-])CC1 ZINC001746530090 1268542493 /nfs/dbraw/zinc/54/24/93/1268542493.db2.gz XWUNBTSMFGJFPV-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM N#Cc1ccc(NCCNC(=O)c2cc([O-])c3ccccc3c2)nc1 ZINC000792050160 1278542443 /nfs/dbraw/zinc/54/24/43/1278542443.db2.gz TVVBUFUZBXZEPR-UHFFFAOYSA-N -1 3 332.363 2.654 10 30 EFEEHM Cc1cc([O-])c(CN2CCN(c3cccc(C#N)n3)CC2)cc1Cl ZINC000825520245 1278582732 /nfs/dbraw/zinc/58/27/32/1278582732.db2.gz XYRXHMIUNKLOST-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@@H]3CCN([O-])C3=O)ccc21 ZINC000820178812 1277060925 /nfs/dbraw/zinc/06/09/25/1277060925.db2.gz BKKOMZPNZXGQKU-OAHLLOKOSA-N -1 3 330.428 2.756 10 30 EFEEHM C#CC(C)(C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000820797751 1277328686 /nfs/dbraw/zinc/32/86/86/1277328686.db2.gz CUZSKWNUUBMWTA-UHFFFAOYSA-N -1 3 336.638 2.793 10 30 EFEEHM Cc1[nH]nc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1Cl ZINC000790973866 1277907004 /nfs/dbraw/zinc/90/70/04/1277907004.db2.gz AVIWHKJIBHDZKJ-UHFFFAOYSA-N -1 3 333.779 2.532 10 30 EFEEHM COc1cc(C(=O)/C=C/c2cnnn2Cc2ccccc2)ccc1[O-] ZINC000792866407 1279202943 /nfs/dbraw/zinc/20/29/43/1279202943.db2.gz MXMIXDFJZIUAIW-CSKARUKUSA-N -1 3 335.363 2.937 10 30 EFEEHM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000845823144 1279874300 /nfs/dbraw/zinc/87/43/00/1279874300.db2.gz CGUUGSVLCHOYMP-UHFFFAOYSA-N -1 3 349.481 2.944 10 30 EFEEHM CC[C@@H](C)CO[N-]C(=O)Cc1ccc(Br)cc1C#N ZINC000846216268 1280073557 /nfs/dbraw/zinc/07/35/57/1280073557.db2.gz XTPQRADFNPECJF-SNVBAGLBSA-N -1 3 325.206 2.957 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]2(CC2(F)F)C1 ZINC000846572157 1280269919 /nfs/dbraw/zinc/26/99/19/1280269919.db2.gz VIQRQMYZBQSKDP-QGZVFWFLSA-N -1 3 349.381 2.856 10 30 EFEEHM COC(=O)c1cc(F)ccc1COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184496 1284094239 /nfs/dbraw/zinc/09/42/39/1284094239.db2.gz OYHTYQJOXQNLSS-UHFFFAOYSA-N -1 3 329.283 2.547 10 30 EFEEHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1cc(F)ccc1F ZINC000811187227 1284097491 /nfs/dbraw/zinc/09/74/91/1284097491.db2.gz CBRVGDCYPJTGFM-SECBINFHSA-N -1 3 331.274 2.970 10 30 EFEEHM C[C@@H](OC(=O)c1cc2cc(Cl)sc2[n-]1)C(=O)N(C)CCC#N ZINC000811395055 1284284094 /nfs/dbraw/zinc/28/40/94/1284284094.db2.gz SRZCCVFKMLFMRA-MRVPVSSYSA-N -1 3 339.804 2.800 10 30 EFEEHM Cc1ncc(CO)c(/C=N\C[C@H]2CC[C@@H](c3ccccc3)O2)c1[O-] ZINC000811625205 1284441089 /nfs/dbraw/zinc/44/10/89/1284441089.db2.gz GUPUHJMFBCDJBT-RKZBXQSVSA-N -1 3 326.396 2.927 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccc(F)cc1 ZINC000812526410 1285214514 /nfs/dbraw/zinc/21/45/14/1285214514.db2.gz JKPCWZPRJWTHMO-AWEZNQCLSA-N -1 3 343.301 2.896 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(F)cc1 ZINC000812527501 1285215776 /nfs/dbraw/zinc/21/57/76/1285215776.db2.gz UBOQYOFTBPNIQF-GFCCVEGCSA-N -1 3 343.301 2.896 10 30 EFEEHM C#C[C@@H]([N-]C(=O)C(F)(F)C1(O)CCCCC1)c1ccc(F)cc1 ZINC000812751825 1285400645 /nfs/dbraw/zinc/40/06/45/1285400645.db2.gz KXBUKTSFIXBKTF-CQSZACIVSA-N -1 3 325.330 2.947 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000816691686 1288247315 /nfs/dbraw/zinc/24/73/15/1288247315.db2.gz WYPAYMCPCZDKMQ-QGZVFWFLSA-N -1 3 347.374 2.622 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(CC)s1 ZINC000796098344 1291964071 /nfs/dbraw/zinc/96/40/71/1291964071.db2.gz ZJVMCMDXPOZYBG-AWEZNQCLSA-N -1 3 334.466 2.618 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000796098045 1291964859 /nfs/dbraw/zinc/96/48/59/1291964859.db2.gz RDIKHYGTDVXAMB-OAHLLOKOSA-N -1 3 335.375 2.878 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000882422064 1293197424 /nfs/dbraw/zinc/19/74/24/1293197424.db2.gz JQVUYTAYGDCITR-HXUWFJFHSA-N -1 3 336.523 2.996 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](F)C(F)(F)F ZINC000800119697 1293922764 /nfs/dbraw/zinc/92/27/64/1293922764.db2.gz DBPITZKAGAUKAQ-NSHDSACASA-N -1 3 334.269 2.652 10 30 EFEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(C2CCCCC2)[nH]n1 ZINC000137225496 1294721160 /nfs/dbraw/zinc/72/11/60/1294721160.db2.gz PQSORXODZXKFKR-CYBMUJFWSA-N -1 3 337.383 2.814 10 30 EFEEHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000867384506 1296674997 /nfs/dbraw/zinc/67/49/97/1296674997.db2.gz BSDKGGXFHDXFOF-UHFFFAOYSA-N -1 3 344.849 2.563 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001489799234 1298337511 /nfs/dbraw/zinc/33/75/11/1298337511.db2.gz BGZRZAZZPCQNRT-OKILXGFUSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C(C)C)C(C)C)ccc1F ZINC000110293461 1299469435 /nfs/dbraw/zinc/46/94/35/1299469435.db2.gz GMVPVPNVARKBNS-UHFFFAOYSA-N -1 3 342.436 2.549 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004929 1300386127 /nfs/dbraw/zinc/38/61/27/1300386127.db2.gz LMCRROAJINZUBS-ZJUUUORDSA-N -1 3 331.342 2.758 10 30 EFEEHM COC(=O)[C@H](C[C@@H]1CCCOC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000864346052 1302893769 /nfs/dbraw/zinc/89/37/69/1302893769.db2.gz MVCWXWDAXWOBPF-NNAUJZSHSA-N -1 3 325.792 2.823 10 30 EFEEHM Cc1ncc(CO)c(C=NCc2ccc(C(C)(C)C)[nH]c2=O)c1[O-] ZINC000864347195 1302894706 /nfs/dbraw/zinc/89/47/06/1302894706.db2.gz MARMYGFQCPZTGG-DJKKODMXSA-N -1 3 329.400 2.605 10 30 EFEEHM CCOC(=O)[C@@]1(C/N=C/c2cc(Cl)ccc2[O-])CCCOC1 ZINC000864347735 1302895202 /nfs/dbraw/zinc/89/52/02/1302895202.db2.gz XBFLTHAJTHJYPC-TWIVVOHQSA-N -1 3 325.792 2.824 10 30 EFEEHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)c(OC)c(C)c1OC ZINC000794847594 1303292899 /nfs/dbraw/zinc/29/28/99/1303292899.db2.gz HOALNDKORBWAKM-UHFFFAOYSA-N -1 3 346.383 2.673 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1[O-] ZINC000794847679 1303296072 /nfs/dbraw/zinc/29/60/72/1303296072.db2.gz JTYFOBXNBJGCKG-XPLSHGQHSA-N -1 3 348.406 2.749 10 30 EFEEHM COCCOc1ncccc1CN[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866234715 1303574491 /nfs/dbraw/zinc/57/44/91/1303574491.db2.gz WZVQZOMJQSJMTC-ZDUSSCGKSA-N -1 3 327.384 2.535 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(=O)OC ZINC000867624594 1303882416 /nfs/dbraw/zinc/88/24/16/1303882416.db2.gz QARLJAOFAPPUNN-VFNNOXKTSA-N -1 3 343.832 2.738 10 30 EFEEHM Cc1cc(Oc2ccccc2)ccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000868562760 1304357239 /nfs/dbraw/zinc/35/72/39/1304357239.db2.gz LGORBXSYHQZEMX-QGZVFWFLSA-N -1 3 340.379 2.897 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1CCC(C)(C)CO1 ZINC000869335865 1304727482 /nfs/dbraw/zinc/72/74/82/1304727482.db2.gz RXFDVLLLUBWDJV-CQSZACIVSA-N -1 3 346.427 2.957 10 30 EFEEHM CC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC(C)(C)C ZINC000901090123 1309422208 /nfs/dbraw/zinc/42/22/08/1309422208.db2.gz PSFYDVMFSKAAFX-CYBMUJFWSA-N -1 3 338.354 2.887 10 30 EFEEHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cnn(CC2CCC2)c1 ZINC000901172366 1309689123 /nfs/dbraw/zinc/68/91/23/1309689123.db2.gz GWRUBCOVCYEFMB-UHFFFAOYSA-N -1 3 346.456 2.527 10 30 EFEEHM COc1cc(C(=O)/C=C\c2c3c(nn2C)CCSC3)ccc1[O-] ZINC000901431674 1310468701 /nfs/dbraw/zinc/46/87/01/1310468701.db2.gz XHJVPRHWFLQHLG-XQRVVYSFSA-N -1 3 330.409 2.820 10 30 EFEEHM Cc1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1Cl ZINC000901776195 1311028672 /nfs/dbraw/zinc/02/86/72/1311028672.db2.gz XYWSTRXKYGBQPS-SNVBAGLBSA-N -1 3 326.727 2.771 10 30 EFEEHM C=CCC1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCOCC1 ZINC001158793002 1311388442 /nfs/dbraw/zinc/38/84/42/1311388442.db2.gz WWBAHYIZHGZNLF-SHTZXODSSA-N -1 3 345.443 2.698 10 30 EFEEHM CCCC(C)(C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161801992 1311975550 /nfs/dbraw/zinc/97/55/50/1311975550.db2.gz GEDIKVALUQXQCI-UHFFFAOYSA-N -1 3 332.400 2.717 10 30 EFEEHM CC(C)CC(C)(C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001161802273 1311976095 /nfs/dbraw/zinc/97/60/95/1311976095.db2.gz PGCBCQSESSWLBA-UHFFFAOYSA-N -1 3 346.427 2.963 10 30 EFEEHM COc1coc(C(=O)N([O-])Cc2cccc3ccccc32)cc1=O ZINC001161842895 1311985283 /nfs/dbraw/zinc/98/52/83/1311985283.db2.gz SLIKFYLWARDMSR-UHFFFAOYSA-N -1 3 325.320 2.833 10 30 EFEEHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001263285656 1316526814 /nfs/dbraw/zinc/52/68/14/1316526814.db2.gz KXIOWAIKIOVDOO-OLZOCXBDSA-N -1 3 342.447 2.950 10 30 EFEEHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@@H](C)CC[C@@H]1C ZINC001263285658 1316526875 /nfs/dbraw/zinc/52/68/75/1316526875.db2.gz KXIOWAIKIOVDOO-STQMWFEESA-N -1 3 342.447 2.950 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001280076043 1317448047 /nfs/dbraw/zinc/44/80/47/1317448047.db2.gz FDXHAJNOJNFNJG-UHFFFAOYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001280190652 1317473005 /nfs/dbraw/zinc/47/30/05/1317473005.db2.gz SLDUVUIOYAXYDJ-KGLIPLIRSA-N -1 3 330.428 2.762 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001280954698 1317921214 /nfs/dbraw/zinc/92/12/14/1317921214.db2.gz SCCDCNSNUNPEDH-RHSMWYFYSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001281407148 1318272244 /nfs/dbraw/zinc/27/22/44/1318272244.db2.gz RCXCHGBQCZFRPB-LSDHHAIUSA-N -1 3 330.428 2.858 10 30 EFEEHM CC#CCCCC(=O)N(CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001281477697 1318347161 /nfs/dbraw/zinc/34/71/61/1318347161.db2.gz GMDDTIIGUZBAPI-OAHLLOKOSA-N -1 3 330.428 2.553 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001281801634 1318589211 /nfs/dbraw/zinc/58/92/11/1318589211.db2.gz PNHYOOVLJQCBGI-MUKKUYKPSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CCCCC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2[O-])C1 ZINC001282800640 1319129198 /nfs/dbraw/zinc/12/91/98/1319129198.db2.gz FFQRQHPWPGJAKM-YWZLYKJASA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCC1(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001283456537 1319718560 /nfs/dbraw/zinc/71/85/60/1319718560.db2.gz JCZYFTMTPRKMJR-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCC1(C(=O)NC[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001284348266 1320330766 /nfs/dbraw/zinc/33/07/66/1320330766.db2.gz LBBCEUGTHKINQD-OAHLLOKOSA-N -1 3 342.439 2.717 10 30 EFEEHM C#CCC1(C(=O)NCCN(C)C(=O)c2ccccc2[O-])CCCCC1 ZINC001284541680 1320411586 /nfs/dbraw/zinc/41/15/86/1320411586.db2.gz UCZGQAPFMRJLGN-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284689078 1320476390 /nfs/dbraw/zinc/47/63/90/1320476390.db2.gz BUVFBXJKKBMJLX-GJZGRUSLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001285827673 1321098098 /nfs/dbraw/zinc/09/80/98/1321098098.db2.gz XUYIXTFJGXOUHW-GDBMZVCRSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCCC(=O)N[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286104701 1321239285 /nfs/dbraw/zinc/23/92/85/1321239285.db2.gz SFAXXPFRPKYCOI-HXUWFJFHSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286112016 1321242742 /nfs/dbraw/zinc/24/27/42/1321242742.db2.gz GNXHUUBPQFJEOP-UXHICEINSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286113152 1321243933 /nfs/dbraw/zinc/24/39/33/1321243933.db2.gz OWQLNLYHDDMRCG-HXUWFJFHSA-N -1 3 344.455 2.963 10 30 EFEEHM CCCCCCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)CC[C@H]1C ZINC001288469194 1321681099 /nfs/dbraw/zinc/68/10/99/1321681099.db2.gz GVPUOXUJKCHJKG-HUUCEWRRSA-N -1 3 349.479 2.665 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001289933630 1321838612 /nfs/dbraw/zinc/83/86/12/1321838612.db2.gz LMKZEJHSHXLMOY-LSDHHAIUSA-N -1 3 330.428 2.667 10 30 EFEEHM CC(C)C#CC(=O)N1CCCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001290564650 1321929066 /nfs/dbraw/zinc/92/90/66/1321929066.db2.gz LSQAHRXGPFJJJZ-INIZCTEOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001290579112 1321933064 /nfs/dbraw/zinc/93/30/64/1321933064.db2.gz VPTRVUBLSMXHEO-PBHICJAKSA-N -1 3 342.439 2.880 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1cn2ccsc2n1 ZINC001292119994 1322039592 /nfs/dbraw/zinc/03/95/92/1322039592.db2.gz XLLFDXQIQCHMDM-UHFFFAOYSA-N -1 3 332.335 2.676 10 30 EFEEHM C=CC[C@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])c1ccncc1 ZINC001293576916 1322289551 /nfs/dbraw/zinc/28/95/51/1322289551.db2.gz JNVVRURDMHUOIA-INIZCTEOSA-N -1 3 337.379 2.959 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(CC)CCCNC(=O)c1ccccc1[O-] ZINC001294397842 1322473145 /nfs/dbraw/zinc/47/31/45/1322473145.db2.gz SBJSTSLOHPEJCW-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])CCC1 ZINC001297277178 1323147317 /nfs/dbraw/zinc/14/73/17/1323147317.db2.gz JSGXEASEGCYQRL-GJZGRUSLSA-N -1 3 340.423 2.564 10 30 EFEEHM C=C(C)C[C@H](NCc1cccc([O-])c1Br)C(=O)OC ZINC001336759842 1324557548 /nfs/dbraw/zinc/55/75/48/1324557548.db2.gz ZKYONPRTUXPRRQ-NSHDSACASA-N -1 3 328.206 2.752 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C ZINC001306896708 1324729381 /nfs/dbraw/zinc/72/93/81/1324729381.db2.gz JPSDHHLXIXUTNJ-ZIAGYGMSSA-N -1 3 344.452 2.714 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CCO[C@@H]1CNC(=O)OC(C)(C)C ZINC001306896707 1324729437 /nfs/dbraw/zinc/72/94/37/1324729437.db2.gz JPSDHHLXIXUTNJ-UONOGXRCSA-N -1 3 344.452 2.714 10 30 EFEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001309450355 1324870516 /nfs/dbraw/zinc/87/05/16/1324870516.db2.gz QQXOMVXXKAKXMA-QMMMGPOBSA-N -1 3 331.850 2.978 10 30 EFEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001309515318 1324872662 /nfs/dbraw/zinc/87/26/62/1324872662.db2.gz GNMRKXUWALKYTK-NSHDSACASA-N -1 3 336.276 2.899 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OCC ZINC001309807643 1324887720 /nfs/dbraw/zinc/88/77/20/1324887720.db2.gz USJNGQPZNDXORA-CQSZACIVSA-N -1 3 345.848 2.657 10 30 EFEEHM O=C(CC#Cc1ccccc1)OCc1noc(-c2ccccc2[O-])n1 ZINC001321312549 1329371204 /nfs/dbraw/zinc/37/12/04/1329371204.db2.gz WDANWLPGIIHQSW-UHFFFAOYSA-N -1 3 334.331 2.927 10 30 EFEEHM C=C(C)[C@@H](CC(=O)OCc1nnc(-c2ccccc2[O-])o1)OCC ZINC001331113542 1330795941 /nfs/dbraw/zinc/79/59/41/1330795941.db2.gz DJGXDWGOJLVUQD-CQSZACIVSA-N -1 3 332.356 2.857 10 30 EFEEHM C[C@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)N1CC#N ZINC001331583791 1330856675 /nfs/dbraw/zinc/85/66/75/1330856675.db2.gz NPQKLIJNVFLDSV-RYUDHWBXSA-N -1 3 338.249 2.573 10 30 EFEEHM C=C1CCC(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001333830066 1331222009 /nfs/dbraw/zinc/22/20/09/1331222009.db2.gz XFUCGXBDOIVIBB-ZIAGYGMSSA-N -1 3 330.428 2.762 10 30 EFEEHM C#CCCCC(=O)NC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001333963142 1331235917 /nfs/dbraw/zinc/23/59/17/1331235917.db2.gz POAZWDAALNMMDJ-UHFFFAOYSA-N -1 3 342.439 2.695 10 30 EFEEHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C1CCOCC1 ZINC001334783108 1331306231 /nfs/dbraw/zinc/30/62/31/1331306231.db2.gz RMOBNUDEHIAYFF-AWEZNQCLSA-N -1 3 327.758 2.976 10 30 EFEEHM C=C(C)Cc1cccc(-c2nnc(N(C[C@@H](C)O)C3CC3)n2C)c1[O-] ZINC001338523519 1331713327 /nfs/dbraw/zinc/71/33/27/1331713327.db2.gz PLZLQTBCDZGUBU-CYBMUJFWSA-N -1 3 342.443 2.656 10 30 EFEEHM C=C(C)Cc1cccc(-c2nnc(N(C[C@H](C)O)C3CC3)n2C)c1[O-] ZINC001338523520 1331713346 /nfs/dbraw/zinc/71/33/46/1331713346.db2.gz PLZLQTBCDZGUBU-ZDUSSCGKSA-N -1 3 342.443 2.656 10 30 EFEEHM C#CCCCCC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001338700788 1331727015 /nfs/dbraw/zinc/72/70/15/1331727015.db2.gz XFUOBFHKUUDRKO-UHFFFAOYSA-N -1 3 344.455 2.895 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC(F)(F)CC1 ZINC001339091106 1331788603 /nfs/dbraw/zinc/78/86/03/1331788603.db2.gz LTEHHKZVPLRKRQ-UHFFFAOYSA-N -1 3 343.769 2.528 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC(F)(F)CC1 ZINC001339091106 1331788604 /nfs/dbraw/zinc/78/86/04/1331788604.db2.gz LTEHHKZVPLRKRQ-UHFFFAOYSA-N -1 3 343.769 2.528 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(CC1CC1)C1CCC1 ZINC001339210772 1331817536 /nfs/dbraw/zinc/81/75/36/1331817536.db2.gz KZSZVXRNIURCLS-UHFFFAOYSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(CC1CC1)C1CCC1 ZINC001339210772 1331817538 /nfs/dbraw/zinc/81/75/38/1331817538.db2.gz KZSZVXRNIURCLS-UHFFFAOYSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001340381069 1332184734 /nfs/dbraw/zinc/18/47/34/1332184734.db2.gz ZTNJXBZLOAKXCW-KUHUBIRLSA-N -1 3 349.394 2.603 10 30 EFEEHM C=CCCCN(CC)c1nnc(-c2cnc[n-]c2=O)n1CC(=C)C ZINC001342129907 1332307516 /nfs/dbraw/zinc/30/75/16/1332307516.db2.gz PNPDVALXUDQTKJ-UHFFFAOYSA-N -1 3 328.420 2.809 10 30 EFEEHM Cn1cnc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC001345207685 1332522075 /nfs/dbraw/zinc/52/20/75/1332522075.db2.gz NIBHYHHUTCSSIP-AFNCTOJWSA-N -1 3 339.420 2.965 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001345994698 1332590421 /nfs/dbraw/zinc/59/04/21/1332590421.db2.gz UOSFOEDONIAREC-WDEREUQCSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C)[C@H]1CC ZINC001345994698 1332590423 /nfs/dbraw/zinc/59/04/23/1332590423.db2.gz UOSFOEDONIAREC-WDEREUQCSA-N -1 3 335.843 2.918 10 30 EFEEHM C#CCCCCCC(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001350906062 1333150089 /nfs/dbraw/zinc/15/00/89/1333150089.db2.gz KPKRHHBGWUEGJO-UHFFFAOYSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCCCCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000847412899 1333676729 /nfs/dbraw/zinc/67/67/29/1333676729.db2.gz DCFJTNNTEBMVKW-CYBMUJFWSA-N -1 3 349.397 2.833 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC001353006159 1333862397 /nfs/dbraw/zinc/86/23/97/1333862397.db2.gz FLBDKZQLYHTDHJ-QGZVFWFLSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001353203016 1334009654 /nfs/dbraw/zinc/00/96/54/1334009654.db2.gz GKURLVVARXDQHX-BEFAXECRSA-N -1 3 330.428 2.619 10 30 EFEEHM CCC(CC)(COCc1ccccc1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131066 1334342008 /nfs/dbraw/zinc/34/20/08/1334342008.db2.gz XTFQICXKFMVXIW-MRXNPFEDSA-N -1 3 348.443 2.506 10 30 EFEEHM CC(C)(c1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1)C(F)(F)F ZINC000848133579 1334346375 /nfs/dbraw/zinc/34/63/75/1334346375.db2.gz BPWQOVDQMXADJN-GFCCVEGCSA-N -1 3 344.333 2.637 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001356398425 1335030471 /nfs/dbraw/zinc/03/04/71/1335030471.db2.gz FLDYGDDWTHHQKE-AUUYWEPGSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001356717197 1335120724 /nfs/dbraw/zinc/12/07/24/1335120724.db2.gz OLVZXLZQFHZGPJ-CVEARBPZSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358811636 1335488771 /nfs/dbraw/zinc/48/87/71/1335488771.db2.gz JNIQBPLVGTXORN-LJQANCHMSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358812099 1335489166 /nfs/dbraw/zinc/48/91/66/1335489166.db2.gz RBWIFUAWCHLVSL-QRWLVFNGSA-N -1 3 344.455 2.963 10 30 EFEEHM Cc1ccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C#N ZINC001361949827 1336433498 /nfs/dbraw/zinc/43/34/98/1336433498.db2.gz WOEYDSOPTFUQJC-UHFFFAOYSA-N -1 3 348.406 2.705 10 30 EFEEHM C=CCNC(=O)c1ccccc1NC(=O)c1cccc(OC)c1[O-] ZINC001440867174 1389966897 /nfs/dbraw/zinc/96/68/97/1389966897.db2.gz OCBGLKIZTVXZQC-UHFFFAOYSA-N -1 3 326.352 2.569 10 30 EFEEHM C[C@H](CNC(=O)c1ccccc1[O-])N(C)Cc1cc(F)ccc1C#N ZINC001440906350 1389993389 /nfs/dbraw/zinc/99/33/89/1389993389.db2.gz QSVMUYRHROBLFN-CYBMUJFWSA-N -1 3 341.386 2.653 10 30 EFEEHM C=C[C@@H](C(=O)Nc1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC001440969469 1390060250 /nfs/dbraw/zinc/06/02/50/1390060250.db2.gz RMQCZPALNNQEJX-CQSZACIVSA-N -1 3 330.409 2.966 10 30 EFEEHM O=C(c1ccc(Cn2ccnn2)o1)N([O-])Cc1ccccc1Cl ZINC001457992802 1395393728 /nfs/dbraw/zinc/39/37/28/1395393728.db2.gz LFDRYOLHIVSXIU-UHFFFAOYSA-N -1 3 332.747 2.604 10 30 EFEEHM Cc1csc(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)c1 ZINC001458004779 1395396083 /nfs/dbraw/zinc/39/60/83/1395396083.db2.gz YVCMSTDTVAEIJZ-UHFFFAOYSA-N -1 3 344.392 2.574 10 30 EFEEHM Cc1ccc2ncc(C(=O)N([O-])Cc3ccccc3Cl)c(=O)n2c1 ZINC001458004204 1395396584 /nfs/dbraw/zinc/39/65/84/1395396584.db2.gz RBGQQAYDEKVBES-UHFFFAOYSA-N -1 3 343.770 2.688 10 30 EFEEHM C[C@H](Nc1cc(F)c(C#N)cc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001458637762 1395532987 /nfs/dbraw/zinc/53/29/87/1395532987.db2.gz JSYBMMZKIXDHTA-YFKPBYRVSA-N -1 3 344.228 2.916 10 30 EFEEHM C[C@@H](Nc1c(F)c(F)nc(F)c1F)c1nc(C(F)(F)F)n[n-]1 ZINC001458643013 1395535712 /nfs/dbraw/zinc/53/57/12/1395535712.db2.gz SRAVYBZKLNEBGR-UWTATZPHSA-N -1 3 329.179 2.948 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001458868404 1395627823 /nfs/dbraw/zinc/62/78/23/1395627823.db2.gz MSVMFAIMTPNNKV-UHFFFAOYSA-N -1 3 336.819 2.550 10 30 EFEEHM Cc1nsc([N-]C(=O)c2cnn(-c3ccc(Cl)cc3)n2)c1C#N ZINC001459425644 1395855081 /nfs/dbraw/zinc/85/50/81/1395855081.db2.gz PYWMXBYAOPHBJW-UHFFFAOYSA-N -1 3 344.787 2.810 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001464140808 1396550148 /nfs/dbraw/zinc/55/01/48/1396550148.db2.gz CEKKYSIJWYLSAY-UHFFFAOYSA-N -1 3 333.251 2.725 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(CSc2ccccc2)cc1 ZINC001468376525 1396951242 /nfs/dbraw/zinc/95/12/42/1396951242.db2.gz ZATLGHMMNKNTGM-INIZCTEOSA-N -1 3 342.420 2.699 10 30 EFEEHM C=CCCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001475225580 1397410970 /nfs/dbraw/zinc/41/09/70/1397410970.db2.gz DDNOPTPMPKMMQJ-UHFFFAOYSA-N -1 3 331.850 2.979 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C2CC2)CCC1 ZINC001493683444 1398805233 /nfs/dbraw/zinc/80/52/33/1398805233.db2.gz DXRLAIRUZKEKKV-MRXNPFEDSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@H](NC(=O)c3ccccc3[O-])C2)CCCC1 ZINC001493897696 1398962884 /nfs/dbraw/zinc/96/28/84/1398962884.db2.gz IZLCBEVNEXNSEL-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCCN1Cc2ccc(CNC(=O)c3ncccc3[O-])cc2C1 ZINC001502648851 1404282378 /nfs/dbraw/zinc/28/23/78/1404282378.db2.gz UXHJBIHJLMLUMX-UHFFFAOYSA-N -1 3 337.423 2.999 10 30 EFEEHM C=C1CCC(C(=O)NC[C@H](C)N(C)C(=O)c2ccccc2[O-])CC1 ZINC001726014942 1426031222 /nfs/dbraw/zinc/03/12/22/1426031222.db2.gz OZGNRARYICDQDD-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001508758316 1407650225 /nfs/dbraw/zinc/65/02/25/1407650225.db2.gz OLXSNDNPUQBBLP-LLVKDONJSA-N -1 3 338.835 2.748 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509380120 1407951342 /nfs/dbraw/zinc/95/13/42/1407951342.db2.gz HDGMJXOXHJMBGN-UONOGXRCSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001509546124 1408026174 /nfs/dbraw/zinc/02/61/74/1408026174.db2.gz GEXYUNUCVWBACE-WMLDXEAASA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCC1(C(=O)NC2CC(N(C)C(=O)c3ccccc3[O-])C2)CC1 ZINC001511914543 1413195884 /nfs/dbraw/zinc/19/58/84/1413195884.db2.gz XFSYXIHEWYYQAE-UHFFFAOYSA-N -1 3 342.439 2.858 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001512776467 1413572161 /nfs/dbraw/zinc/57/21/61/1413572161.db2.gz QCXRXIAPLJLBLB-HLLBOEOZSA-N -1 3 342.439 2.667 10 30 EFEEHM Cc1ccc(-c2n[nH]c(NC(=O)c3[n-]c(=O)c(C#N)cc3C)c2C)o1 ZINC001556919476 1415094644 /nfs/dbraw/zinc/09/46/44/1415094644.db2.gz CBJIJFLGSAMMHJ-UHFFFAOYSA-N -1 3 337.339 2.820 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001556976746 1415099185 /nfs/dbraw/zinc/09/91/85/1415099185.db2.gz KXSGAOQXKJKTHM-CQSZACIVSA-N -1 3 348.382 2.916 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001556976746 1415099189 /nfs/dbraw/zinc/09/91/89/1415099189.db2.gz KXSGAOQXKJKTHM-CQSZACIVSA-N -1 3 348.382 2.916 10 30 EFEEHM C[Si](C)(C)C#CCCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001557435720 1415125870 /nfs/dbraw/zinc/12/58/70/1415125870.db2.gz SNRCUZBHYJUDFY-UHFFFAOYSA-N -1 3 348.425 2.807 10 30 EFEEHM CCOC(=O)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001559037127 1415219488 /nfs/dbraw/zinc/21/94/88/1415219488.db2.gz KCMDHAGEBFMERY-MRXNPFEDSA-N -1 3 331.343 2.890 10 30 EFEEHM C=CCCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001688284049 1416940359 /nfs/dbraw/zinc/94/03/59/1416940359.db2.gz DGCAHKDMJFPDJN-HNNXBMFYSA-N -1 3 330.428 2.859 10 30 EFEEHM C=C1CC(C)(C(=O)N(CCC)CCNC(=O)c2ccccc2[O-])C1 ZINC001688458667 1416968920 /nfs/dbraw/zinc/96/89/20/1416968920.db2.gz BSPIHWSJLWJINV-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C(C)CN[C@H](CNC(=O)c1ncccc1[O-])c1ccccc1CC ZINC001699930902 1417511873 /nfs/dbraw/zinc/51/18/73/1417511873.db2.gz AMLUUPRWRISSDI-QGZVFWFLSA-N -1 3 339.439 2.986 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704472068 1417954183 /nfs/dbraw/zinc/95/41/83/1417954183.db2.gz PDTURIVMLHDIDD-CQSZACIVSA-N -1 3 330.428 2.525 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001704475209 1417956275 /nfs/dbraw/zinc/95/62/75/1417956275.db2.gz IUGNVSLZKDRTFY-HNNXBMFYSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCCN1Cc2ccc(CNC(=O)c3[nH]nc(C)c3[O-])cc2C1 ZINC001717269964 1419299001 /nfs/dbraw/zinc/29/90/01/1419299001.db2.gz GLGYFDCCENUMRH-UHFFFAOYSA-N -1 3 340.427 2.636 10 30 EFEEHM C=CCC(C)(C)C(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001718067901 1419688627 /nfs/dbraw/zinc/68/86/27/1419688627.db2.gz RAEXCQOZZOCQQH-UHFFFAOYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001718127556 1422099209 /nfs/dbraw/zinc/09/92/09/1422099209.db2.gz BWDZPFNDFBIBOY-UHFFFAOYSA-N -1 3 332.444 2.819 10 30 EFEEHM C=C(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001719035413 1422647454 /nfs/dbraw/zinc/64/74/54/1422647454.db2.gz FEUFPLBUOLLHPR-CVEARBPZSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC001719036617 1422647895 /nfs/dbraw/zinc/64/78/95/1422647895.db2.gz IXEXHVZAGOLBSN-CABCVRRESA-N -1 3 330.428 2.573 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@H]2CCCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001720853509 1423249946 /nfs/dbraw/zinc/24/99/46/1423249946.db2.gz YFVNOYAVCOIIJA-OAHLLOKOSA-N -1 3 342.439 2.717 10 30 EFEEHM C=CCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001725894106 1425946728 /nfs/dbraw/zinc/94/67/28/1425946728.db2.gz UMRHFNOUYRUJGP-UONOGXRCSA-N -1 3 330.428 2.762 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)[C@@H]1CCCCO1 ZINC000893498455 716104918 /nfs/dbraw/zinc/10/49/18/716104918.db2.gz MSPIGMUMHKGXFC-SJCJKPOMSA-N -1 3 346.427 2.957 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)[C@@H]1CCCCO1 ZINC000893498453 716105011 /nfs/dbraw/zinc/10/50/11/716105011.db2.gz MSPIGMUMHKGXFC-PXAZEXFGSA-N -1 3 346.427 2.957 10 30 EFEEHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccoc1 ZINC000727254103 723874602 /nfs/dbraw/zinc/87/46/02/723874602.db2.gz OURDUNGZJBZEFH-CYBMUJFWSA-N -1 3 328.353 2.555 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCCc2sc(Br)cc21 ZINC000814907599 725673696 /nfs/dbraw/zinc/67/36/96/725673696.db2.gz QDEKBEJTJYOSMF-UHFFFAOYSA-N -1 3 325.235 2.819 10 30 EFEEHM C/C=C\C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000907400332 726928502 /nfs/dbraw/zinc/92/85/02/726928502.db2.gz MJRYGXBDCULQAY-PKXJPQMGSA-N -1 3 336.338 2.664 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000908462868 727190637 /nfs/dbraw/zinc/19/06/37/727190637.db2.gz ZJUITKSETWDEKS-UHFFFAOYSA-N -1 3 349.206 2.600 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000927561042 727518174 /nfs/dbraw/zinc/51/81/74/727518174.db2.gz BXSWFAFQGZEHGH-JQWIXIFHSA-N -1 3 348.271 2.876 10 30 EFEEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)Cc2c(C)cc(C#N)cc2C)n1 ZINC000911808777 727602580 /nfs/dbraw/zinc/60/25/80/727602580.db2.gz IHJULWHFROMIGQ-UHFFFAOYSA-N -1 3 338.411 2.573 10 30 EFEEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CC[C@](C)(C#N)C2)s1 ZINC000912707607 727736549 /nfs/dbraw/zinc/73/65/49/727736549.db2.gz YFAXJLYOEGUWBM-OAHLLOKOSA-N -1 3 336.417 2.866 10 30 EFEEHM CC(C)(C)OC(=O)C(C)(C)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000913173441 727792656 /nfs/dbraw/zinc/79/26/56/727792656.db2.gz CTUPQVXMKSENMW-UHFFFAOYSA-N -1 3 338.354 2.887 10 30 EFEEHM COc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1F ZINC000917442396 727808533 /nfs/dbraw/zinc/80/85/33/727808533.db2.gz RYPMIKGWUAEPRU-UHFFFAOYSA-N -1 3 344.383 2.726 10 30 EFEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000173165846 728617706 /nfs/dbraw/zinc/61/77/06/728617706.db2.gz VJLOXZILSFGGJY-MRVPVSSYSA-N -1 3 349.206 2.600 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001572385905 1087448125 /nfs/dbraw/zinc/44/81/25/1087448125.db2.gz ITBHATWITCSSGO-LSDHHAIUSA-N -1 3 342.439 2.858 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572621167 1087568027 /nfs/dbraw/zinc/56/80/27/1087568027.db2.gz FJKJHHPTDLDCIE-LSDHHAIUSA-N -1 3 330.428 2.573 10 30 EFEEHM CC(C)(C)C#CC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001582573703 1091554667 /nfs/dbraw/zinc/55/46/67/1091554667.db2.gz CAZFEKFSLRWKJU-UHFFFAOYSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001585706180 1092552515 /nfs/dbraw/zinc/55/25/15/1092552515.db2.gz OCYJHONLXLROPL-INIZCTEOSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001585796201 1092576773 /nfs/dbraw/zinc/57/67/73/1092576773.db2.gz MNWMUMGRQJWWKY-KUHUBIRLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001585994881 1092646858 /nfs/dbraw/zinc/64/68/58/1092646858.db2.gz CBFICJZVPAJHMS-HXUWFJFHSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)C(=O)N1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001586141784 1092690263 /nfs/dbraw/zinc/69/02/63/1092690263.db2.gz OANURUXKECRNAQ-FQEVSTJZSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001588299675 1092914699 /nfs/dbraw/zinc/91/46/99/1092914699.db2.gz NVZNASFWHFOYQK-AWEZNQCLSA-N -1 3 345.490 2.761 10 30 EFEEHM NC(=O)c1cnc(C(=O)N([O-])Cc2ccccc2Cl)c(Cl)c1 ZINC001651223778 1093541042 /nfs/dbraw/zinc/54/10/42/1093541042.db2.gz UUALJBLIRGINEJ-UHFFFAOYSA-N -1 3 340.166 2.519 10 30 EFEEHM Cn1ccc(=O)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC001651214975 1093541334 /nfs/dbraw/zinc/54/13/34/1093541334.db2.gz KOZXUBXMFLANTD-UHFFFAOYSA-N -1 3 327.167 2.724 10 30 EFEEHM CC(=O)N1c2ccccc2C[C@H]1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001651237922 1093544139 /nfs/dbraw/zinc/54/41/39/1093544139.db2.gz GGMPHMZKSHABEH-KRWDZBQOSA-N -1 3 328.343 2.521 10 30 EFEEHM C=CCN[C@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccc(C(C)C)cc1 ZINC001267346586 1093634213 /nfs/dbraw/zinc/63/42/13/1093634213.db2.gz TYCMBKYZVBWWEN-MRXNPFEDSA-N -1 3 342.443 2.794 10 30 EFEEHM N#Cc1ccc(CSCC(=O)NCc2c([O-])cccc2F)cc1 ZINC001596913047 1094553511 /nfs/dbraw/zinc/55/35/11/1094553511.db2.gz UIWMMWLKVWFMDH-UHFFFAOYSA-N -1 3 330.384 2.953 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)nn1 ZINC001125779664 1094578907 /nfs/dbraw/zinc/57/89/07/1094578907.db2.gz DDJIRDUILMSSEV-UHFFFAOYSA-N -1 3 346.803 2.888 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001268240497 1096162050 /nfs/dbraw/zinc/16/20/50/1096162050.db2.gz YQDMSKJNQZQNSO-UHFFFAOYSA-N -1 3 346.475 2.552 10 30 EFEEHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC001611662735 1099028162 /nfs/dbraw/zinc/02/81/62/1099028162.db2.gz UHHIJNHXHYJTBT-AWEZNQCLSA-N -1 3 328.387 2.990 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ncc(C#N)cc3C)nc21 ZINC001618773050 1099315554 /nfs/dbraw/zinc/31/55/54/1099315554.db2.gz KHLLGGCZMUNHSV-UHFFFAOYSA-N -1 3 349.350 2.567 10 30 EFEEHM Cc1cc(C(F)(F)C(=O)[N-]Cc2ccnc(C#N)c2)cnc1Cl ZINC001618800759 1099319817 /nfs/dbraw/zinc/31/98/17/1099319817.db2.gz RJABTWWFDPFRFG-UHFFFAOYSA-N -1 3 336.729 2.718 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001622434312 1099511684 /nfs/dbraw/zinc/51/16/84/1099511684.db2.gz TYMYNOXHWMEPIY-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(CC)cc1)C(=O)OCC ZINC001622506672 1099519687 /nfs/dbraw/zinc/51/96/87/1099519687.db2.gz VHCWJNCZNDBVOL-MRXNPFEDSA-N -1 3 339.457 2.566 10 30 EFEEHM N#CCc1cccc2c1CCN(C(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC001623726043 1099619229 /nfs/dbraw/zinc/61/92/29/1099619229.db2.gz RRGLVNPBPZMSKB-UHFFFAOYSA-N -1 3 343.386 2.793 10 30 EFEEHM CC(C)Oc1ccc(C#N)cc1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001626769463 1099915709 /nfs/dbraw/zinc/91/57/09/1099915709.db2.gz RQTPSVWDIWUEMP-UHFFFAOYSA-N -1 3 342.311 2.607 10 30 EFEEHM C=CCSc1ccccc1C(=O)NCc1cc(=O)[n-]c(=S)[nH]1 ZINC001628259488 1100083086 /nfs/dbraw/zinc/08/30/86/1100083086.db2.gz ZCGLBLOTPCHDHH-UHFFFAOYSA-N -1 3 333.438 2.679 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC001629249914 1100188213 /nfs/dbraw/zinc/18/82/13/1100188213.db2.gz XNUGFJMYZONMCZ-HNNXBMFYSA-N -1 3 339.326 2.650 10 30 EFEEHM CC(C)(NC(=O)c1nnc2ccccc2c1[O-])c1cccc(C#N)c1 ZINC001632735918 1100497482 /nfs/dbraw/zinc/49/74/82/1100497482.db2.gz GBTDYGOPGOMXGK-UHFFFAOYSA-N -1 3 332.363 2.872 10 30 EFEEHM C=CCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OCC ZINC001635698732 1100675244 /nfs/dbraw/zinc/67/52/44/1100675244.db2.gz NYHQLXUWTSBVME-HNNXBMFYSA-N -1 3 337.391 2.868 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001636352764 1100715278 /nfs/dbraw/zinc/71/52/78/1100715278.db2.gz LQCUNTCYVRWGAK-HOTGVXAUSA-N -1 3 344.798 2.578 10 30 EFEEHM COc1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)nn1 ZINC001639035360 1100905713 /nfs/dbraw/zinc/90/57/13/1100905713.db2.gz IWWLYWNDCIHZSB-UHFFFAOYSA-N -1 3 328.155 2.824 10 30 EFEEHM O=C(Cc1ccccc1)NCC(=O)N([O-])CCCCc1ccccc1 ZINC001639058692 1100908547 /nfs/dbraw/zinc/90/85/47/1100908547.db2.gz QWLWQIQYAKZYDH-UHFFFAOYSA-N -1 3 340.423 2.586 10 30 EFEEHM CCOC(=O)N1CCC[C@H](C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001639054595 1100909032 /nfs/dbraw/zinc/90/90/32/1100909032.db2.gz SCMUUYPYBABNAY-ZDUSSCGKSA-N -1 3 340.807 2.926 10 30 EFEEHM CCCCCCN([O-])C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001639062609 1100909517 /nfs/dbraw/zinc/90/95/17/1100909517.db2.gz WDBGBTDBONCHIJ-UHFFFAOYSA-N -1 3 333.348 2.587 10 30 EFEEHM C=CCOCCCC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001640048880 1101009315 /nfs/dbraw/zinc/00/93/15/1101009315.db2.gz QWMCFKXQSUZPCR-UHFFFAOYSA-N -1 3 343.383 2.688 10 30 EFEEHM C=CCOCCCC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001640048880 1101009318 /nfs/dbraw/zinc/00/93/18/1101009318.db2.gz QWMCFKXQSUZPCR-UHFFFAOYSA-N -1 3 343.383 2.688 10 30 EFEEHM C#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1F ZINC001640467798 1101050377 /nfs/dbraw/zinc/05/03/77/1101050377.db2.gz UHRIMULFNTVISN-CYBMUJFWSA-N -1 3 345.761 2.956 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OCC ZINC001671199852 1101154527 /nfs/dbraw/zinc/15/45/27/1101154527.db2.gz WAICCFSYHSMWCU-AWEZNQCLSA-N -1 3 331.478 2.774 10 30 EFEEHM CCCCN([O-])C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001641871498 1101171542 /nfs/dbraw/zinc/17/15/42/1101171542.db2.gz UUWOMEHMYUQQQQ-QGZVFWFLSA-N -1 3 338.379 2.755 10 30 EFEEHM CCCCCCN([O-])C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC001641864957 1101172101 /nfs/dbraw/zinc/17/21/01/1101172101.db2.gz LWPUTVYHPZNFDC-UHFFFAOYSA-N -1 3 326.349 2.780 10 30 EFEEHM O=C(c1cncc(-n2ccnn2)c1)N([O-])Cc1cccc2ccccc21 ZINC001641878044 1101172961 /nfs/dbraw/zinc/17/29/61/1101172961.db2.gz QYYHFEYVNXKFMY-UHFFFAOYSA-N -1 3 345.362 2.847 10 30 EFEEHM COC(=O)c1cc(NC(=O)[C@]2(C#N)CC23CCCC3)c([O-])c(OC)c1 ZINC001653219983 1101599066 /nfs/dbraw/zinc/59/90/66/1101599066.db2.gz FZEPMZYQKDKHEH-GOSISDBHSA-N -1 3 344.367 2.600 10 30 EFEEHM O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N([O-])Cc1ccccc1Cl ZINC001654814288 1101758337 /nfs/dbraw/zinc/75/83/37/1101758337.db2.gz QNFUXRLIKYKBAH-CYBMUJFWSA-N -1 3 336.819 2.849 10 30 EFEEHM O=C(c1cncc(N2CCCC2)n1)N([O-])CCCCc1ccccc1 ZINC001654817803 1101759560 /nfs/dbraw/zinc/75/95/60/1101759560.db2.gz TYOLCXMDCKXVJD-UHFFFAOYSA-N -1 3 340.427 2.931 10 30 EFEEHM CC[C@H](CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC001654811546 1101759688 /nfs/dbraw/zinc/75/96/88/1101759688.db2.gz HXVHQJWNOSETQF-CQSZACIVSA-N -1 3 346.427 2.963 10 30 EFEEHM O=C([C@@H]1CCCN(c2ccccc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC001654828674 1101761513 /nfs/dbraw/zinc/76/15/13/1101761513.db2.gz BRVMHWMALRMIEM-QGZVFWFLSA-N -1 3 342.370 2.987 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)CCCC1 ZINC001656027164 1101928124 /nfs/dbraw/zinc/92/81/24/1101928124.db2.gz XVQBAAVQJCDNTI-UHFFFAOYSA-N -1 3 341.404 2.780 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC001656773717 1102197484 /nfs/dbraw/zinc/19/74/84/1102197484.db2.gz WDKRYDURXIOETA-UHFFFAOYSA-N -1 3 331.459 2.805 10 30 EFEEHM CC(C)CC(=N[N-]S(=O)(=O)Cc1ccccc1)C1CCOCC1 ZINC000905439406 1103198616 /nfs/dbraw/zinc/19/86/16/1103198616.db2.gz QQNLGDCMUXKKJE-UHFFFAOYSA-N -1 3 338.473 2.935 10 30 EFEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001661750543 1103406101 /nfs/dbraw/zinc/40/61/01/1103406101.db2.gz ATOYYVRKVLNNCA-JTQLQIEISA-N -1 3 348.237 2.977 10 30 EFEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001663061801 1103953136 /nfs/dbraw/zinc/95/31/36/1103953136.db2.gz QTNWCQHBEIKLQC-GFCCVEGCSA-N -1 3 329.393 2.554 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC ZINC001664237909 1104325083 /nfs/dbraw/zinc/32/50/83/1104325083.db2.gz UZPQSYZIGNPFNR-AWEZNQCLSA-N -1 3 345.848 2.657 10 30 EFEEHM C#Cc1cccc(C[N-]S(=O)(=O)c2occc2Br)c1 ZINC001664432154 1104392745 /nfs/dbraw/zinc/39/27/45/1104392745.db2.gz 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1106241757 /nfs/dbraw/zinc/24/17/57/1106241757.db2.gz KCRDEPFGHCHFQD-UHFFFAOYSA-N -1 3 335.404 2.676 10 30 EFEEHM C=C(C)c1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC001675377393 1106349327 /nfs/dbraw/zinc/34/93/27/1106349327.db2.gz HQNQDUFWQCBVGM-UHFFFAOYSA-N -1 3 339.395 2.977 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001677754029 1106874117 /nfs/dbraw/zinc/87/41/17/1106874117.db2.gz TTYLMARSOVODQL-NFOMZHRRSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)CCC(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001678019824 1107006666 /nfs/dbraw/zinc/00/66/66/1107006666.db2.gz RUJMPWPXSYEPSJ-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=C1CCC(C(=O)N[C@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CC1 ZINC000888235762 1107087138 /nfs/dbraw/zinc/08/71/38/1107087138.db2.gz YSUOGIGFLDJAKJ-HNNXBMFYSA-N -1 3 344.459 2.747 10 30 EFEEHM C[C@@]1(C(=O)N([O-])Cc2cccc3ccccc32)CCCS1(=O)=O ZINC000904172830 1107689386 /nfs/dbraw/zinc/68/93/86/1107689386.db2.gz KXPXTIMEBVNBLQ-KRWDZBQOSA-N -1 3 333.409 2.525 10 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/nfs/dbraw/zinc/72/07/38/1107720738.db2.gz FCKLPYSQGBQWPZ-UHFFFAOYSA-N -1 3 333.432 2.732 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 ZINC000904206058 1107720961 /nfs/dbraw/zinc/72/09/61/1107720961.db2.gz ZRPCUHFWEYIDIR-GFCCVEGCSA-N -1 3 331.409 2.786 10 30 EFEEHM C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001680661346 1108003164 /nfs/dbraw/zinc/00/31/64/1108003164.db2.gz XZHLEXXBLAVYEK-NVXWUHKLSA-N -1 3 342.439 2.695 10 30 EFEEHM COC(=O)CC1CC(/N=C/c2cc(Br)ccc2[O-])C1 ZINC000905003234 1108320985 /nfs/dbraw/zinc/32/09/85/1108320985.db2.gz WJEZABIJRJYPOS-LZYBPNLTSA-N -1 3 326.190 2.915 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC001681757302 1108410543 /nfs/dbraw/zinc/41/05/43/1108410543.db2.gz VKTJLUXXTBNTRU-KUHUBIRLSA-N -1 3 332.444 2.961 10 30 EFEEHM C#CC1(O)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000899116716 1109211512 /nfs/dbraw/zinc/21/15/12/1109211512.db2.gz SICFUODMTGYALS-UHFFFAOYSA-N -1 3 335.403 2.583 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CS(=O)(=O)[N-]CC(=O)C1(C)CCCC1 ZINC000918200945 1112103681 /nfs/dbraw/zinc/10/36/81/1112103681.db2.gz FGMCIVWLMJBBLN-UHFFFAOYSA-N -1 3 348.468 2.744 10 30 EFEEHM C=CCC1(C(=O)NCC2(NC(=O)c3ccccc3[O-])CC2)CCC1 ZINC001299237153 1120674002 /nfs/dbraw/zinc/67/40/02/1120674002.db2.gz KRHRFONZWXRUMB-UHFFFAOYSA-N -1 3 328.412 2.517 10 30 EFEEHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)cc2)c1OC ZINC000103501862 219308070 /nfs/dbraw/zinc/30/80/70/219308070.db2.gz DKYWIDPFQOXNDG-CQSZACIVSA-N -1 3 342.326 2.804 10 30 EFEEHM N#CCN(CC#N)c1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-] ZINC000040617938 213359059 /nfs/dbraw/zinc/35/90/59/213359059.db2.gz PATMHXQUJYEHAC-UHFFFAOYSA-N -1 3 343.734 2.635 10 30 EFEEHM C=CCC[C@@H](CN1CCC(C(=O)[O-])CC1)Oc1ncc(Cl)cn1 ZINC000072458891 216244051 /nfs/dbraw/zinc/24/40/51/216244051.db2.gz DINUYXORWGECOF-AWEZNQCLSA-N -1 3 339.823 2.640 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194852003 240184323 /nfs/dbraw/zinc/18/43/23/240184323.db2.gz PONRAMJEKIVKEW-UHFFFAOYSA-N -1 3 334.379 2.916 10 30 EFEEHM C=CCC[C@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298830851 241162662 /nfs/dbraw/zinc/16/26/62/241162662.db2.gz CJWDGZLAVOUPRY-CVEARBPZSA-N -1 3 340.427 2.554 10 30 EFEEHM CCN(CCC#N)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000347017271 241832132 /nfs/dbraw/zinc/83/21/32/241832132.db2.gz GKFGPDMGGMAQBL-UHFFFAOYSA-N -1 3 348.200 2.666 10 30 EFEEHM Cc1csc([C@H]([N-]S(=O)(=O)CC2(C#N)CCC2)C2CC2)n1 ZINC000354114258 241987517 /nfs/dbraw/zinc/98/75/17/241987517.db2.gz FKZNSLBOVJSOHX-GFCCVEGCSA-N -1 3 325.459 2.516 10 30 EFEEHM CC(C)(C#N)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000360266908 242193108 /nfs/dbraw/zinc/19/31/08/242193108.db2.gz SZCVXKSBGOGJAN-UHFFFAOYSA-N -1 3 348.200 2.570 10 30 EFEEHM N#Cc1ccc(OC2CCN(C(=O)c3cccc(O)c3[O-])CC2)cc1 ZINC000366084883 242340700 /nfs/dbraw/zinc/34/07/00/242340700.db2.gz GHMXHSGGLPHCHL-UHFFFAOYSA-N -1 3 338.363 2.653 10 30 EFEEHM N#Cc1cccc(CN[C@H](CN2CCCc3ccccc32)C(=O)[O-])c1 ZINC000426734683 247294078 /nfs/dbraw/zinc/29/40/78/247294078.db2.gz QZTVOOWYCACVOZ-GOSISDBHSA-N -1 3 335.407 2.554 10 30 EFEEHM COC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC(C)C)c[n-]1 ZINC000432893282 248001884 /nfs/dbraw/zinc/00/18/84/248001884.db2.gz ROJBFAXFHJGGKQ-UHFFFAOYSA-N -1 3 327.340 2.712 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435438411 248241430 /nfs/dbraw/zinc/24/14/30/248241430.db2.gz PSJAXSIUNCXDPT-ZDUSSCGKSA-N -1 3 334.422 2.649 10 30 EFEEHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435436351 248242113 /nfs/dbraw/zinc/24/21/13/248242113.db2.gz FOQJYIAIKGOLHM-UHFFFAOYSA-N -1 3 336.438 2.539 10 30 EFEEHM CN(C(=O)c1ccc(C#N)c([O-])c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000442675010 250101592 /nfs/dbraw/zinc/10/15/92/250101592.db2.gz HRFGOJZFMFOATA-GOSISDBHSA-N -1 3 335.407 2.610 10 30 EFEEHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000443155403 250165906 /nfs/dbraw/zinc/16/59/06/250165906.db2.gz INZDKCOIOMMRCQ-GXFFZTMASA-N -1 3 347.362 2.851 10 30 EFEEHM C=CCCN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444414369 250298789 /nfs/dbraw/zinc/29/87/89/250298789.db2.gz PXUKWEYFXAOPCT-UHFFFAOYSA-N -1 3 335.201 2.939 10 30 EFEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000451911068 251721838 /nfs/dbraw/zinc/72/18/38/251721838.db2.gz PBYOKWREIDQBCV-OLZOCXBDSA-N -1 3 333.812 2.799 10 30 EFEEHM CCN(CCC#N)c1ccc(C=NNc2nc(C)cc(=O)[n-]2)c(C)c1 ZINC000009403886 258054125 /nfs/dbraw/zinc/05/41/25/258054125.db2.gz IEYQDFZDQPQRQW-UDWIEESQSA-N -1 3 338.415 2.573 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000343604889 145249923 /nfs/dbraw/zinc/24/99/23/145249923.db2.gz UYAWTOHUCMUCBX-INIZCTEOSA-N -1 3 346.383 2.726 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3nnc(-c4ccccn4)[n-]3)CC2)c1 ZINC000351637293 146165757 /nfs/dbraw/zinc/16/57/57/146165757.db2.gz SVSJSSDRVCCRRM-UHFFFAOYSA-N -1 3 348.341 2.548 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3nc(-c4ccccn4)n[n-]3)CC2)c1 ZINC000351637293 146165758 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COC(=O)c1sc([N-]C(=O)c2ccc(C#N)o2)nc1C(C)(C)C ZINC000341807800 277455837 /nfs/dbraw/zinc/45/58/37/277455837.db2.gz GOVGGUUGQYDJBQ-UHFFFAOYSA-N -1 3 333.369 2.944 10 30 EFEEHM CC[C@@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000155674127 280235448 /nfs/dbraw/zinc/23/54/48/280235448.db2.gz HWJBLLQCHHSDRG-OAHLLOKOSA-N -1 3 329.444 2.977 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000566981207 319128591 /nfs/dbraw/zinc/12/85/91/319128591.db2.gz DRIPEXHXFLVORY-GFCCVEGCSA-N -1 3 340.445 2.509 10 30 EFEEHM CCc1cc(=O)[n-]c(CSCc2ccc(C#N)cc2[N+](=O)[O-])n1 ZINC000576997696 320067967 /nfs/dbraw/zinc/06/79/67/320067967.db2.gz YLQVLWGGJRFGQC-UHFFFAOYSA-N -1 3 330.369 2.958 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3n2CC#N)n[n-]1 ZINC000610937834 450384631 /nfs/dbraw/zinc/38/46/31/450384631.db2.gz ZUOYGZVCBXCKBE-UHFFFAOYSA-N -1 3 345.366 2.541 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2cc3ccccc3n2CC#N)[n-]n1 ZINC000610937834 450384635 /nfs/dbraw/zinc/38/46/35/450384635.db2.gz ZUOYGZVCBXCKBE-UHFFFAOYSA-N -1 3 345.366 2.541 10 30 EFEEHM N#Cc1ccc(N2CC[C@H](c3cc(=O)[n-]c(N)n3)C2)c(C(F)(F)F)c1 ZINC000600880644 468674615 /nfs/dbraw/zinc/67/46/15/468674615.db2.gz RQGDKKUVBMHCPA-JTQLQIEISA-N -1 3 349.316 2.649 10 30 EFEEHM O=C(CCCC1CCN(C(=O)CCCc2ccccc2)CC1)N[O-] ZINC000147442514 473308901 /nfs/dbraw/zinc/30/89/01/473308901.db2.gz CMFQOTKQZFPECE-UHFFFAOYSA-N -1 3 332.444 2.924 10 30 EFEEHM CCc1nc(C(C#N)=C([O-])c2cccc(NC(N)=O)c2)sc1C ZINC000083817786 473368798 /nfs/dbraw/zinc/36/87/98/473368798.db2.gz AVWLLLVAPCXIOG-LBPRGKRZSA-N -1 3 328.397 2.995 10 30 EFEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2ccc(Cl)o2)c(F)c1 ZINC000616406475 479900586 /nfs/dbraw/zinc/90/05/86/479900586.db2.gz DYWLQOGKQRPCDM-UHFFFAOYSA-N -1 3 328.752 2.563 10 30 EFEEHM CCOC(=O)c1sc2[n-]c(CSCCC#N)nc(=O)c2c1C ZINC000002654636 471415107 /nfs/dbraw/zinc/41/51/07/471415107.db2.gz FYNRIQZZPBKQCZ-UHFFFAOYSA-N -1 3 337.426 2.617 10 30 EFEEHM CC(C)[C@](C)(C#N)NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008935811 471707652 /nfs/dbraw/zinc/70/76/52/471707652.db2.gz VHMUAGPKOMAJBQ-AWEZNQCLSA-N -1 3 335.458 2.680 10 30 EFEEHM COc1cc(C#N)ccc1OCC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000018260276 471974433 /nfs/dbraw/zinc/97/44/33/471974433.db2.gz FDUFPDJCUIMSSY-UHFFFAOYSA-N -1 3 329.356 2.870 10 30 EFEEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCC1 ZINC000625547321 479964916 /nfs/dbraw/zinc/96/49/16/479964916.db2.gz ONYGXPNUKYXKBO-UHFFFAOYSA-N -1 3 340.832 2.639 10 30 EFEEHM CC(C)CC(=O)N[C@@H](C(=O)Nc1nnc(C(F)(F)F)[n-]1)C(C)C ZINC000076946957 472430555 /nfs/dbraw/zinc/43/05/55/472430555.db2.gz WVWVNZODRORPCY-SECBINFHSA-N -1 3 335.330 2.598 10 30 EFEEHM CC(C)CC(=O)N[C@@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000076946957 472430563 /nfs/dbraw/zinc/43/05/63/472430563.db2.gz WVWVNZODRORPCY-SECBINFHSA-N -1 3 335.330 2.598 10 30 EFEEHM C[C@H](Oc1ccccc1C#N)C(=O)[N-]c1nncn1Cc1ccccc1 ZINC000117733292 472476418 /nfs/dbraw/zinc/47/64/18/472476418.db2.gz BWIRPARQSSZITJ-AWEZNQCLSA-N -1 3 347.378 2.604 10 30 EFEEHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)ccc2C)cn1 ZINC000101137850 472530842 /nfs/dbraw/zinc/53/08/42/472530842.db2.gz QRNNTCFQRDEIEU-ZDUSSCGKSA-N -1 3 330.775 2.826 10 30 EFEEHM C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1nnc(-c2ccccn2)[n-]1 ZINC000058316996 472544396 /nfs/dbraw/zinc/54/43/96/472544396.db2.gz QGUIYCYMANRFNN-NSHDSACASA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000058316996 472544400 /nfs/dbraw/zinc/54/44/00/472544400.db2.gz QGUIYCYMANRFNN-NSHDSACASA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000058316996 472544402 /nfs/dbraw/zinc/54/44/02/472544402.db2.gz QGUIYCYMANRFNN-NSHDSACASA-N -1 3 334.339 2.794 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(SCC#N)c2)n[n-]1 ZINC000119610110 472568729 /nfs/dbraw/zinc/56/87/29/472568729.db2.gz YREXBZFLYVTBON-UHFFFAOYSA-N -1 3 338.396 2.678 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2cccc(SCC#N)c2)[n-]n1 ZINC000119610110 472568735 /nfs/dbraw/zinc/56/87/35/472568735.db2.gz YREXBZFLYVTBON-UHFFFAOYSA-N -1 3 338.396 2.678 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n[n-]1 ZINC000156300346 472689319 /nfs/dbraw/zinc/68/93/19/472689319.db2.gz BBSWGVOAFVUFRZ-UHFFFAOYSA-N -1 3 326.747 2.588 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C#N)c(Cl)c2)[n-]n1 ZINC000156300346 472689325 /nfs/dbraw/zinc/68/93/25/472689325.db2.gz BBSWGVOAFVUFRZ-UHFFFAOYSA-N -1 3 326.747 2.588 10 30 EFEEHM C=CCN(C)C(=O)C(=O)[N-]c1scc(C(C)C)c1C(=O)OCC ZINC000121343258 472838904 /nfs/dbraw/zinc/83/89/04/472838904.db2.gz BLDBUHORZXXQIC-UHFFFAOYSA-N -1 3 338.429 2.631 10 30 EFEEHM CC(C)(C)n1cc(/C=C/C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cn1 ZINC000065606661 472987757 /nfs/dbraw/zinc/98/77/57/472987757.db2.gz SQQPLDGKGFIPGF-BJMVGYQFSA-N -1 3 347.440 2.906 10 30 EFEEHM N#Cc1ccc(CN2CC[C@H]([N-]c3nc4ccccc4o3)C2=O)cc1 ZINC000192248119 473655464 /nfs/dbraw/zinc/65/54/64/473655464.db2.gz RXQPGMAWQWESHC-INIZCTEOSA-N -1 3 332.363 2.912 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(C)c3C#N)CCC2)n1 ZINC000269819688 473888281 /nfs/dbraw/zinc/88/82/81/473888281.db2.gz NLMRZXZHDXMDAK-UHFFFAOYSA-N -1 3 347.465 2.989 10 30 EFEEHM N#C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C1CCCCC1 ZINC000288618061 474002363 /nfs/dbraw/zinc/00/23/63/474002363.db2.gz QCOQSFLICCZZGG-NSHDSACASA-N -1 3 347.362 2.851 10 30 EFEEHM C=CCCC(C)(C)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000633963934 480075518 /nfs/dbraw/zinc/07/55/18/480075518.db2.gz XSAHBMDEFRNVRE-LBPRGKRZSA-N -1 3 344.502 2.524 10 30 EFEEHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000188406394 474085307 /nfs/dbraw/zinc/08/53/07/474085307.db2.gz IEZRAIHXHFRGGT-OAHLLOKOSA-N -1 3 346.383 2.808 10 30 EFEEHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC1CCC(C#N)CC1 ZINC000282662540 474147064 /nfs/dbraw/zinc/14/70/64/474147064.db2.gz VLZMJORBJYCEHO-UHFFFAOYSA-N -1 3 337.401 2.512 10 30 EFEEHM Cc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000188644578 474152730 /nfs/dbraw/zinc/15/27/30/474152730.db2.gz IEZRAIHXHFRGGT-HNNXBMFYSA-N -1 3 346.383 2.808 10 30 EFEEHM C[C@H](CC#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282955185 474252776 /nfs/dbraw/zinc/25/27/76/474252776.db2.gz KAVNUIIYQBCMTD-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM N#Cc1c([N-]C(=O)c2cnc(OCC3CC3)cn2)sc2c1CCC2 ZINC000283813025 474502130 /nfs/dbraw/zinc/50/21/30/474502130.db2.gz ITOXXQRAFLXEMD-UHFFFAOYSA-N -1 3 340.408 2.940 10 30 EFEEHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000340810209 474683776 /nfs/dbraw/zinc/68/37/76/474683776.db2.gz BUJBASIEDXBLRO-ZETCQYMHSA-N -1 3 337.626 2.683 10 30 EFEEHM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000284663437 474711822 /nfs/dbraw/zinc/71/18/22/474711822.db2.gz FBBIXKUFGQOMQC-ZDUSSCGKSA-N -1 3 338.473 2.757 10 30 EFEEHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000613831996 480126500 /nfs/dbraw/zinc/12/65/00/480126500.db2.gz WFVUKMPQDSEJII-GFCCVEGCSA-N -1 3 346.305 2.700 10 30 EFEEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000339006704 474827736 /nfs/dbraw/zinc/82/77/36/474827736.db2.gz ZTYYGXQHMLOLEA-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1C#N ZINC000314126506 474860032 /nfs/dbraw/zinc/86/00/32/474860032.db2.gz JTMGPQAZYVRACV-UHFFFAOYSA-N -1 3 325.752 2.855 10 30 EFEEHM COc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000319722895 474902956 /nfs/dbraw/zinc/90/29/56/474902956.db2.gz RJOYWMBRPQTLMM-UHFFFAOYSA-N -1 3 337.788 2.725 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000293385711 474955320 /nfs/dbraw/zinc/95/53/20/474955320.db2.gz NFUMGSIWUNGYGK-GFCCVEGCSA-N -1 3 328.746 2.773 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2c(F)c(F)cc(F)c2F)cc1C#N ZINC000324563356 474970975 /nfs/dbraw/zinc/97/09/75/474970975.db2.gz SVECKNBTYVQRLD-UHFFFAOYSA-N -1 3 345.277 2.619 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)Nc1nccs1 ZINC000294589500 475072868 /nfs/dbraw/zinc/07/28/68/475072868.db2.gz NZBFMGUHXIABRO-JTQLQIEISA-N -1 3 331.388 2.824 10 30 EFEEHM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330415530 475241198 /nfs/dbraw/zinc/24/11/98/475241198.db2.gz CUXSFCUHOXIELC-JTQLQIEISA-N -1 3 346.435 2.574 10 30 EFEEHM CCOc1ccc(N(CCC#N)C(=O)c2c[n-]c(C(=O)OC)c2)cc1 ZINC000339891544 475595959 /nfs/dbraw/zinc/59/59/59/475595959.db2.gz IKYDAIAVSNHGBC-UHFFFAOYSA-N -1 3 341.367 2.760 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2coc(-c3ccccc3)n2)CCCC1 ZINC000352863008 475659751 /nfs/dbraw/zinc/65/97/51/475659751.db2.gz RWFWDPCSWXZLEL-UHFFFAOYSA-N -1 3 345.424 2.845 10 30 EFEEHM COCC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(C)o1 ZINC000352957880 475672069 /nfs/dbraw/zinc/67/20/69/475672069.db2.gz MHPQXYNEPNPGNU-CQSZACIVSA-N -1 3 340.445 2.669 10 30 EFEEHM COCCc1nnc(-c2cccc(C([O-])=C(C#N)c3ccccn3)c2)o1 ZINC000353085549 475687964 /nfs/dbraw/zinc/68/79/64/475687964.db2.gz QQYLTFIUJIBBOI-HNNXBMFYSA-N -1 3 348.362 2.811 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000340090585 475750430 /nfs/dbraw/zinc/75/04/30/475750430.db2.gz NBQMAJARAFOENK-INIZCTEOSA-N -1 3 331.372 2.522 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)CCC1 ZINC000349497666 475975504 /nfs/dbraw/zinc/97/55/04/475975504.db2.gz MBIZCWGXZLVGDW-ZDUSSCGKSA-N -1 3 346.374 2.946 10 30 EFEEHM Cc1cn2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2n1 ZINC000299612586 476146202 /nfs/dbraw/zinc/14/62/02/476146202.db2.gz HMRKHAQIEZYSBN-UHFFFAOYSA-N -1 3 349.394 2.803 10 30 EFEEHM COc1ccc2c(c1)CCC[C@@]2(NCc1cccc(C#N)c1)C(=O)[O-] ZINC000336885356 476177890 /nfs/dbraw/zinc/17/78/90/476177890.db2.gz DGUNKOPPNPQTNS-FQEVSTJZSA-N -1 3 336.391 2.973 10 30 EFEEHM Cc1nsc([N-]C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1C#N ZINC000362406675 476226092 /nfs/dbraw/zinc/22/60/92/476226092.db2.gz ZGUUATODLKNCLT-UHFFFAOYSA-N -1 3 342.359 2.604 10 30 EFEEHM N#C[C@@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCc2ccccc2C1 ZINC000354246808 476535065 /nfs/dbraw/zinc/53/50/65/476535065.db2.gz HWMOFULOJLWGJF-OAQYLSRUSA-N -1 3 343.386 2.709 10 30 EFEEHM Cc1nc(C)c(CC(=O)N[C@H](CCCC#N)c2ccccc2)c(=O)[n-]1 ZINC000352205991 476550461 /nfs/dbraw/zinc/55/04/61/476550461.db2.gz JYAGUCRIUHFEJZ-QGZVFWFLSA-N -1 3 338.411 2.893 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC1CCOCC1 ZINC000452209453 476882300 /nfs/dbraw/zinc/88/23/00/476882300.db2.gz QAHVOVFECJZKLB-UHFFFAOYSA-N -1 3 345.443 2.531 10 30 EFEEHM CC(=O)c1ncc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)s1 ZINC000415382621 476916867 /nfs/dbraw/zinc/91/68/67/476916867.db2.gz KIQQJUYETAKLRA-UHFFFAOYSA-N -1 3 326.381 2.743 10 30 EFEEHM O=C(COCC(F)(F)F)[N-][C@@H](c1cc(F)ccc1F)C(F)F ZINC000447711970 477041215 /nfs/dbraw/zinc/04/12/15/477041215.db2.gz AYOGNYLRXYRGIZ-JTQLQIEISA-N -1 3 333.203 2.966 10 30 EFEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000411190097 477146688 /nfs/dbraw/zinc/14/66/88/477146688.db2.gz HHUWHADPFFZBKJ-ZDUSSCGKSA-N -1 3 344.371 2.906 10 30 EFEEHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000416417095 477166188 /nfs/dbraw/zinc/16/61/88/477166188.db2.gz MUJLSSOQINKYNC-ZDUSSCGKSA-N -1 3 338.477 2.921 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000367104917 477346136 /nfs/dbraw/zinc/34/61/36/477346136.db2.gz BSMPZHVVRVCUPH-CJNGLKHVSA-N -1 3 348.449 2.676 10 30 EFEEHM C=CC[C@@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436498188 477495216 /nfs/dbraw/zinc/49/52/16/477495216.db2.gz VGPAYIBHBBZGBY-KRWDZBQOSA-N -1 3 325.408 2.844 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)s1 ZINC000377301771 477729484 /nfs/dbraw/zinc/72/94/84/477729484.db2.gz WEKHQCKNFIHRKY-UKRRQHHQSA-N -1 3 348.449 2.818 10 30 EFEEHM CCOC(=O)c1cc(C(=O)[N-]c2cc(C#N)ccc2NC2CC2)on1 ZINC000451616218 478127208 /nfs/dbraw/zinc/12/72/08/478127208.db2.gz VOETWIYKAMUBJG-UHFFFAOYSA-N -1 3 340.339 2.550 10 30 EFEEHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC1CCCCCC1 ZINC000451814444 478213276 /nfs/dbraw/zinc/21/32/76/478213276.db2.gz UMOZIAOXTAABEE-UHFFFAOYSA-N -1 3 337.401 2.715 10 30 EFEEHM CCCc1ccc(-c2cc(=NC(=O)[C@H](N)CCCCC#N)[nH][n-]2)cc1 ZINC000594465108 478399814 /nfs/dbraw/zinc/39/98/14/478399814.db2.gz VMDCIPNVKJBWAP-MRXNPFEDSA-N -1 3 339.443 2.801 10 30 EFEEHM Cc1nc(C)c(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594480862 478404693 /nfs/dbraw/zinc/40/46/93/478404693.db2.gz DUEOTCSYVFODCZ-UHFFFAOYSA-N -1 3 347.465 2.989 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1CCCCO1 ZINC000594485856 478406959 /nfs/dbraw/zinc/40/69/59/478406959.db2.gz BYRJXBGFQOJJOA-UONOGXRCSA-N -1 3 342.848 2.838 10 30 EFEEHM CCO[C@H](CS(=O)(=O)[N-]c1ccc(C#N)cc1Cl)C1CC1 ZINC000600652698 478456568 /nfs/dbraw/zinc/45/65/68/478456568.db2.gz AXGTZSPDRXFTDP-CQSZACIVSA-N -1 3 328.821 2.768 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)on2)CCCC1 ZINC000571009589 478498359 /nfs/dbraw/zinc/49/83/59/478498359.db2.gz KSJLDRRGVSYYNJ-UHFFFAOYSA-N -1 3 345.424 2.845 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000594790939 478540983 /nfs/dbraw/zinc/54/09/83/478540983.db2.gz ZHAUKBXUQQFTMT-RYUDHWBXSA-N -1 3 343.470 2.948 10 30 EFEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594801247 478544749 /nfs/dbraw/zinc/54/47/49/478544749.db2.gz LORMSXSWRXLUCA-AWEZNQCLSA-N -1 3 342.848 2.695 10 30 EFEEHM C=CCCSCC[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000594818003 478551600 /nfs/dbraw/zinc/55/16/00/478551600.db2.gz QSSYKVAIWCTZKO-UHFFFAOYSA-N -1 3 340.392 2.688 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](Oc3ccccc3)C2)s1 ZINC000594853656 478561765 /nfs/dbraw/zinc/56/17/65/478561765.db2.gz VPZQAVZAXCHODZ-AULYBMBSSA-N -1 3 334.422 2.508 10 30 EFEEHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000542710554 478678051 /nfs/dbraw/zinc/67/80/51/478678051.db2.gz VIDDWWYVDRLIDU-UHFFFAOYSA-N -1 3 326.727 2.939 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598208655 478705271 /nfs/dbraw/zinc/70/52/71/478705271.db2.gz MSDLVWLPVGODKW-YCPHGPKFSA-N -1 3 327.428 2.761 10 30 EFEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000595353200 478743714 /nfs/dbraw/zinc/74/37/14/478743714.db2.gz ICITXXGFKYYDBY-ZWKOTPCHSA-N -1 3 344.436 2.595 10 30 EFEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]CC[C@]1(C)CC1(F)F ZINC000601465370 478844963 /nfs/dbraw/zinc/84/49/63/478844963.db2.gz RWPLOHCEENQCFK-CYBMUJFWSA-N -1 3 332.347 2.720 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)CCCC1 ZINC000601539107 478869828 /nfs/dbraw/zinc/86/98/28/478869828.db2.gz MHZZNRSKCLRBGT-AWEZNQCLSA-N -1 3 328.384 2.840 10 30 EFEEHM N#CC[C@@H]1CCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000595619946 478894094 /nfs/dbraw/zinc/89/40/94/478894094.db2.gz HNGUTPQHYMSWND-AWEZNQCLSA-N -1 3 348.410 2.647 10 30 EFEEHM CN(C(=O)Cc1ccc(Br)cc1[O-])[C@@H]1CCC[C@@H]1C#N ZINC000601817555 479018594 /nfs/dbraw/zinc/01/85/94/479018594.db2.gz JJZKGCLMHZUBKG-DGCLKSJQSA-N -1 3 337.217 2.848 10 30 EFEEHM CCCc1ncc(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000568839512 479131236 /nfs/dbraw/zinc/13/12/36/479131236.db2.gz PIXMTQPBSDQLNI-UHFFFAOYSA-N -1 3 325.434 2.521 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000556332083 479170506 /nfs/dbraw/zinc/17/05/06/479170506.db2.gz WBWPEFDGJOBRDR-OLZOCXBDSA-N -1 3 336.240 2.756 10 30 EFEEHM C[C@]1(C#N)CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000596493123 479316601 /nfs/dbraw/zinc/31/66/01/479316601.db2.gz GQDPWOVZZOBXMX-CQSZACIVSA-N -1 3 338.205 2.600 10 30 EFEEHM Cc1ccc(OCCC[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593539727 479382250 /nfs/dbraw/zinc/38/22/50/479382250.db2.gz FZMNGCYLAJRILZ-UHFFFAOYSA-N -1 3 336.438 2.676 10 30 EFEEHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593546259 479384334 /nfs/dbraw/zinc/38/43/34/479384334.db2.gz UPAHCYNOLNWOSU-LLVKDONJSA-N -1 3 336.438 2.538 10 30 EFEEHM Cc1ccc(O[C@H](C)C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593558301 479387317 /nfs/dbraw/zinc/38/73/17/479387317.db2.gz VEPYJAQBWZMASU-GFCCVEGCSA-N -1 3 336.438 2.674 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000593568300 479390224 /nfs/dbraw/zinc/39/02/24/479390224.db2.gz UBNRAACGKGOQCA-APHBMKBZSA-N -1 3 330.434 2.626 10 30 EFEEHM Cc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593581654 479393561 /nfs/dbraw/zinc/39/35/61/479393561.db2.gz KNDHIPAFTGHZHH-GFCCVEGCSA-N -1 3 334.422 2.730 10 30 EFEEHM COc1cccc([C@H]2C[C@H]([N-]S(=O)(=O)c3ccsc3C#N)C2)c1 ZINC000593604890 479400126 /nfs/dbraw/zinc/40/01/26/479400126.db2.gz CDISSNRDBJOBIC-JOCQHMNTSA-N -1 3 348.449 2.853 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000593620550 479405243 /nfs/dbraw/zinc/40/52/43/479405243.db2.gz JXWXXEXJJPZGQS-UHFFFAOYSA-N -1 3 343.792 2.610 10 30 EFEEHM N#CC1(CC(=O)Nc2ccc(Br)cc2[O-])CCOCC1 ZINC000596794965 479430271 /nfs/dbraw/zinc/43/02/71/479430271.db2.gz WOTCAFJQOLKVLO-UHFFFAOYSA-N -1 3 339.189 2.804 10 30 EFEEHM Cc1nc(S(=O)(=O)Cc2ccnc(C#N)c2)[n-]c1-c1ccccc1 ZINC000614540908 479439420 /nfs/dbraw/zinc/43/94/20/479439420.db2.gz GOCIXTLPYMJXQT-UHFFFAOYSA-N -1 3 338.392 2.626 10 30 EFEEHM Cc1[n-]c(S(=O)(=O)Cc2ccnc(C#N)c2)nc1-c1ccccc1 ZINC000614540908 479439425 /nfs/dbraw/zinc/43/94/25/479439425.db2.gz GOCIXTLPYMJXQT-UHFFFAOYSA-N -1 3 338.392 2.626 10 30 EFEEHM N#Cc1c([N-]C(=O)c2nscc2Br)n[nH]c1C1CC1 ZINC000593897632 479502069 /nfs/dbraw/zinc/50/20/69/479502069.db2.gz UTWOGUBDPVBZJV-UHFFFAOYSA-N -1 3 338.190 2.630 10 30 EFEEHM N#CC(=C([O-])c1cc2[nH]cnc2cc1F)c1nnc2n1CCCCC2 ZINC000576658780 479582763 /nfs/dbraw/zinc/58/27/63/479582763.db2.gz YZZWHMFJIVBDIY-NSHDSACASA-N -1 3 338.346 2.510 10 30 EFEEHM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nnc2n1CCCCC2 ZINC000576658780 479582769 /nfs/dbraw/zinc/58/27/69/479582769.db2.gz YZZWHMFJIVBDIY-NSHDSACASA-N -1 3 338.346 2.510 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)CCCC1 ZINC000612678605 479729448 /nfs/dbraw/zinc/72/94/48/479729448.db2.gz UYNNDVJADJNQTF-CYBMUJFWSA-N -1 3 340.832 2.777 10 30 EFEEHM CCOCCn1cc(C([O-])=C(C#N)c2nccc3ccccc32)cn1 ZINC000621717797 479766610 /nfs/dbraw/zinc/76/66/10/479766610.db2.gz OENLBBVSUBINRR-QGZVFWFLSA-N -1 3 334.379 2.958 10 30 EFEEHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C(F)F ZINC000619502978 479814154 /nfs/dbraw/zinc/81/41/54/479814154.db2.gz MCBOZSVVWACDOH-UHFFFAOYSA-N -1 3 342.289 2.899 10 30 EFEEHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(Br)ccc1[O-] ZINC000613028819 479845204 /nfs/dbraw/zinc/84/52/04/479845204.db2.gz RSBXOVBQBCCTPB-GFCCVEGCSA-N -1 3 341.205 2.564 10 30 EFEEHM C=CC(C)(C)CCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000628317173 479852675 /nfs/dbraw/zinc/85/26/75/479852675.db2.gz YPHAKEAKDRQLST-UHFFFAOYSA-N -1 3 328.409 2.529 10 30 EFEEHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)F ZINC000619714499 479863598 /nfs/dbraw/zinc/86/35/98/479863598.db2.gz LEFMDTGNJYORHM-UHFFFAOYSA-N -1 3 342.289 2.899 10 30 EFEEHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)c1 ZINC000610085274 480235720 /nfs/dbraw/zinc/23/57/20/480235720.db2.gz FEFIJMFNSUTACI-LBPRGKRZSA-N -1 3 348.399 2.615 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c(F)c1 ZINC000610085618 480236174 /nfs/dbraw/zinc/23/61/74/480236174.db2.gz ZDHYMHNRRVNLEO-UHFFFAOYSA-N -1 3 341.367 2.724 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(C#N)c1 ZINC000610338739 480283107 /nfs/dbraw/zinc/28/31/07/480283107.db2.gz QMLATOLUGSTSLC-VIFPVBQESA-N -1 3 337.382 2.567 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)c1ccncc1 ZINC000610526773 480330967 /nfs/dbraw/zinc/33/09/67/480330967.db2.gz VSRBDJCDWSEIEW-LBPRGKRZSA-N -1 3 338.411 2.523 10 30 EFEEHM C=CC[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617781449 480361085 /nfs/dbraw/zinc/36/10/85/480361085.db2.gz MTNKTFVCLDUHRW-DOTOQJQBSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1coc(C(=O)N(C)C)c1C ZINC000632641188 480661962 /nfs/dbraw/zinc/66/19/62/480661962.db2.gz VNZQVDMDNDVVAT-UHFFFAOYSA-N -1 3 342.461 2.561 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C(=O)N=c1[nH][n-]c(C)c1-c1ccc(Cl)cc1 ZINC000641248031 480882229 /nfs/dbraw/zinc/88/22/29/480882229.db2.gz GDUFRNHOQFAGJF-KGLIPLIRSA-N -1 3 331.803 2.990 10 30 EFEEHM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1cnc2ccccc2n1 ZINC000659114429 481206471 /nfs/dbraw/zinc/20/64/71/481206471.db2.gz AICFDWHLQZANOJ-AWEZNQCLSA-N -1 3 347.378 2.668 10 30 EFEEHM C=CC[C@@H]1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640303172 481905764 /nfs/dbraw/zinc/90/57/64/481905764.db2.gz PXOWVCNWRZFVBM-SECBINFHSA-N -1 3 336.745 2.951 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000640317810 481914920 /nfs/dbraw/zinc/91/49/20/481914920.db2.gz LWFNSVAGYMDEGS-CMPLNLGQSA-N -1 3 341.253 2.861 10 30 EFEEHM C=C[C@@H]1OCCC[C@H]1[N-]c1nc(-c2cc(OC)cc(OC)c2)no1 ZINC000663971675 482429166 /nfs/dbraw/zinc/42/91/66/482429166.db2.gz KLKFBPWBEMNXMZ-CABCVRRESA-N -1 3 331.372 2.899 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@H]1C[C@H]1c1ccccc1 ZINC000157463622 526563613 /nfs/dbraw/zinc/56/36/13/526563613.db2.gz JQKLXWPCMZDQIF-ZBFHGGJFSA-N -1 3 330.384 2.779 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ncc(-c2cccc(F)c2)o1 ZINC000163749049 527285364 /nfs/dbraw/zinc/28/53/64/527285364.db2.gz ZRVPLMKFGVGSQF-UHFFFAOYSA-N -1 3 332.360 2.844 10 30 EFEEHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC000154058812 528235487 /nfs/dbraw/zinc/23/54/87/528235487.db2.gz DRILWWNNSIGSKH-UHFFFAOYSA-N -1 3 339.417 2.756 10 30 EFEEHM CCCCCCCS(=O)(=O)[N-]c1cnn(-c2ncccc2C#N)c1 ZINC000194808487 534989943 /nfs/dbraw/zinc/98/99/43/534989943.db2.gz AVHSMGQRSOZIHM-UHFFFAOYSA-N -1 3 347.444 2.851 10 30 EFEEHM COC(=O)c1cc([N-]C(=O)c2sccc2C#N)cc([N+](=O)[O-])c1 ZINC000346264048 536563974 /nfs/dbraw/zinc/56/39/74/536563974.db2.gz CQVBPMJYHVQRAB-UHFFFAOYSA-N -1 3 331.309 2.567 10 30 EFEEHM Cc1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nc(C)n1 ZINC000754363673 575425186 /nfs/dbraw/zinc/42/51/86/575425186.db2.gz CDLHKRZIVZAFQZ-UHFFFAOYSA-N -1 3 331.719 2.779 10 30 EFEEHM Cc1nn(C)c(C)c1-c1cc(C(=O)OCC2CCC(C#N)CC2)n[n-]1 ZINC000755973376 575665264 /nfs/dbraw/zinc/66/52/64/575665264.db2.gz BRBVLNQSQHLIMR-UHFFFAOYSA-N -1 3 341.415 2.914 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-]C(C1CCCC1)C1CCCC1 ZINC000758120451 575860282 /nfs/dbraw/zinc/86/02/82/575860282.db2.gz YBZCPAOWSQFCRR-UHFFFAOYSA-N -1 3 333.457 2.981 10 30 EFEEHM CCOC(=O)c1c(C)[nH]c(C)c1C(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000759230048 575887338 /nfs/dbraw/zinc/88/73/38/575887338.db2.gz CUOHPVAVJJLLIS-GWJCSSMESA-N -1 3 328.368 2.666 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C\c1cccc(Br)c1 ZINC000766046703 577101356 /nfs/dbraw/zinc/10/13/56/577101356.db2.gz AJDSHAIVNRTWKC-FWWRYZNZSA-N -1 3 343.246 2.887 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H]2CC[C@H](C)C2)ccc1F ZINC000767530139 577211816 /nfs/dbraw/zinc/21/18/16/577211816.db2.gz XONIWZQBHPGVPK-AAEUAGOBSA-N -1 3 341.404 2.635 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)cc1 ZINC000773979324 581476514 /nfs/dbraw/zinc/47/65/14/581476514.db2.gz ZTHQYPGUUUBZOB-JSNVTFDYSA-N -1 3 335.363 2.759 10 30 EFEEHM CCOc1cc(C=NN=c2cc[n-]n2C)ccc1OCC(F)(F)F ZINC000774408339 581490945 /nfs/dbraw/zinc/49/09/45/581490945.db2.gz BKLVNKSKSCRPFO-UHFFFAOYSA-N -1 3 342.321 2.628 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000774410540 581490970 /nfs/dbraw/zinc/49/09/70/581490970.db2.gz MBNCAKJPKRARQF-DZGCQCFKSA-N -1 3 347.463 2.810 10 30 EFEEHM Cc1cc(Cl)cc(C=NNS(=O)(=O)c2ccc(F)cc2)c1[O-] ZINC000774587307 581494821 /nfs/dbraw/zinc/49/48/21/581494821.db2.gz SMGYEYUWRPUZMJ-UHFFFAOYSA-N -1 3 342.779 2.806 10 30 EFEEHM C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746762839 1248780344 /nfs/dbraw/zinc/78/03/44/1248780344.db2.gz XKZMBIHZQDNTRN-HOCLYGCPSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC1(C(=O)N(C)[C@H]2CCN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001687196417 1248075375 /nfs/dbraw/zinc/07/53/75/1248075375.db2.gz WGDAYSUHRMSRSA-HNNXBMFYSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001687318179 1248232004 /nfs/dbraw/zinc/23/20/04/1248232004.db2.gz RLDLXFIZDFDGJI-UHFFFAOYSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCCCC(=O)N(C)CCN(C)C(=O)c1ccccc1[O-] ZINC001746870703 1251866865 /nfs/dbraw/zinc/86/68/65/1251866865.db2.gz UHINNBKUWFTGRP-UHFFFAOYSA-N -1 3 330.428 2.506 10 30 EFEEHM C[C@H](NC(=O)C1CCCC1)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051781 1258016850 /nfs/dbraw/zinc/01/68/50/1258016850.db2.gz GVHFGULXUZENGL-HNNXBMFYSA-N -1 3 332.444 2.922 10 30 EFEEHM O=C(c1ccc(N2CCCC2)nn1)N([O-])CCCCc1ccccc1 ZINC001649051871 1258018483 /nfs/dbraw/zinc/01/84/83/1258018483.db2.gz JLTSSWVBJKIJNN-UHFFFAOYSA-N -1 3 340.427 2.931 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CC1 ZINC001671401690 1258895059 /nfs/dbraw/zinc/89/50/59/1258895059.db2.gz ZOVOPCQWKUCWME-OAQYLSRUSA-N -1 3 348.534 2.998 10 30 EFEEHM COc1cc(/C=C/C(=O)c2cn3cccnc3n2)cc(Cl)c1[O-] ZINC000791427908 1278119499 /nfs/dbraw/zinc/11/94/99/1278119499.db2.gz KPOCZHSNRQIZJB-ONEGZZNKSA-N -1 3 329.743 2.993 10 30 EFEEHM CC[C@H](C)n1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1C ZINC000791784180 1278375245 /nfs/dbraw/zinc/37/52/45/1278375245.db2.gz QCZRLCJPODWREM-WCQYABFASA-N -1 3 325.372 2.519 10 30 EFEEHM CC(C)[C@](C)(C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000824984581 1278378274 /nfs/dbraw/zinc/37/82/74/1278378274.db2.gz ZJMMSZFXESVSQB-HNNXBMFYSA-N -1 3 333.342 2.549 10 30 EFEEHM CC(C)C[C@H](C#N)[N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC000825417850 1278544454 /nfs/dbraw/zinc/54/44/54/1278544454.db2.gz QDXLIYJEJCUVGX-CYBMUJFWSA-N -1 3 333.342 2.549 10 30 EFEEHM C=CCC[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)CC)c1ccccc1 ZINC000866990941 1272798119 /nfs/dbraw/zinc/79/81/19/1272798119.db2.gz DZQGFYYMAJUHIL-VLIAUNLRSA-N -1 3 330.475 2.646 10 30 EFEEHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820143588 1277044261 /nfs/dbraw/zinc/04/42/61/1277044261.db2.gz LFRUJDFAHKHSSC-ABZNLYFFSA-N -1 3 329.183 2.503 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000804457584 1280219356 /nfs/dbraw/zinc/21/93/56/1280219356.db2.gz AJKRCSARPFLYCI-INIZCTEOSA-N -1 3 336.391 2.715 10 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1292023592 /nfs/dbraw/zinc/02/35/92/1292023592.db2.gz BBVMRKMIIBJFOU-JTQLQIEISA-N -1 3 348.186 2.508 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OCC ZINC000882644821 1293276525 /nfs/dbraw/zinc/27/65/25/1293276525.db2.gz BPPNZUUIMPMNMG-KVPUOBJLSA-N -1 3 341.404 2.614 10 30 EFEEHM N#Cc1ccc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)s1 ZINC001276440687 1313081575 /nfs/dbraw/zinc/08/15/75/1313081575.db2.gz DFANXJOARZZIGK-UHFFFAOYSA-N -1 3 337.307 2.936 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000160822975 1295162002 /nfs/dbraw/zinc/16/20/02/1295162002.db2.gz SEEXRDRQWDHRAS-MRVPVSSYSA-N -1 3 327.818 2.708 10 30 EFEEHM C[C@@H](Nc1cc(F)ccc1C#N)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001412895789 1295706047 /nfs/dbraw/zinc/70/60/47/1295706047.db2.gz YUPTTXYEIUCOJZ-WDEREUQCSA-N -1 3 328.347 2.873 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001488146169 1296323822 /nfs/dbraw/zinc/32/38/22/1296323822.db2.gz CRJLWSPAUFLXHR-NVXWUHKLSA-N -1 3 342.439 2.695 10 30 EFEEHM CC[C@H](C[N-]S(=O)(=O)c1cc(F)cc(C#N)c1)CC(F)(F)F ZINC000867404059 1297067081 /nfs/dbraw/zinc/06/70/81/1297067081.db2.gz DGQKHZGYIIDWPT-VIFPVBQESA-N -1 3 338.326 2.954 10 30 EFEEHM C#CCCCC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001488452159 1297442787 /nfs/dbraw/zinc/44/27/87/1297442787.db2.gz MOCWLRUPVLIDBK-UHFFFAOYSA-N -1 3 330.428 2.505 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001488609638 1297562921 /nfs/dbraw/zinc/56/29/21/1297562921.db2.gz IYVMAXNZLGGOFJ-CABCVRRESA-N -1 3 342.439 2.739 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001488609640 1297563227 /nfs/dbraw/zinc/56/32/27/1297563227.db2.gz IYVMAXNZLGGOFJ-HUUCEWRRSA-N -1 3 342.439 2.739 10 30 EFEEHM C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001489746832 1298300860 /nfs/dbraw/zinc/30/08/60/1298300860.db2.gz FUZYZXKYWSJGMC-INIZCTEOSA-N -1 3 342.439 2.834 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490683367 1299084826 /nfs/dbraw/zinc/08/48/26/1299084826.db2.gz FGGCOOVQYPCRET-FSDCSDTHSA-N -1 3 342.439 2.856 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004926 1300386982 /nfs/dbraw/zinc/38/69/82/1300386982.db2.gz LMCRROAJINZUBS-NXEZZACHSA-N -1 3 331.342 2.758 10 30 EFEEHM C#CC[C@H](COC)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000859425978 1301459916 /nfs/dbraw/zinc/45/99/16/1301459916.db2.gz AYPOIGGBTONSJP-SNVBAGLBSA-N -1 3 336.240 2.618 10 30 EFEEHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cn(C[C@@H]2CCOC2)nn1 ZINC000865218750 1303192314 /nfs/dbraw/zinc/19/23/14/1303192314.db2.gz VMZMMRUPLFRPCL-RDKZWCBSSA-N -1 3 343.358 2.543 10 30 EFEEHM CCNC(=O)N(C)c1cccc(N=Cc2c([O-])c(C)ncc2CO)c1 ZINC000794834091 1303201003 /nfs/dbraw/zinc/20/10/03/1303201003.db2.gz QIUCWUFOVKQGFM-UHFFFAOYSA-N -1 3 342.399 2.504 10 30 EFEEHM COc1cc(N=Cc2ccc(O)c([O-])c2O)c(OC)c(C)c1OC ZINC000794848563 1303293099 /nfs/dbraw/zinc/29/30/99/1303293099.db2.gz QSMYKFQTYWWXBK-UHFFFAOYSA-N -1 3 333.340 2.888 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000867485622 1303829975 /nfs/dbraw/zinc/82/99/75/1303829975.db2.gz VWCAIGOVXFKZJY-FQEVSTJZSA-N -1 3 330.475 2.724 10 30 EFEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000867847565 1303985233 /nfs/dbraw/zinc/98/52/33/1303985233.db2.gz CRAIMRNOESHMBX-ZYHUDNBSSA-N -1 3 348.321 2.873 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869154830 1304635217 /nfs/dbraw/zinc/63/52/17/1304635217.db2.gz ZGYADXBDBLUJRZ-MRVPVSSYSA-N -1 3 329.150 2.522 10 30 EFEEHM C#CCCCCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000869346744 1304734395 /nfs/dbraw/zinc/73/43/95/1304734395.db2.gz DKRHGWWQRRQQAL-MRXNPFEDSA-N -1 3 329.396 2.734 10 30 EFEEHM N#Cc1c([N-]C(=O)c2ncsc2Br)n[nH]c1C1CC1 ZINC000870233484 1305216841 /nfs/dbraw/zinc/21/68/41/1305216841.db2.gz YHPBCDFNDMAGMC-UHFFFAOYSA-N -1 3 338.190 2.630 10 30 EFEEHM Cc1cc(C(=O)/C=C/c2c3c(nn2C)CCSC3)cc(O)c1[O-] ZINC000901522126 1310603385 /nfs/dbraw/zinc/60/33/85/1310603385.db2.gz JEBRBRFFFDCUEI-ONEGZZNKSA-N -1 3 330.409 2.825 10 30 EFEEHM CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2ccc(F)c(C#N)c2)O1 ZINC000901629109 1310782118 /nfs/dbraw/zinc/78/21/18/1310782118.db2.gz VUATYUXDFATKBC-ZDUSSCGKSA-N -1 3 326.393 2.787 10 30 EFEEHM Cc1sc(C)c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c1C ZINC000901768769 1311022247 /nfs/dbraw/zinc/02/22/47/1311022247.db2.gz ANWHJZSEEQYYII-SECBINFHSA-N -1 3 326.365 2.796 10 30 EFEEHM N#CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1)C(F)(F)F ZINC000901768856 1311022278 /nfs/dbraw/zinc/02/22/78/1311022278.db2.gz CRBDNVJFSHJIFQ-SECBINFHSA-N -1 3 346.252 2.886 10 30 EFEEHM Cc1nc2ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc2s1 ZINC000901771141 1311024073 /nfs/dbraw/zinc/02/40/73/1311024073.db2.gz IALPDXOBOSEQOH-NSHDSACASA-N -1 3 349.359 2.728 10 30 EFEEHM C[C@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C1CCCC1 ZINC001161802252 1311976031 /nfs/dbraw/zinc/97/60/31/1311976031.db2.gz OITVBNFNMUAJLU-ZDUSSCGKSA-N -1 3 344.411 2.717 10 30 EFEEHM O=C(CNC(=O)C1CCCCC1)N([O-])CCCCc1ccccc1 ZINC001161807821 1311978362 /nfs/dbraw/zinc/97/83/62/1311978362.db2.gz OXJXJZIKBNIKSJ-UHFFFAOYSA-N -1 3 332.444 2.924 10 30 EFEEHM Cc1cc(F)cc(-n2cc(C(=O)N([O-])Cc3ccc(F)cc3)nn2)c1 ZINC001161842423 1311985169 /nfs/dbraw/zinc/98/51/69/1311985169.db2.gz DDSYBAPWUCIIDG-UHFFFAOYSA-N -1 3 344.321 2.886 10 30 EFEEHM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000903120835 1312374461 /nfs/dbraw/zinc/37/44/61/1312374461.db2.gz QPGMIQHHJVWITE-UHFFFAOYSA-N -1 3 330.475 2.923 10 30 EFEEHM C[C@H](NCc1cn(C)nc1Br)c1cccc(C#N)c1[O-] ZINC000903188644 1312443690 /nfs/dbraw/zinc/44/36/90/1312443690.db2.gz URAKNNLPPRVGFH-VIFPVBQESA-N -1 3 335.205 2.611 10 30 EFEEHM C#Cc1ccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c(Cl)c1 ZINC001220235280 1315387838 /nfs/dbraw/zinc/38/78/38/1315387838.db2.gz SKTINEUFGMLIOL-UHFFFAOYSA-N -1 3 343.696 2.780 10 30 EFEEHM CC[C@@H](C[N-]C(=O)C(F)F)NCc1c(F)c(F)c(F)c(F)c1F ZINC001318494141 1328619425 /nfs/dbraw/zinc/61/94/25/1328619425.db2.gz LITCIGZMFQJDBG-YFKPBYRVSA-N -1 3 346.246 2.632 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001299643208 1316314019 /nfs/dbraw/zinc/31/40/19/1316314019.db2.gz WPUYCGCRSWYMRZ-WOJBJXKFSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001262990683 1316513611 /nfs/dbraw/zinc/51/36/11/1316513611.db2.gz KLUZWAQRIHIHDY-SDDRHHMPSA-N -1 3 347.854 2.918 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC001262990683 1316513614 /nfs/dbraw/zinc/51/36/14/1316513614.db2.gz KLUZWAQRIHIHDY-SDDRHHMPSA-N -1 3 347.854 2.918 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001282054975 1318687576 /nfs/dbraw/zinc/68/75/76/1318687576.db2.gz FODTXMSJCGILOM-AUUYWEPGSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001283457124 1319718250 /nfs/dbraw/zinc/71/82/50/1319718250.db2.gz SWJVAFXAYPFGAM-CABCVRRESA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001284120324 1320209373 /nfs/dbraw/zinc/20/93/73/1320209373.db2.gz XTLSNKXBMDSTNX-CQSZACIVSA-N -1 3 330.428 2.573 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001287856944 1321529336 /nfs/dbraw/zinc/52/93/36/1321529336.db2.gz RPVCZXQUEUDHDC-RDJZCZTQSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C)CC1 ZINC001287857468 1321529579 /nfs/dbraw/zinc/52/95/79/1321529579.db2.gz VBGIHUBMPFSVHP-ZBFHGGJFSA-N -1 3 342.439 2.858 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001288010741 1321582176 /nfs/dbraw/zinc/58/21/76/1321582176.db2.gz DHOOZLXLTHAMLO-UKRRQHHQSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001293852537 1322369277 /nfs/dbraw/zinc/36/92/77/1322369277.db2.gz VMEGSCPGNXLZNB-IFXJQAMLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001296835452 1323024274 /nfs/dbraw/zinc/02/42/74/1323024274.db2.gz UIBKGYAXWJKMLB-OAHLLOKOSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001296867238 1323038765 /nfs/dbraw/zinc/03/87/65/1323038765.db2.gz CHKREYVXKQFCNK-HNNXBMFYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001298112172 1323433574 /nfs/dbraw/zinc/43/35/74/1323433574.db2.gz NHSDUYQBNBNHMM-GOEBONIOSA-N -1 3 330.428 2.763 10 30 EFEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OC/C=C\Cl ZINC001298867900 1323625331 /nfs/dbraw/zinc/62/53/31/1323625331.db2.gz AYZDEPSMAYCDLO-RJRFIUFISA-N -1 3 329.581 2.664 10 30 EFEEHM C#CC[C@H](COC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001301823362 1324560918 /nfs/dbraw/zinc/56/09/18/1324560918.db2.gz WZLKDOIBLBUVSP-CQSZACIVSA-N -1 3 325.364 2.953 10 30 EFEEHM O=C(c1cc(-n2ccnn2)ccc1F)N([O-])Cc1ccc(F)cc1 ZINC001306899002 1324730257 /nfs/dbraw/zinc/73/02/57/1324730257.db2.gz VCCCRRBOBKOYOP-UHFFFAOYSA-N -1 3 330.294 2.577 10 30 EFEEHM C=CCCOCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309371992 1324866499 /nfs/dbraw/zinc/86/64/99/1324866499.db2.gz QDFAYHWVGHTANQ-UHFFFAOYSA-N -1 3 346.861 2.821 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OCC ZINC001309806997 1324887787 /nfs/dbraw/zinc/88/77/87/1324887787.db2.gz HXWZULRHEPOPAY-QGZVFWFLSA-N -1 3 349.452 2.791 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)C1=Cc2ccccc2CC1)C(=O)OCC ZINC001309806996 1324888293 /nfs/dbraw/zinc/88/82/93/1324888293.db2.gz HXWZULRHEPOPAY-KRWDZBQOSA-N -1 3 349.452 2.791 10 30 EFEEHM C=CCCS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001309912563 1324893425 /nfs/dbraw/zinc/89/34/25/1324893425.db2.gz QMLKDKNWRVYJTO-OAHLLOKOSA-N -1 3 339.457 2.873 10 30 EFEEHM C=CCO[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC001320899819 1329315965 /nfs/dbraw/zinc/31/59/65/1329315965.db2.gz YFOCAANQWUWFJG-GFCCVEGCSA-N -1 3 325.368 2.859 10 30 EFEEHM C=CCO[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC001320899820 1329316223 /nfs/dbraw/zinc/31/62/23/1329316223.db2.gz YFOCAANQWUWFJG-LBPRGKRZSA-N -1 3 325.368 2.859 10 30 EFEEHM CN(CC#Cc1cccc(Cl)c1)CCNC(=O)c1ccccc1[O-] ZINC001317438549 1328026080 /nfs/dbraw/zinc/02/60/80/1328026080.db2.gz GJJKNANRBSLWLK-UHFFFAOYSA-N -1 3 342.826 2.759 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336966401 1331522003 /nfs/dbraw/zinc/52/20/03/1331522003.db2.gz KXMHLRPPWDJRIC-JXFKEZNVSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC2CC1(c1ccccc1)C2 ZINC001338886181 1331753324 /nfs/dbraw/zinc/75/33/24/1331753324.db2.gz XFGHKBDAKTWKJH-UHFFFAOYSA-N -1 3 349.394 2.950 10 30 EFEEHM C=CC[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC=C)C1 ZINC001339091081 1331788481 /nfs/dbraw/zinc/78/84/81/1331788481.db2.gz KUBOUEIWDONBCT-NSHDSACASA-N -1 3 333.827 2.695 10 30 EFEEHM C=CC[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC=C)C1 ZINC001339091081 1331788483 /nfs/dbraw/zinc/78/84/83/1331788483.db2.gz KUBOUEIWDONBCT-NSHDSACASA-N -1 3 333.827 2.695 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccc(C)s1 ZINC001339091403 1331789015 /nfs/dbraw/zinc/78/90/15/1331789015.db2.gz UHEAEJDCODKDPN-UHFFFAOYSA-N -1 3 349.851 2.909 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccc(C)s1 ZINC001339091403 1331789017 /nfs/dbraw/zinc/78/90/17/1331789017.db2.gz UHEAEJDCODKDPN-UHFFFAOYSA-N -1 3 349.851 2.909 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001339607200 1331911616 /nfs/dbraw/zinc/91/16/16/1331911616.db2.gz QHQJIEIZNDSYLH-CQSZACIVSA-N -1 3 340.431 2.643 10 30 EFEEHM C#CCCCCC(=O)N[C@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001339785468 1331958107 /nfs/dbraw/zinc/95/81/07/1331958107.db2.gz UYNCOSMIXKCKGQ-CABCVRRESA-N -1 3 330.428 2.599 10 30 EFEEHM C=CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001347394475 1332740461 /nfs/dbraw/zinc/74/04/61/1332740461.db2.gz XDJQDXZKKIPEEB-BMFZPTHFSA-N -1 3 328.412 2.610 10 30 EFEEHM C=CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(C)C)CC1 ZINC001347679056 1332765992 /nfs/dbraw/zinc/76/59/92/1332765992.db2.gz AFDJSCLVXFYPMA-UHFFFAOYSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(C)C)CC1 ZINC001347679056 1332765995 /nfs/dbraw/zinc/76/59/95/1332765995.db2.gz AFDJSCLVXFYPMA-UHFFFAOYSA-N -1 3 335.843 2.775 10 30 EFEEHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC001347806107 1332774786 /nfs/dbraw/zinc/77/47/86/1332774786.db2.gz SKMLCGYSWMVVRZ-QGZVFWFLSA-N -1 3 338.411 2.975 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(C(=O)c2ccccc2[O-])CC1 ZINC001350764199 1333128979 /nfs/dbraw/zinc/12/89/79/1333128979.db2.gz GBMVYYUVFROZFX-HUUCEWRRSA-N -1 3 330.428 2.525 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)N(CC)CCCNC(=O)c1ccccc1[O-] ZINC001352047834 1333365791 /nfs/dbraw/zinc/36/57/91/1333365791.db2.gz IZRHVKQXCLRFMZ-GJZGRUSLSA-N -1 3 332.444 2.819 10 30 EFEEHM C=C[C@H](C(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001354449307 1334309655 /nfs/dbraw/zinc/30/96/55/1334309655.db2.gz YAGVKJSLCHNPKZ-ZBFHGGJFSA-N -1 3 338.407 2.597 10 30 EFEEHM CCC(CC)(COCc1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848131065 1334341857 /nfs/dbraw/zinc/34/18/57/1334341857.db2.gz XTFQICXKFMVXIW-INIZCTEOSA-N -1 3 348.443 2.506 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N(C)Cc1ccoc1C ZINC001355975458 1334922387 /nfs/dbraw/zinc/92/23/87/1334922387.db2.gz GVTVSUGUXVEXQG-UHFFFAOYSA-N -1 3 347.810 2.831 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N(C)Cc1ccoc1C ZINC001355975458 1334922392 /nfs/dbraw/zinc/92/23/92/1334922392.db2.gz GVTVSUGUXVEXQG-UHFFFAOYSA-N -1 3 347.810 2.831 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001356398429 1335030378 /nfs/dbraw/zinc/03/03/78/1335030378.db2.gz FLDYGDDWTHHQKE-IFXJQAMLSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCC(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001356948827 1335212309 /nfs/dbraw/zinc/21/23/09/1335212309.db2.gz PXDMTABRFTVPSI-FQEVSTJZSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@@H]2CNC(=O)c2ccccc2[O-])CCCC1 ZINC001358585484 1335408759 /nfs/dbraw/zinc/40/87/59/1335408759.db2.gz IKCUGOPHHRLNEZ-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001397240384 1359777979 /nfs/dbraw/zinc/77/79/79/1359777979.db2.gz DKYFDKPEZPPQSQ-TXEJJXNPSA-N -1 3 336.819 2.548 10 30 EFEEHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OCC)C1CCCCCC1 ZINC001463977880 1396535432 /nfs/dbraw/zinc/53/54/32/1396535432.db2.gz RANHKGNADQJIOB-HNNXBMFYSA-N -1 3 331.478 2.774 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)[n-]n1 ZINC001434384722 1387135547 /nfs/dbraw/zinc/13/55/47/1387135547.db2.gz FVIGQAKTXXUQBY-UHFFFAOYSA-N -1 3 344.396 2.577 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)CSc2ccc(C#N)cc2)n[n-]1 ZINC001434384722 1387135549 /nfs/dbraw/zinc/13/55/49/1387135549.db2.gz FVIGQAKTXXUQBY-UHFFFAOYSA-N -1 3 344.396 2.577 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnn1C1CCC1 ZINC001439925354 1389355671 /nfs/dbraw/zinc/35/56/71/1389355671.db2.gz XMORJPDSURHYTG-UHFFFAOYSA-N -1 3 339.399 2.769 10 30 EFEEHM CC(C)(C)c1ccc(C(F)(F)C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001450274218 1392556365 /nfs/dbraw/zinc/55/63/65/1392556365.db2.gz VZMPTVWFEMGZBH-ZDUSSCGKSA-N -1 3 340.370 2.572 10 30 EFEEHM CCC(CC)Nc1ccncc1NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001450353984 1392581175 /nfs/dbraw/zinc/58/11/75/1392581175.db2.gz CVCMKXRPCJUTQO-UHFFFAOYSA-N -1 3 339.399 2.637 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC001454684520 1393089522 /nfs/dbraw/zinc/08/95/22/1393089522.db2.gz XHVLZCQEBQICMI-UHFFFAOYSA-N -1 3 329.287 2.648 10 30 EFEEHM C=C(C)C[C@@H](CO)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001455197685 1394578246 /nfs/dbraw/zinc/57/82/46/1394578246.db2.gz CLNCPUADRLIRDR-JTQLQIEISA-N -1 3 341.433 2.547 10 30 EFEEHM C=CCC[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001456718044 1394779551 /nfs/dbraw/zinc/77/95/51/1394779551.db2.gz GEWQUCLLYSBMMV-OAHLLOKOSA-N -1 3 330.428 2.778 10 30 EFEEHM CC(C)C[C@H](C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458002089 1395395028 /nfs/dbraw/zinc/39/50/28/1395395028.db2.gz KNKBCBNUEHPYHU-AWEZNQCLSA-N -1 3 346.427 2.963 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nnn(-c2ccc(OC)cc2)c1C ZINC001458011772 1395396195 /nfs/dbraw/zinc/39/61/95/1395396195.db2.gz QAEUILWSCURASJ-UHFFFAOYSA-N -1 3 332.404 2.996 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 ZINC001458012889 1395396649 /nfs/dbraw/zinc/39/66/49/1395396649.db2.gz YPDDFRTUNAFPLU-AWEZNQCLSA-N -1 3 334.416 2.846 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCC(C)(C)C1CC1)C(=O)OCC ZINC001464387804 1396570927 /nfs/dbraw/zinc/57/09/27/1396570927.db2.gz YHSBCIRKGPMKIG-CQSZACIVSA-N -1 3 331.478 2.630 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(CSc2ccccc2)cc1 ZINC001468376526 1396951360 /nfs/dbraw/zinc/95/13/60/1396951360.db2.gz ZATLGHMMNKNTGM-MRXNPFEDSA-N -1 3 342.420 2.699 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)/C=C/c1ccc(I)o1 ZINC001469732979 1397052153 /nfs/dbraw/zinc/05/21/53/1397052153.db2.gz MTOVYRBMFOTGNO-IVGLGHLBSA-N -1 3 333.125 2.520 10 30 EFEEHM C=CCc1ccc(OCC(=O)NCc2c([O-])cccc2F)c(OC)c1 ZINC001471974794 1397229525 /nfs/dbraw/zinc/22/95/25/1397229525.db2.gz KJYOZRALNOHQBZ-UHFFFAOYSA-N -1 3 345.370 2.964 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001497205020 1401217714 /nfs/dbraw/zinc/21/77/14/1401217714.db2.gz XAIFQEPITBOENZ-LJQANCHMSA-N -1 3 332.444 2.963 10 30 EFEEHM CC(C)C#CC(=O)NCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001500588734 1403229194 /nfs/dbraw/zinc/22/91/94/1403229194.db2.gz LVBFKGHHEVXWNX-INIZCTEOSA-N -1 3 342.439 2.553 10 30 EFEEHM C#CCC1(C(=O)NC[C@@H](C)NC(=O)c2ccccc2[O-])CCCCC1 ZINC001502026461 1403958002 /nfs/dbraw/zinc/95/80/02/1403958002.db2.gz GREFTRCTKBOYOZ-OAHLLOKOSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001509758654 1408102572 /nfs/dbraw/zinc/10/25/72/1408102572.db2.gz VGISZMQZZQHSCV-UONOGXRCSA-N -1 3 330.428 2.762 10 30 EFEEHM C=C1CCC(CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])CC1 ZINC001558261037 1415168722 /nfs/dbraw/zinc/16/87/22/1415168722.db2.gz UIQJTMUMYDQNJF-UHFFFAOYSA-N -1 3 330.428 2.683 10 30 EFEEHM C=CCCOCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001558792992 1415202658 /nfs/dbraw/zinc/20/26/58/1415202658.db2.gz IOTMUHOKGFCYNG-UHFFFAOYSA-N -1 3 332.429 2.937 10 30 EFEEHM COc1c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cnn1C ZINC001559030803 1415219815 /nfs/dbraw/zinc/21/98/15/1415219815.db2.gz HREISATUOPINAV-UHFFFAOYSA-N -1 3 330.171 2.767 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC001559034999 1415219508 /nfs/dbraw/zinc/21/95/08/1415219508.db2.gz YCMQGBZXZDGKKR-HNNXBMFYSA-N -1 3 325.453 2.712 10 30 EFEEHM O=C(c1ccc2c(n1)OCCO2)N([O-])CCCCc1ccccc1 ZINC001559034191 1415219777 /nfs/dbraw/zinc/21/97/77/1415219777.db2.gz QAQMZVHGXTYJJY-UHFFFAOYSA-N -1 3 328.368 2.707 10 30 EFEEHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)ccc1N1CCNC1=O ZINC001559037145 1415220009 /nfs/dbraw/zinc/22/00/09/1415220009.db2.gz KXJFXQAVRPCEQR-UHFFFAOYSA-N -1 3 343.358 2.695 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(C)(C)C ZINC001561617635 1415320152 /nfs/dbraw/zinc/32/01/52/1415320152.db2.gz QLBHNVUZTODWFN-SNVBAGLBSA-N -1 3 336.276 2.837 10 30 EFEEHM C#CC1([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCCC1 ZINC001561866464 1415327775 /nfs/dbraw/zinc/32/77/75/1415327775.db2.gz IVAUTODWJRHCJE-UHFFFAOYSA-N -1 3 341.845 2.569 10 30 EFEEHM C#CCOc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC001564135397 1415373109 /nfs/dbraw/zinc/37/31/09/1415373109.db2.gz AQUHJOVDVXHLQP-UHFFFAOYSA-N -1 3 328.343 2.543 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nc2cc(F)ccc2[nH]1 ZINC001566028522 1415486556 /nfs/dbraw/zinc/48/65/56/1415486556.db2.gz WLDADGCWOSMEPG-UHFFFAOYSA-N -1 3 344.296 2.982 10 30 EFEEHM N#CC1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCSCC1 ZINC001566431589 1415546418 /nfs/dbraw/zinc/54/64/18/1415546418.db2.gz QYIGINUKSPJCDY-UHFFFAOYSA-N -1 3 347.827 2.701 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001645928565 1416585645 /nfs/dbraw/zinc/58/56/45/1416585645.db2.gz IHMWLPRHUBAMFD-DVVUODLYSA-N -1 3 346.786 2.924 10 30 EFEEHM C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001686083586 1416787977 /nfs/dbraw/zinc/78/79/77/1416787977.db2.gz IMFOZMHOIJRHGO-KBMXLJTQSA-N -1 3 328.412 2.610 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001687655823 1416851369 /nfs/dbraw/zinc/85/13/69/1416851369.db2.gz CDXLQFHAEOFPOM-WBVHZDCISA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001688557764 1416987859 /nfs/dbraw/zinc/98/78/59/1416987859.db2.gz IZNJWGHRSVYDIE-INIZCTEOSA-N -1 3 342.439 2.506 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001688566399 1416991079 /nfs/dbraw/zinc/99/10/79/1416991079.db2.gz PPQHWJRJKNZVHJ-OAHLLOKOSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001702889295 1417778261 /nfs/dbraw/zinc/77/82/61/1417778261.db2.gz GDRGHUKVIZOCAI-JHNDHUHGSA-N -1 3 342.439 2.856 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001704322211 1417906860 /nfs/dbraw/zinc/90/68/60/1417906860.db2.gz ACRMPSQDROQZSQ-CABCVRRESA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001704392018 1417922542 /nfs/dbraw/zinc/92/25/42/1417922542.db2.gz FKZUAJYRLCMLCL-UHFFFAOYSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C1CC(C)(C(=O)NCC2(NC(=O)c3ccccc3[O-])CCCC2)C1 ZINC001704689720 1418059423 /nfs/dbraw/zinc/05/94/23/1418059423.db2.gz FCOUXKYTIVSQDZ-UHFFFAOYSA-N -1 3 342.439 2.907 10 30 EFEEHM C=C1CCC(C(=O)N(C)[C@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001718139442 1422103955 /nfs/dbraw/zinc/10/39/55/1422103955.db2.gz WMXKXOVYYIIOCK-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N[C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001718225049 1422143521 /nfs/dbraw/zinc/14/35/21/1422143521.db2.gz MZOAUIFTHXXRMU-MRXNPFEDSA-N -1 3 332.444 2.961 10 30 EFEEHM C=C[C@H](CC)CC(=O)N[C@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001718286235 1422181689 /nfs/dbraw/zinc/18/16/89/1422181689.db2.gz UVAVSNGZNSBKCM-ZIAGYGMSSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1CC ZINC001719546850 1422752159 /nfs/dbraw/zinc/75/21/59/1422752159.db2.gz XTXPKLFKROEOPU-JKSUJKDBSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001720399751 1422911975 /nfs/dbraw/zinc/91/19/75/1422911975.db2.gz JFWIBIUTWHJRLS-UHFFFAOYSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001722198576 1424256208 /nfs/dbraw/zinc/25/62/08/1424256208.db2.gz FNHBPPNWBUDDGA-LJQANCHMSA-N -1 3 330.428 2.715 10 30 EFEEHM CCCCCCCN1CC(N(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001723771574 1424577503 /nfs/dbraw/zinc/57/75/03/1424577503.db2.gz YTNXSBVILBKHCA-UHFFFAOYSA-N -1 3 346.475 2.786 10 30 EFEEHM C=CCC(CC=C)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001725860001 1425924249 /nfs/dbraw/zinc/92/42/49/1425924249.db2.gz AGOKEESXEMDIOB-UHFFFAOYSA-N -1 3 342.439 2.785 10 30 EFEEHM C=CCC(CC=C)C(=O)N(C)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001725950408 1425991154 /nfs/dbraw/zinc/99/11/54/1425991154.db2.gz GFMJNQIFYWKQDY-CQSZACIVSA-N -1 3 330.428 2.737 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001726200647 1426153339 /nfs/dbraw/zinc/15/33/39/1426153339.db2.gz ZLCBWDJOENMCGW-ARFHVFGLSA-N -1 3 342.439 2.715 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCc1ccoc1 ZINC000893338411 720778457 /nfs/dbraw/zinc/77/84/57/720778457.db2.gz OTYGTODTDHOEHG-UHFFFAOYSA-N -1 3 328.368 2.977 10 30 EFEEHM N#CC[C@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000928803727 724748354 /nfs/dbraw/zinc/74/83/54/724748354.db2.gz AQRZUMKSKKORDS-LURJTMIESA-N -1 3 342.186 2.551 10 30 EFEEHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccoc1 ZINC000727254104 723874816 /nfs/dbraw/zinc/87/48/16/723874816.db2.gz OURDUNGZJBZEFH-ZDUSSCGKSA-N -1 3 328.353 2.555 10 30 EFEEHM C=C(C)C[C@H](NC(=O)NC[C@@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751459 727256683 /nfs/dbraw/zinc/25/66/83/727256683.db2.gz MCSHUGVAQUZRCG-IRXDYDNUSA-N -1 3 345.443 2.542 10 30 EFEEHM C=CCCC[C@@H](NC(=O)NC[C@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908860216 727277072 /nfs/dbraw/zinc/27/70/72/727277072.db2.gz YMHRXWXEGMATFF-IAGOWNOFSA-N -1 3 347.459 2.706 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1cnc(Br)c(C)c1 ZINC000917209400 727783286 /nfs/dbraw/zinc/78/32/86/727783286.db2.gz FRNRXGVANZJQEZ-UHFFFAOYSA-N -1 3 341.234 2.928 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(C(F)F)on2)CCCCC1 ZINC000921336263 729291485 /nfs/dbraw/zinc/29/14/85/729291485.db2.gz HZHIDDWYAMKTIM-UHFFFAOYSA-N -1 3 333.360 2.506 10 30 EFEEHM C#CCCCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001572407618 1087459487 /nfs/dbraw/zinc/45/94/87/1087459487.db2.gz ZOFFDLWUKYXBRN-HOTGVXAUSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001573075158 1087671289 /nfs/dbraw/zinc/67/12/89/1087671289.db2.gz DSKMXDKCHNKVQC-HZPDHXFCSA-N -1 3 330.428 2.906 10 30 EFEEHM C=CC(C)(C)CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001574396469 1087993333 /nfs/dbraw/zinc/99/33/33/1087993333.db2.gz CPGYZTQPUYZSJQ-BMFZPTHFSA-N -1 3 342.439 2.856 10 30 EFEEHM C#CCCCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001578910270 1090472317 /nfs/dbraw/zinc/47/23/17/1090472317.db2.gz DGKZYVGVYAAJDN-MRXNPFEDSA-N -1 3 342.439 2.554 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001581351591 1091124357 /nfs/dbraw/zinc/12/43/57/1091124357.db2.gz PTHDZFSZQVEMSE-HUUCEWRRSA-N -1 3 332.444 2.819 10 30 EFEEHM C=CCC1(C(=O)N(CCNC(=O)c2ccccc2[O-])C2CC2)CCC1 ZINC001581437824 1091148419 /nfs/dbraw/zinc/14/84/19/1091148419.db2.gz MUZVOWBKRYRTMW-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001581521655 1091174569 /nfs/dbraw/zinc/17/45/69/1091174569.db2.gz BQYOIHBJTWSJKI-LJQANCHMSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001582965816 1091835425 /nfs/dbraw/zinc/83/54/25/1091835425.db2.gz BMOQNOSYVMTFQN-HIFRSBDPSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001584912074 1092325078 /nfs/dbraw/zinc/32/50/78/1092325078.db2.gz XIDMJWSECUNPLN-UHFFFAOYSA-N -1 3 340.339 2.890 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001649901665 1092775930 /nfs/dbraw/zinc/77/59/30/1092775930.db2.gz AOKMXLVOLXVQNM-BYCMXARLSA-N -1 3 349.381 2.758 10 30 EFEEHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccncn1 ZINC000588538950 1093000320 /nfs/dbraw/zinc/00/03/20/1093000320.db2.gz COSUORORHDEKBQ-IDTUSYRASA-N -1 3 330.347 2.871 10 30 EFEEHM CCC[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC001651221125 1093540779 /nfs/dbraw/zinc/54/07/79/1093540779.db2.gz ORIDIHRDGBYWLH-CQSZACIVSA-N -1 3 346.427 2.963 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625916249 1095256351 /nfs/dbraw/zinc/25/63/51/1095256351.db2.gz JSXSUNAQUGVXSX-HNNXBMFYSA-N -1 3 344.419 2.700 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625916249 1095256362 /nfs/dbraw/zinc/25/63/62/1095256362.db2.gz JSXSUNAQUGVXSX-HNNXBMFYSA-N -1 3 344.419 2.700 10 30 EFEEHM COC(=O)c1cc(NC(=O)c2ccc(C)c(C#N)c2)c([O-])c(OC)c1 ZINC001603059324 1096426477 /nfs/dbraw/zinc/42/64/77/1096426477.db2.gz UWTSTVWDMABXEL-UHFFFAOYSA-N -1 3 340.335 2.620 10 30 EFEEHM Cc1nsc([N-]C(=O)c2cn(-c3ccc(F)cc3C)nn2)c1C#N ZINC001270191924 1098784191 /nfs/dbraw/zinc/78/41/91/1098784191.db2.gz RISANZGKHJXBBC-UHFFFAOYSA-N -1 3 342.359 2.604 10 30 EFEEHM C[C@H](C(=O)N([O-])CCCCc1ccccc1)n1nnnc1C(C)(C)C ZINC001611653069 1099025810 /nfs/dbraw/zinc/02/58/10/1099025810.db2.gz BRHMQYXFBUZYQQ-CQSZACIVSA-N -1 3 345.447 2.772 10 30 EFEEHM O=C(CC1=CCCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611649090 1099026219 /nfs/dbraw/zinc/02/62/19/1099026219.db2.gz VLHUFEBPOAPARP-UHFFFAOYSA-N -1 3 342.395 2.781 10 30 EFEEHM O=C(C[C@H]1CC=CCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611650580 1099026496 /nfs/dbraw/zinc/02/64/96/1099026496.db2.gz CFCYJBMXYWECMG-AWEZNQCLSA-N -1 3 342.395 2.637 10 30 EFEEHM CCCCN([O-])C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC001611657950 1099026834 /nfs/dbraw/zinc/02/68/34/1099026834.db2.gz OEYVWSOJVAUKIP-UHFFFAOYSA-N -1 3 334.275 2.836 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001622539973 1099522585 /nfs/dbraw/zinc/52/25/85/1099522585.db2.gz YYAQRCRQAIZKJL-UHFFFAOYSA-N -1 3 328.365 2.759 10 30 EFEEHM N#C[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC001624138001 1099663398 /nfs/dbraw/zinc/66/33/98/1099663398.db2.gz ULVYKYVAKKZCRV-GFCCVEGCSA-N -1 3 347.168 2.855 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC001624297569 1099680706 /nfs/dbraw/zinc/68/07/06/1099680706.db2.gz NQRMVCNRIBQBJG-UHFFFAOYSA-N -1 3 335.363 2.661 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001634216405 1100591273 /nfs/dbraw/zinc/59/12/73/1100591273.db2.gz XBTZGZMZVGXAQK-DIFFPNOSSA-N -1 3 346.814 2.893 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(Cl)(Cl)C1 ZINC001635819984 1100682162 /nfs/dbraw/zinc/68/21/62/1100682162.db2.gz RSGVZNLFCSOVSU-UHFFFAOYSA-N -1 3 342.226 2.661 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001636352765 1100715016 /nfs/dbraw/zinc/71/50/16/1100715016.db2.gz LQCUNTCYVRWGAK-HZPDHXFCSA-N -1 3 344.798 2.578 10 30 EFEEHM CCCCCCCC[C@@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001637257499 1100768368 /nfs/dbraw/zinc/76/83/68/1100768368.db2.gz QBRJFERPCJMUFI-ZDUSSCGKSA-N -1 3 337.416 2.962 10 30 EFEEHM O=C(Nc1cc(Br)ccc1[O-])c1cccc(C#CCO)c1 ZINC001637893769 1100815280 /nfs/dbraw/zinc/81/52/80/1100815280.db2.gz SIRDNLGQIUADEU-UHFFFAOYSA-N -1 3 346.180 2.751 10 30 EFEEHM CC(C)(C#N)CC(=O)Nc1ccc(I)cc1[O-] ZINC001638415667 1100857816 /nfs/dbraw/zinc/85/78/16/1100857816.db2.gz LASNRMASGYGNKM-UHFFFAOYSA-N -1 3 344.152 2.875 10 30 EFEEHM C[C@H]1CC[C@H](CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1 ZINC001639050173 1100908956 /nfs/dbraw/zinc/90/89/56/1100908956.db2.gz RFOUMJKEZHMERU-KBPBESRZSA-N -1 3 344.411 2.717 10 30 EFEEHM O=C(c1nc[nH]c1C(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC001639079118 1100911318 /nfs/dbraw/zinc/91/13/18/1100911318.db2.gz ZTUXYRDXWZJCAG-UHFFFAOYSA-N -1 3 339.326 2.811 10 30 EFEEHM C=C1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC001640307398 1101033247 /nfs/dbraw/zinc/03/32/47/1101033247.db2.gz SHYYIPOZWYHGIP-UHFFFAOYSA-N -1 3 346.383 2.639 10 30 EFEEHM Cc1c2cc(C)c(C)cc2sc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001641520750 1101143264 /nfs/dbraw/zinc/14/32/64/1101143264.db2.gz GDRPIFJDKXDRPH-CYBMUJFWSA-N -1 3 332.425 2.937 10 30 EFEEHM O=C(c1cccc2c1NC(=O)CO2)N([O-])Cc1ccccc1Cl ZINC001641862065 1101170168 /nfs/dbraw/zinc/17/01/68/1101170168.db2.gz QUVASKUKOUAHBC-UHFFFAOYSA-N -1 3 332.743 2.703 10 30 EFEEHM CCCCN([O-])C(=O)COc1cccc(I)c1 ZINC001641870421 1101171316 /nfs/dbraw/zinc/17/13/16/1101171316.db2.gz JJBGORUTCXQDIN-UHFFFAOYSA-N -1 3 349.168 2.688 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001670573555 1101349623 /nfs/dbraw/zinc/34/96/23/1101349623.db2.gz XEUVLKGBAIVBJE-UHFFFAOYSA-N -1 3 329.809 2.899 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1c[n-]c(C(=O)OC)c1)c1ccccc1 ZINC001653396190 1101616720 /nfs/dbraw/zinc/61/67/20/1101616720.db2.gz AENMJGZOBNVCTL-QHCPKHFHSA-N -1 3 332.381 2.655 10 30 EFEEHM C=CCC[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OCC ZINC001655358130 1101816753 /nfs/dbraw/zinc/81/67/53/1101816753.db2.gz AVWBXEPPIMCVEK-CQSZACIVSA-N -1 3 331.478 2.774 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H](Cc3ccccc3)C1)cc2=O ZINC001167331888 1102655636 /nfs/dbraw/zinc/65/56/36/1102655636.db2.gz CGNHRZFHFNSVAP-INIZCTEOSA-N -1 3 347.422 2.761 10 30 EFEEHM C=CCCCC[N-]S(=O)(=O)c1ccc(C(=O)OCC)cc1F ZINC001661571671 1103323300 /nfs/dbraw/zinc/32/33/00/1103323300.db2.gz ZVLDYSZOIXBFPS-UHFFFAOYSA-N -1 3 329.393 2.637 10 30 EFEEHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000906062137 1103871271 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COC(=O)CC1CC(/N=C\c2cc(Br)ccc2[O-])C1 ZINC000905003235 1108320052 /nfs/dbraw/zinc/32/00/52/1108320052.db2.gz WJEZABIJRJYPOS-PXNMLYILSA-N -1 3 326.190 2.915 10 30 EFEEHM CCCCCCCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899499618 1109356548 /nfs/dbraw/zinc/35/65/48/1109356548.db2.gz AMLLLSCPLKAJEB-UHFFFAOYSA-N -1 3 334.464 2.890 10 30 EFEEHM N#Cc1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000025375792 202131484 /nfs/dbraw/zinc/13/14/84/202131484.db2.gz QVUYHEAYVTUDJQ-RYUDHWBXSA-N -1 3 332.347 2.958 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(F)cc1 ZINC000078957556 201199741 /nfs/dbraw/zinc/19/97/41/201199741.db2.gz FZPIIOKNRFPHCL-UHFFFAOYSA-N -1 3 341.386 2.594 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000279821162 201321819 /nfs/dbraw/zinc/32/18/19/201321819.db2.gz QNFFBUKJJHUWNG-UHFFFAOYSA-N -1 3 349.206 2.602 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178870584 239444340 /nfs/dbraw/zinc/44/43/40/239444340.db2.gz RGIJROSTRAQDLU-UHFFFAOYSA-N -1 3 335.816 2.518 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000295876440 241063971 /nfs/dbraw/zinc/06/39/71/241063971.db2.gz ZEFMOQDUQKOGGG-IUCAKERBSA-N -1 3 349.275 2.871 10 30 EFEEHM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1ccncn1 ZINC000354473888 242002001 /nfs/dbraw/zinc/00/20/01/242002001.db2.gz WPZPENRBDOCXQX-AWEZNQCLSA-N -1 3 331.335 2.894 10 30 EFEEHM CCN(C[C@H](C)C#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000357272923 242093706 /nfs/dbraw/zinc/09/37/06/242093706.db2.gz NFMSFHWREKYXGG-SNVBAGLBSA-N -1 3 325.206 2.705 10 30 EFEEHM CC(C)(Cc1ccc(C#N)cc1)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000412301141 243255686 /nfs/dbraw/zinc/25/56/86/243255686.db2.gz SMEZFQPNNQKTPN-INIZCTEOSA-N -1 3 338.411 2.762 10 30 EFEEHM Cc1cccc(-c2nnc(NC(=O)c3ccc(C#N)cc3)[n-]2)c1[N+](=O)[O-] ZINC000069780413 203050212 /nfs/dbraw/zinc/05/02/12/203050212.db2.gz MJKBSWMNNMLINK-UHFFFAOYSA-N -1 3 348.322 2.812 10 30 EFEEHM Cc1cccc(-c2nc(NC(=O)c3ccc(C#N)cc3)n[n-]2)c1[N+](=O)[O-] ZINC000069780413 203050215 /nfs/dbraw/zinc/05/02/15/203050215.db2.gz MJKBSWMNNMLINK-UHFFFAOYSA-N -1 3 348.322 2.812 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nc(C)cs1 ZINC000104759850 204118287 /nfs/dbraw/zinc/11/82/87/204118287.db2.gz KLIPBJYAVBYHND-CYBMUJFWSA-N -1 3 339.417 2.892 10 30 EFEEHM N#Cc1ccc(OC2CCN(C(=O)c3ccc(O)cc3[O-])CC2)cc1 ZINC000264035998 246000291 /nfs/dbraw/zinc/00/02/91/246000291.db2.gz OXGNLQYBCICGGZ-UHFFFAOYSA-N -1 3 338.363 2.653 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000435438696 248242121 /nfs/dbraw/zinc/24/21/21/248242121.db2.gz PNCNJXXAZUVMNX-DLBZAZTESA-N -1 3 349.415 2.941 10 30 EFEEHM N#C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000443147948 250164990 /nfs/dbraw/zinc/16/49/90/250164990.db2.gz SSCMESDIVBWLCI-GFCCVEGCSA-N -1 3 347.362 2.851 10 30 EFEEHM CC(C)N(CCN1CCCCCC1)C(=O)c1ccc(C#N)c([O-])c1 ZINC000345902432 142115251 /nfs/dbraw/zinc/11/52/51/142115251.db2.gz IFTXXHZAQASVDR-UHFFFAOYSA-N -1 3 329.444 2.990 10 30 EFEEHM CCCc1ccc(-c2cc(=NC(=O)c3ccnc(C#N)c3)[nH][n-]2)cc1 ZINC000359278638 148044407 /nfs/dbraw/zinc/04/44/07/148044407.db2.gz YQXPMHWWTPHHFA-UHFFFAOYSA-N -1 3 331.379 2.970 10 30 EFEEHM Cc1ccc([O-])c(CNc2ccn(-c3ccc(C#N)cc3Cl)n2)n1 ZINC000359946253 148231463 /nfs/dbraw/zinc/23/14/63/148231463.db2.gz IZRPEDUSNKJSTN-UHFFFAOYSA-N -1 3 339.786 2.840 10 30 EFEEHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)CCC2 ZINC000373821844 151231596 /nfs/dbraw/zinc/23/15/96/151231596.db2.gz FBFSKBGUBGWADX-LLVKDONJSA-N -1 3 339.467 2.741 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000529995040 270035394 /nfs/dbraw/zinc/03/53/94/270035394.db2.gz SGESEIONQSDCKB-GOEBONIOSA-N -1 3 341.436 2.942 10 30 EFEEHM N#Cc1cccnc1-n1cc([N-]c2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000302131478 268287092 /nfs/dbraw/zinc/28/70/92/268287092.db2.gz BKPXAQXCQJHQME-UHFFFAOYSA-N -1 3 341.718 2.839 10 30 EFEEHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1snc(C)c1C#N ZINC000362394056 278071611 /nfs/dbraw/zinc/07/16/11/278071611.db2.gz AEJIUNHFKXHXOV-UHFFFAOYSA-N -1 3 339.380 2.770 10 30 EFEEHM N#Cc1ccccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000025375789 303208319 /nfs/dbraw/zinc/20/83/19/303208319.db2.gz QVUYHEAYVTUDJQ-NEPJUHHUSA-N -1 3 332.347 2.958 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c(C(F)(F)F)c1 ZINC000568584603 319296628 /nfs/dbraw/zinc/29/66/28/319296628.db2.gz QBFHUZUAMAPWSM-CMPLNLGQSA-N -1 3 330.331 2.654 10 30 EFEEHM Cc1ccc(C2([N-]S(=O)(=O)c3cccnc3C#N)CCC2)cc1 ZINC000592108650 478780134 /nfs/dbraw/zinc/78/01/34/478780134.db2.gz RRHAHLHDMMHBIP-UHFFFAOYSA-N -1 3 327.409 2.619 10 30 EFEEHM CC1(C(=O)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000625547796 479964554 /nfs/dbraw/zinc/96/45/54/479964554.db2.gz XYWYMHHLQYCYMG-UHFFFAOYSA-N -1 3 340.832 2.639 10 30 EFEEHM COC(=O)c1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)ccc1[O-] ZINC000067820520 472094052 /nfs/dbraw/zinc/09/40/52/472094052.db2.gz ZSSGLNAULHSLJP-UHFFFAOYSA-N -1 3 348.362 2.700 10 30 EFEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043755461 472260454 /nfs/dbraw/zinc/26/04/54/472260454.db2.gz CBWPAUOWUDVIRK-ZETCQYMHSA-N -1 3 325.250 2.751 10 30 EFEEHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043755461 472260457 /nfs/dbraw/zinc/26/04/57/472260457.db2.gz CBWPAUOWUDVIRK-ZETCQYMHSA-N -1 3 325.250 2.751 10 30 EFEEHM O=C(CNC(=O)c1ccsc1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687414 472384736 /nfs/dbraw/zinc/38/47/36/472384736.db2.gz PSRKCLWIUKUVBA-UHFFFAOYSA-N -1 3 345.359 2.690 10 30 EFEEHM CC[C@H]1CCCCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000155674252 472593373 /nfs/dbraw/zinc/59/33/73/472593373.db2.gz HWJBLLQCHHSDRG-HNNXBMFYSA-N -1 3 329.444 2.977 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc3c2N=S=N3)c(F)c1 ZINC000103912563 472649103 /nfs/dbraw/zinc/64/91/03/472649103.db2.gz DVVFXTDYRIRXBI-UHFFFAOYSA-N -1 3 348.384 2.902 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000110451908 473158808 /nfs/dbraw/zinc/15/88/08/473158808.db2.gz VOLNBPHCOJFMLG-SJLPKXTDSA-N -1 3 349.434 2.716 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1COc2ccccc21 ZINC000167573461 473537463 /nfs/dbraw/zinc/53/74/63/473537463.db2.gz RHKOPKZQIYQPBT-RISCZKNCSA-N -1 3 346.383 2.540 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H]1COc2ccccc21 ZINC000167573566 473538096 /nfs/dbraw/zinc/53/80/96/473538096.db2.gz RHKOPKZQIYQPBT-SMDDNHRTSA-N -1 3 346.383 2.540 10 30 EFEEHM C#CCN(Cc1ccc(C)cc1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000170691616 473589285 /nfs/dbraw/zinc/58/92/85/473589285.db2.gz IYPUOFQBZOJAKH-UHFFFAOYSA-N -1 3 336.391 2.935 10 30 EFEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000186657952 473715786 /nfs/dbraw/zinc/71/57/86/473715786.db2.gz PJZMONDMKNYKOD-LLVKDONJSA-N -1 3 331.846 2.770 10 30 EFEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000186657937 473716548 /nfs/dbraw/zinc/71/65/48/473716548.db2.gz PJZMONDMKNYKOD-NSHDSACASA-N -1 3 331.846 2.770 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000617037273 480076940 /nfs/dbraw/zinc/07/69/40/480076940.db2.gz KKJPLPXQCQZCFP-CZUORRHYSA-N -1 3 336.457 2.923 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)n[n-]1 ZINC000181901280 474069589 /nfs/dbraw/zinc/06/95/89/474069589.db2.gz KTOPHIHABFKJEG-UHFFFAOYSA-N -1 3 332.367 2.618 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)[n-]n1 ZINC000181901280 474069595 /nfs/dbraw/zinc/06/95/95/474069595.db2.gz KTOPHIHABFKJEG-UHFFFAOYSA-N -1 3 332.367 2.618 10 30 EFEEHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000188375873 474074950 /nfs/dbraw/zinc/07/49/50/474074950.db2.gz CGAWYCOCMCBPLJ-IBGZPJMESA-N -1 3 341.411 2.913 10 30 EFEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000282544979 474105822 /nfs/dbraw/zinc/10/58/22/474105822.db2.gz NJOSQRSCGURITP-UHFFFAOYSA-N -1 3 332.347 2.712 10 30 EFEEHM C#Cc1cccc(N(C)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000182354605 474156508 /nfs/dbraw/zinc/15/65/08/474156508.db2.gz ATDACDSRGUDYAJ-SFHVURJKSA-N -1 3 348.402 2.641 10 30 EFEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC000282690695 474156714 /nfs/dbraw/zinc/15/67/14/474156714.db2.gz XGPWILRIOSGXTE-UHFFFAOYSA-N -1 3 348.255 2.997 10 30 EFEEHM C#Cc1cccc(N(C)C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000182354627 474156739 /nfs/dbraw/zinc/15/67/39/474156739.db2.gz ATDACDSRGUDYAJ-GOSISDBHSA-N -1 3 348.402 2.641 10 30 EFEEHM O=[N+]([O-])c1cccc(C=N[N-]c2nnc3c4ccccc4[nH]c3n2)c1 ZINC000252619927 474701831 /nfs/dbraw/zinc/70/18/31/474701831.db2.gz LUNSQZTVVZYEFN-UHFFFAOYSA-N -1 3 333.311 2.860 10 30 EFEEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000339005900 474825549 /nfs/dbraw/zinc/82/55/49/474825549.db2.gz GOUASYDCPNLRIC-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)C(F)(F)F)cc1 ZINC000339032579 474858609 /nfs/dbraw/zinc/85/86/09/474858609.db2.gz HOVFQWDCHCZHJX-JTQLQIEISA-N -1 3 347.343 2.597 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000286081449 475051423 /nfs/dbraw/zinc/05/14/23/475051423.db2.gz AFZOIAVPIUXPPI-INIZCTEOSA-N -1 3 339.391 2.774 10 30 EFEEHM CCOC(=O)[C@@H](CCOC)/N=C/c1cc(Br)ccc1[O-] ZINC000281046927 475066770 /nfs/dbraw/zinc/06/67/70/475066770.db2.gz QCWGZCWTNOVFQF-GFQQVXNGSA-N -1 3 344.205 2.542 10 30 EFEEHM C[N-]S(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[C@H](C)C2)cn1 ZINC000331008995 475301201 /nfs/dbraw/zinc/30/12/01/475301201.db2.gz MPJLQSOLHSXFDH-STQMWFEESA-N -1 3 339.461 2.511 10 30 EFEEHM N#Cc1ccc(OCc2ccc(C(=O)NCc3ncccc3[O-])o2)cc1 ZINC000352506595 475361394 /nfs/dbraw/zinc/36/13/94/475361394.db2.gz HLCGLKJEVXHMEQ-UHFFFAOYSA-N -1 3 349.346 2.761 10 30 EFEEHM COc1nnc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[n-]1 ZINC000352680283 475523381 /nfs/dbraw/zinc/52/33/81/475523381.db2.gz GNPNZJVEUPVUIV-UHFFFAOYSA-N -1 3 349.350 2.924 10 30 EFEEHM COc1nc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n[n-]1 ZINC000352680283 475523389 /nfs/dbraw/zinc/52/33/89/475523389.db2.gz GNPNZJVEUPVUIV-UHFFFAOYSA-N -1 3 349.350 2.924 10 30 EFEEHM COc1n[n-]c(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)n1 ZINC000352680283 475523397 /nfs/dbraw/zinc/52/33/97/475523397.db2.gz GNPNZJVEUPVUIV-UHFFFAOYSA-N -1 3 349.350 2.924 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCc1nccs1 ZINC000352728923 475570595 /nfs/dbraw/zinc/57/05/95/475570595.db2.gz YYEVWQQADAMYFC-UHFFFAOYSA-N -1 3 341.845 2.579 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2nccs2)c1 ZINC000352732720 475574479 /nfs/dbraw/zinc/57/44/79/475574479.db2.gz FZPMOWQDJPZDRA-UHFFFAOYSA-N -1 3 341.845 2.579 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cccc2Cl)CCCC1 ZINC000352884843 475663336 /nfs/dbraw/zinc/66/33/36/475663336.db2.gz RXZJRQVCTPKHMO-UHFFFAOYSA-N -1 3 330.812 2.982 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2nc(C3CC3)cs2)CCCC1 ZINC000352893374 475663358 /nfs/dbraw/zinc/66/33/58/475663358.db2.gz LNFKUUHXPOKBLW-UHFFFAOYSA-N -1 3 325.459 2.524 10 30 EFEEHM Cc1nsc([N-]C(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)c1C#N ZINC000297419209 475749423 /nfs/dbraw/zinc/74/94/23/475749423.db2.gz MFRWOHLJCDVXNL-SECBINFHSA-N -1 3 332.389 2.584 10 30 EFEEHM COCCOc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1 ZINC000297468167 475768944 /nfs/dbraw/zinc/76/89/44/475768944.db2.gz QXQVUDUTHLFZCJ-UHFFFAOYSA-N -1 3 332.385 2.992 10 30 EFEEHM O=C(NCc1ncccc1[O-])Nc1cccc(C#Cc2ccccn2)c1 ZINC000348788395 475864987 /nfs/dbraw/zinc/86/49/87/475864987.db2.gz XFGBZJRCYRGIIZ-UHFFFAOYSA-N -1 3 344.374 2.904 10 30 EFEEHM CC(C)(C)c1csc(C[N-]S(=O)(=O)CC2(C#N)CCC2)n1 ZINC000349636626 475980944 /nfs/dbraw/zinc/98/09/44/475980944.db2.gz NABHDZCPUSIPLB-UHFFFAOYSA-N -1 3 327.475 2.554 10 30 EFEEHM COC(=O)c1cc([N-]C(=O)c2cscc2C#N)cc([N+](=O)[O-])c1 ZINC000340511431 476075131 /nfs/dbraw/zinc/07/51/31/476075131.db2.gz MSHJNYRVUFXPNB-UHFFFAOYSA-N -1 3 331.309 2.567 10 30 EFEEHM C[C@@H](C#N)CN(C(=O)Cc1ccc(Br)cc1[O-])C1CC1 ZINC000343663335 476098106 /nfs/dbraw/zinc/09/81/06/476098106.db2.gz IVFWCVJWKDQQPE-JTQLQIEISA-N -1 3 337.217 2.848 10 30 EFEEHM Cn1cc(C#N)cc1C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000362245011 476108357 /nfs/dbraw/zinc/10/83/57/476108357.db2.gz PNHFUIZLEABOHU-UHFFFAOYSA-N -1 3 332.323 2.680 10 30 EFEEHM Cn1cc(C#N)cc1C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000362245011 476108363 /nfs/dbraw/zinc/10/83/63/476108363.db2.gz PNHFUIZLEABOHU-UHFFFAOYSA-N -1 3 332.323 2.680 10 30 EFEEHM Cn1cc(C#N)cc1C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000362245011 476108368 /nfs/dbraw/zinc/10/83/68/476108368.db2.gz PNHFUIZLEABOHU-UHFFFAOYSA-N -1 3 332.323 2.680 10 30 EFEEHM COc1ccc2c(c1)CCC[C@]2(NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000336884824 476176511 /nfs/dbraw/zinc/17/65/11/476176511.db2.gz CHPQFXDISUUZNC-HXUWFJFHSA-N -1 3 336.391 2.973 10 30 EFEEHM CC(C)(C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1cc(F)cc(C#N)c1 ZINC000357458772 476396999 /nfs/dbraw/zinc/39/69/99/476396999.db2.gz SKMOERVOLHRSNL-OAHLLOKOSA-N -1 3 342.374 2.610 10 30 EFEEHM Cc1csc([C@H]([N-]S(=O)(=O)CC2(C#N)CCCC2)C2CC2)n1 ZINC000354080220 476411914 /nfs/dbraw/zinc/41/19/14/476411914.db2.gz QZTNMHNMETUMEA-CYBMUJFWSA-N -1 3 339.486 2.906 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000357526511 476432953 /nfs/dbraw/zinc/43/29/53/476432953.db2.gz JSIQGNVHKQJDCG-QGZVFWFLSA-N -1 3 348.399 2.504 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)c1 ZINC000352331680 476642086 /nfs/dbraw/zinc/64/20/86/476642086.db2.gz RICULTZFHCCJQN-UHFFFAOYSA-N -1 3 338.738 2.832 10 30 EFEEHM N#CCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000456753270 476724415 /nfs/dbraw/zinc/72/44/15/476724415.db2.gz PTFAQFVUTBFVCL-QGZVFWFLSA-N -1 3 349.390 2.702 10 30 EFEEHM C=C(C)CC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000386688874 476768428 /nfs/dbraw/zinc/76/84/28/476768428.db2.gz JZGUSSCBYZBZOV-UHFFFAOYSA-N -1 3 334.235 2.702 10 30 EFEEHM COC(=O)c1cncc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)c1 ZINC000447567791 477013317 /nfs/dbraw/zinc/01/33/17/477013317.db2.gz FFIZSKUURRFMGM-UHFFFAOYSA-N -1 3 348.318 2.647 10 30 EFEEHM CCn1cc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)nc1C ZINC000431624263 477063561 /nfs/dbraw/zinc/06/35/61/477063561.db2.gz VSDIDXSSCMJTSA-MRXNPFEDSA-N -1 3 346.456 2.925 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000447869795 477079583 /nfs/dbraw/zinc/07/95/83/477079583.db2.gz AHKLPIZFCSOMNI-UHFFFAOYSA-N -1 3 339.438 2.932 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCOC2)s1 ZINC000367104918 477346424 /nfs/dbraw/zinc/34/64/24/477346424.db2.gz BSMPZHVVRVCUPH-CZUORRHYSA-N -1 3 348.449 2.676 10 30 EFEEHM CCc1ccc([C@H](C#N)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436729687 477573106 /nfs/dbraw/zinc/57/31/06/477573106.db2.gz BJSQBXQBUJBKIQ-KRWDZBQOSA-N -1 3 337.379 2.908 10 30 EFEEHM Cc1[nH]c2ccc(C[N-]S(=O)(=O)c3cccnc3C#N)cc2c1C ZINC000428224261 477845843 /nfs/dbraw/zinc/84/58/43/477845843.db2.gz CDQIRTUZNBDNEA-UHFFFAOYSA-N -1 3 340.408 2.530 10 30 EFEEHM CCCOc1cncc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c1 ZINC000530156808 477877905 /nfs/dbraw/zinc/87/79/05/477877905.db2.gz FSYBHICKGLFZLB-UHFFFAOYSA-N -1 3 345.424 2.878 10 30 EFEEHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ncccc1[O-] ZINC000471969802 478013409 /nfs/dbraw/zinc/01/34/09/478013409.db2.gz VAFVNYHPGJQZKX-UHFFFAOYSA-N -1 3 349.312 2.657 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000440051935 478065339 /nfs/dbraw/zinc/06/53/39/478065339.db2.gz NEEHRPOXGZROOZ-ZDUSSCGKSA-N -1 3 339.417 2.725 10 30 EFEEHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c2c(n1)CCCC2 ZINC000560915836 478140943 /nfs/dbraw/zinc/14/09/43/478140943.db2.gz HAICOBRCQMLURI-UHFFFAOYSA-N -1 3 345.399 2.502 10 30 EFEEHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)c1 ZINC000579718988 478346809 /nfs/dbraw/zinc/34/68/09/478346809.db2.gz QOQDVOABAPPMCF-INIZCTEOSA-N -1 3 325.430 2.808 10 30 EFEEHM Cc1cc(Br)c([O-])c(NC(=O)[C@@H](N)CCCCC#N)c1 ZINC000594439014 478389695 /nfs/dbraw/zinc/38/96/95/478389695.db2.gz YRZCODQJZBFCIS-NSHDSACASA-N -1 3 340.221 2.813 10 30 EFEEHM C=CCCCCCNC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000581616776 478403154 /nfs/dbraw/zinc/40/31/54/478403154.db2.gz XSKAFJFMQYJAGQ-UHFFFAOYSA-N -1 3 345.443 2.606 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCCO1 ZINC000594485653 478405718 /nfs/dbraw/zinc/40/57/18/478405718.db2.gz BEFHGVRGXLRPBY-ZIAGYGMSSA-N -1 3 342.848 2.838 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCCO1 ZINC000594485652 478405920 /nfs/dbraw/zinc/40/59/20/478405920.db2.gz BEFHGVRGXLRPBY-UONOGXRCSA-N -1 3 342.848 2.838 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCCCO1 ZINC000594486742 478407259 /nfs/dbraw/zinc/40/72/59/478407259.db2.gz HPVSHFQAFGJCCP-UONOGXRCSA-N -1 3 342.848 2.838 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)CCCCC1 ZINC000594489612 478408919 /nfs/dbraw/zinc/40/89/19/478408919.db2.gz VTRDXDALEDJTBL-HNNXBMFYSA-N -1 3 340.489 2.872 10 30 EFEEHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@H](C#N)C(C)C ZINC000594576979 478446108 /nfs/dbraw/zinc/44/61/08/478446108.db2.gz MSWJSYAXTQGLAD-CYBMUJFWSA-N -1 3 345.262 2.725 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]C1(C#N)CCCCC1)c1ccc(F)cc1 ZINC000600667736 478459860 /nfs/dbraw/zinc/45/98/60/478459860.db2.gz HGYGZIGCESPCPX-HNNXBMFYSA-N -1 3 340.420 2.659 10 30 EFEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C(C)(C)O ZINC000594763208 478534243 /nfs/dbraw/zinc/53/42/43/478534243.db2.gz XKEZTTDIKFQZSF-SNVBAGLBSA-N -1 3 338.454 2.519 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000594790940 478541682 /nfs/dbraw/zinc/54/16/82/478541682.db2.gz ZHAUKBXUQQFTMT-VXGBXAGGSA-N -1 3 343.470 2.948 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594790860 478541732 /nfs/dbraw/zinc/54/17/32/478541732.db2.gz YSDZMNGOEVBDSK-TZMCWYRMSA-N -1 3 349.412 2.880 10 30 EFEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000594801248 478544602 /nfs/dbraw/zinc/54/46/02/478544602.db2.gz LORMSXSWRXLUCA-CQSZACIVSA-N -1 3 342.848 2.695 10 30 EFEEHM C=CCOc1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1OC ZINC000563430752 478558227 /nfs/dbraw/zinc/55/82/27/478558227.db2.gz AIFKXCHNLDJXAH-INIZCTEOSA-N -1 3 342.395 2.961 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1(F)F ZINC000594855411 478562157 /nfs/dbraw/zinc/56/21/57/478562157.db2.gz AOHAMWKAEBUDSR-LBPRGKRZSA-N -1 3 334.775 2.925 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2c(F)cccc2F)CCCCC1 ZINC000594869057 478567662 /nfs/dbraw/zinc/56/76/62/478567662.db2.gz AIVRXZXEGMYOIQ-UHFFFAOYSA-N -1 3 328.384 2.858 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2ccc(F)cc2F)CCCCC1 ZINC000594869102 478567995 /nfs/dbraw/zinc/56/79/95/478567995.db2.gz CKVVPQUCTHPBBY-UHFFFAOYSA-N -1 3 328.384 2.858 10 30 EFEEHM C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC3(C#N)CCCCC3)cn21 ZINC000594884290 478571800 /nfs/dbraw/zinc/57/18/00/478571800.db2.gz MJQJMCGTDKZDDU-ZDUSSCGKSA-N -1 3 336.461 2.533 10 30 EFEEHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594883455 478571870 /nfs/dbraw/zinc/57/18/70/478571870.db2.gz CDRUKQAHYJTPCY-UHFFFAOYSA-N -1 3 335.404 2.591 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1ccc(Cl)cc1 ZINC000582633488 478644543 /nfs/dbraw/zinc/64/45/43/478644543.db2.gz RYKCIVKKBFLGBJ-CQSZACIVSA-N -1 3 342.848 2.641 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@@H]2CCc3ccccc3N2)s1 ZINC000595112549 478663647 /nfs/dbraw/zinc/66/36/47/478663647.db2.gz FCPBJCNRNBKCJO-ZDUSSCGKSA-N -1 3 347.465 2.715 10 30 EFEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1(F)F ZINC000595354361 478744222 /nfs/dbraw/zinc/74/42/22/478744222.db2.gz SVCJYSKKZPFGHV-LLVKDONJSA-N -1 3 334.775 2.781 10 30 EFEEHM C=C(CC)C[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528412829 478760435 /nfs/dbraw/zinc/76/04/35/478760435.db2.gz XTRLJBQFPXDUIL-UHFFFAOYSA-N -1 3 339.335 2.838 10 30 EFEEHM Cc1cccc(C2([N-]S(=O)(=O)c3cccnc3C#N)CCC2)c1 ZINC000592074953 478765217 /nfs/dbraw/zinc/76/52/17/478765217.db2.gz SWAYQSCHQLOELJ-UHFFFAOYSA-N -1 3 327.409 2.619 10 30 EFEEHM COc1ccc(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1OCCCC#N ZINC000583204270 478790616 /nfs/dbraw/zinc/79/06/16/478790616.db2.gz GAKWOCSGQCBEIN-HOCLYGCPSA-N -1 3 346.427 2.920 10 30 EFEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598422622 478815122 /nfs/dbraw/zinc/81/51/22/478815122.db2.gz AFUJVKACBAZIHL-GASCZTMLSA-N -1 3 325.412 2.918 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(=O)OC ZINC000601502178 478853679 /nfs/dbraw/zinc/85/36/79/478853679.db2.gz MGLRNADUDVEWKP-QGZVFWFLSA-N -1 3 347.436 2.767 10 30 EFEEHM CC(C)c1csc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000544721465 478860812 /nfs/dbraw/zinc/86/08/12/478860812.db2.gz HWEXRRXFAJHNJA-UHFFFAOYSA-N -1 3 327.475 2.770 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592696971 479003613 /nfs/dbraw/zinc/00/36/13/479003613.db2.gz JAHZQKXMRMYMAT-OKILXGFUSA-N -1 3 345.443 2.671 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(F)cc1 ZINC000546769732 479070072 /nfs/dbraw/zinc/07/00/72/479070072.db2.gz VGQXYMOMHGKOLR-ZDUSSCGKSA-N -1 3 340.420 2.596 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(F)cc1 ZINC000546769726 479070822 /nfs/dbraw/zinc/07/08/22/479070822.db2.gz VGQXYMOMHGKOLR-CYBMUJFWSA-N -1 3 340.420 2.596 10 30 EFEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000592950457 479106397 /nfs/dbraw/zinc/10/63/97/479106397.db2.gz WVEYYPKEPCZNDQ-UHFFFAOYSA-N -1 3 337.305 2.801 10 30 EFEEHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000569052912 479134294 /nfs/dbraw/zinc/13/42/94/479134294.db2.gz BNYUWDBVSMFXKI-SWLSCSKDSA-N -1 3 340.420 2.515 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)CC1(C#N)CCCCC1)C(F)(F)F ZINC000554664526 479160026 /nfs/dbraw/zinc/16/00/26/479160026.db2.gz KONAHYFCKLCDCF-UHFFFAOYSA-N -1 3 326.384 2.968 10 30 EFEEHM N#Cc1cccc(N2CCN(Cc3cc([O-])ccc3Cl)CC2)n1 ZINC000599361723 479270731 /nfs/dbraw/zinc/27/07/31/479270731.db2.gz XNQUFKZRKQDUDT-UHFFFAOYSA-N -1 3 328.803 2.634 10 30 EFEEHM COc1ccc(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593526179 479377463 /nfs/dbraw/zinc/37/74/63/479377463.db2.gz QIKSEJANTBUSQN-LLVKDONJSA-N -1 3 336.438 2.976 10 30 EFEEHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593528983 479377831 /nfs/dbraw/zinc/37/78/31/479377831.db2.gz IBDYEYISFFBVPK-UHFFFAOYSA-N -1 3 336.438 2.635 10 30 EFEEHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593538326 479380883 /nfs/dbraw/zinc/38/08/83/479380883.db2.gz LQADTJQUTDEGJO-UHFFFAOYSA-N -1 3 348.449 2.638 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H]1CCCO1 ZINC000593540451 479381981 /nfs/dbraw/zinc/38/19/81/479381981.db2.gz WXXXINMMTIYQMY-XJKSGUPXSA-N -1 3 348.449 2.818 10 30 EFEEHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccsc2C#N)cs1 ZINC000593540162 479382358 /nfs/dbraw/zinc/38/23/58/479382358.db2.gz MHMHZUQNEUPYKW-UHFFFAOYSA-N -1 3 341.483 2.721 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccccc2)C1 ZINC000593547579 479384151 /nfs/dbraw/zinc/38/41/51/479384151.db2.gz WWPVVOWIPNBZCK-CYBMUJFWSA-N -1 3 347.465 2.567 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2nccs2)CCCC1 ZINC000593546724 479384373 /nfs/dbraw/zinc/38/43/73/479384373.db2.gz MVUORDHOVGTGKI-UHFFFAOYSA-N -1 3 339.467 2.824 10 30 EFEEHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593546260 479384449 /nfs/dbraw/zinc/38/44/49/479384449.db2.gz UPAHCYNOLNWOSU-NSHDSACASA-N -1 3 336.438 2.538 10 30 EFEEHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593547725 479384596 /nfs/dbraw/zinc/38/45/96/479384596.db2.gz JTFCWMVVKWOOPU-VIFPVBQESA-N -1 3 326.468 2.899 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)Cc1cccs1 ZINC000593553160 479386715 /nfs/dbraw/zinc/38/67/15/479386715.db2.gz QGZZGFUTTHYGLU-SNVBAGLBSA-N -1 3 326.468 2.838 10 30 EFEEHM CCO[C@@H](CC[N-]S(=O)(=O)c1ccsc1C#N)C1CCCC1 ZINC000593556639 479387051 /nfs/dbraw/zinc/38/70/51/479387051.db2.gz LPKBMXMROOXUMU-ZDUSSCGKSA-N -1 3 342.486 2.883 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccccc1OCC1CC1 ZINC000593557687 479387433 /nfs/dbraw/zinc/38/74/33/479387433.db2.gz PMYJHEYDNXMDHT-UHFFFAOYSA-N -1 3 348.449 2.887 10 30 EFEEHM CCOCCC1(C[N-]S(=O)(=O)c2ccsc2C#N)CCCC1 ZINC000593561348 479388356 /nfs/dbraw/zinc/38/83/56/479388356.db2.gz ARDKLXLJUUWVNM-UHFFFAOYSA-N -1 3 342.486 2.885 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000593572243 479390596 /nfs/dbraw/zinc/39/05/96/479390596.db2.gz LAYKHQHJXOEPNV-BBRMVZONSA-N -1 3 348.449 2.676 10 30 EFEEHM CN1CCC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc21 ZINC000593608276 479401106 /nfs/dbraw/zinc/40/11/06/479401106.db2.gz KQLIIEHEVDNPCI-ZDUSSCGKSA-N -1 3 347.465 2.869 10 30 EFEEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCCC2)cc1C ZINC000593619563 479404190 /nfs/dbraw/zinc/40/41/90/479404190.db2.gz BTOADKGSQFGKDB-UHFFFAOYSA-N -1 3 337.401 2.574 10 30 EFEEHM COCCOc1ccc(C#N)cc1[N-]C(=O)c1ocnc1C(F)F ZINC000599754266 479414583 /nfs/dbraw/zinc/41/45/83/479414583.db2.gz GTWOAOWBVIEEPJ-UHFFFAOYSA-N -1 3 337.282 2.761 10 30 EFEEHM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000589189857 479494212 /nfs/dbraw/zinc/49/42/12/479494212.db2.gz VNHLGVOWGJWSOY-SFHVURJKSA-N -1 3 335.407 2.610 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594136303 479603988 /nfs/dbraw/zinc/60/39/88/479603988.db2.gz HNAUFPAEEQYYLF-UHFFFAOYSA-N -1 3 346.390 2.622 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCCO1 ZINC000594183640 479621624 /nfs/dbraw/zinc/62/16/24/479621624.db2.gz ORBHKCNPDCMYJI-IAGOWNOFSA-N -1 3 345.443 2.672 10 30 EFEEHM CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)CC1 ZINC000612534782 479687930 /nfs/dbraw/zinc/68/79/30/479687930.db2.gz KSOXPHDKLVJSKV-SFHVURJKSA-N -1 3 341.455 2.577 10 30 EFEEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000610267294 480265733 /nfs/dbraw/zinc/26/57/33/480265733.db2.gz OUOMXFYXIOETKR-NSHDSACASA-N -1 3 336.388 2.898 10 30 EFEEHM C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617781451 480361231 /nfs/dbraw/zinc/36/12/31/480361231.db2.gz MTNKTFVCLDUHRW-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCCCCNC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000654664943 481987563 /nfs/dbraw/zinc/98/75/63/481987563.db2.gz GLHNJDHUBUKHNF-UHFFFAOYSA-N -1 3 345.443 2.606 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H](CO)c1cccc(Br)c1 ZINC000294470198 534574817 /nfs/dbraw/zinc/57/48/17/534574817.db2.gz HUSVMCUBSGRJHU-NSHDSACASA-N -1 3 334.160 2.810 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1c(C)noc1C ZINC000119256539 522679158 /nfs/dbraw/zinc/67/91/58/522679158.db2.gz CCKBNSLBJFTSTL-AWEZNQCLSA-N -1 3 337.376 2.732 10 30 EFEEHM N#Cc1cc(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)ccc1Cl ZINC000539784108 546327792 /nfs/dbraw/zinc/32/77/92/546327792.db2.gz GUDMQRGHWRRGJO-UHFFFAOYSA-N -1 3 338.758 2.568 10 30 EFEEHM N#Cc1cc(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)ccc1Cl ZINC000539784108 546327795 /nfs/dbraw/zinc/32/77/95/546327795.db2.gz GUDMQRGHWRRGJO-UHFFFAOYSA-N -1 3 338.758 2.568 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000657037002 547012300 /nfs/dbraw/zinc/01/23/00/547012300.db2.gz SAORPWUPWJUOAF-RYUDHWBXSA-N -1 3 343.474 2.515 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000657148439 547044781 /nfs/dbraw/zinc/04/47/81/547044781.db2.gz YZFCXWZBTRYFHN-UHFFFAOYSA-N -1 3 327.377 2.751 10 30 EFEEHM [O-]c1c(O)ccc(/C=N\[C@@H]2CCN(c3c(F)cccc3F)C2)c1O ZINC000755031010 575532481 /nfs/dbraw/zinc/53/24/81/575532481.db2.gz DSFZJZZMRHKWKZ-JOVAIETRSA-N -1 3 334.322 2.779 10 30 EFEEHM Fc1nc(F)c(F)c(N=NCc2n[n-]nc2-c2ccccc2)c1F ZINC000755542826 575599517 /nfs/dbraw/zinc/59/95/17/575599517.db2.gz IRMXQAZDGXMXSE-UHFFFAOYSA-N -1 3 336.252 2.869 10 30 EFEEHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCN(c3ncccc3Cl)C2)c1O ZINC000757528211 575841555 /nfs/dbraw/zinc/84/15/55/575841555.db2.gz VUKFIFDDLHFZTL-YTTILGKYSA-N -1 3 333.775 2.550 10 30 EFEEHM COC(=O)[C@@H](OC(=O)c1ccc([O-])cc1C)c1ccc(C#N)cc1 ZINC000758512653 575871214 /nfs/dbraw/zinc/87/12/14/575871214.db2.gz BQJFDBQUNOUJNU-INIZCTEOSA-N -1 3 325.320 2.643 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccccc2-n2cccn2)c1[O-] ZINC000759641644 575914261 /nfs/dbraw/zinc/91/42/61/575914261.db2.gz DTGXKTUINZNEAG-GMDDEGIZSA-N -1 3 336.395 2.954 10 30 EFEEHM Cc1cc(Cl)cc(C=NNc2ccc(-n3ccnc3)nn2)c1[O-] ZINC000761837035 576217504 /nfs/dbraw/zinc/21/75/04/576217504.db2.gz QKEUWTBIJWHCHJ-UHFFFAOYSA-N -1 3 328.763 2.776 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)C[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000765415077 577039945 /nfs/dbraw/zinc/03/99/45/577039945.db2.gz BCEYDFMRWWTQCD-WIDZWVOGSA-N -1 3 337.441 2.865 10 30 EFEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000765585538 577056952 /nfs/dbraw/zinc/05/69/52/577056952.db2.gz BHZWQIHHQOHDTB-HNNXBMFYSA-N -1 3 343.770 2.843 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000766046701 577101311 /nfs/dbraw/zinc/10/13/11/577101311.db2.gz AHVKZDYLSSOLKZ-WSROAFLRSA-N -1 3 343.246 2.887 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)O[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000767753204 577231759 /nfs/dbraw/zinc/23/17/59/577231759.db2.gz ZQMHCCDIIQGIKH-QWHCGFSZSA-N -1 3 339.392 2.824 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C\c1ccccc1Br ZINC000768879294 577313311 /nfs/dbraw/zinc/31/33/11/577313311.db2.gz AHVKZDYLSSOLKZ-MEJMFZKBSA-N -1 3 343.246 2.887 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000768879311 577313323 /nfs/dbraw/zinc/31/33/23/577313323.db2.gz AOMOXHGNXGUQRG-MEJMFZKBSA-N -1 3 343.246 2.887 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000773872257 581471250 /nfs/dbraw/zinc/47/12/50/581471250.db2.gz OQLGXHTXJDYRLI-CYBMUJFWSA-N -1 3 343.420 2.782 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)c1 ZINC000773974296 581476099 /nfs/dbraw/zinc/47/60/99/581476099.db2.gz HKMDYEUFWTVZLH-JJEJIETFSA-N -1 3 335.363 2.759 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000774410545 581490961 /nfs/dbraw/zinc/49/09/61/581490961.db2.gz MBNCAKJPKRARQF-HIFRSBDPSA-N -1 3 347.463 2.810 10 30 EFEEHM Cn1[n-]ccc1=NN=C1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000774411178 581490968 /nfs/dbraw/zinc/49/09/68/581490968.db2.gz PQJKJELTWOWQHC-AWEZNQCLSA-N -1 3 341.415 2.628 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000774410553 581491011 /nfs/dbraw/zinc/49/10/11/581491011.db2.gz MBNCAKJPKRARQF-ZFWWWQNUSA-N -1 3 347.463 2.810 10 30 EFEEHM CC(C)C#CC(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001745009712 1248980520 /nfs/dbraw/zinc/98/05/20/1248980520.db2.gz APKBMUYBGBFQCK-MRXNPFEDSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C1CCC(C(=O)N(CC)CCNC(=O)c2ccccc2[O-])CC1 ZINC001745282269 1249335656 /nfs/dbraw/zinc/33/56/56/1249335656.db2.gz IRJPNIICQLNHET-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C1CC(C)(C(=O)NCCN(CCC)C(=O)c2ccccc2[O-])C1 ZINC001745479680 1249765656 /nfs/dbraw/zinc/76/56/56/1249765656.db2.gz DAKKQPJYNXUXFK-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001744812220 1248032558 /nfs/dbraw/zinc/03/25/58/1248032558.db2.gz HHYWUZAZEYNWQP-MRXNPFEDSA-N -1 3 342.439 2.554 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@](C)(NC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001746257990 1251698938 /nfs/dbraw/zinc/69/89/38/1251698938.db2.gz UOJQSJITKODHSV-HXUWFJFHSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CC1(CC(=O)NCCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001720019574 1252069587 /nfs/dbraw/zinc/06/95/87/1252069587.db2.gz BMDUSRUBWJNWKZ-UHFFFAOYSA-N -1 3 330.428 2.765 10 30 EFEEHM Cc1ccc(C(=O)NCCC(=O)OCC2CCC(C#N)CC2)c([O-])c1 ZINC000922405649 1265933796 /nfs/dbraw/zinc/93/37/96/1265933796.db2.gz WVURAIFEXCZASK-UHFFFAOYSA-N -1 3 344.411 2.694 10 30 EFEEHM O=C(Cc1n[nH]c(=O)c2ccccc12)N([O-])Cc1ccccc1Cl ZINC001649040609 1257656742 /nfs/dbraw/zinc/65/67/42/1257656742.db2.gz HNIDBRDFNOVAME-UHFFFAOYSA-N -1 3 343.770 2.949 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001649056596 1258054169 /nfs/dbraw/zinc/05/41/69/1258054169.db2.gz DELNTNJXDXUERT-KRWDZBQOSA-N -1 3 338.423 2.997 10 30 EFEEHM Cc1ncc(Br)c(C(=O)N([O-])Cc2ccc(F)cc2)n1 ZINC001649069556 1258156073 /nfs/dbraw/zinc/15/60/73/1258156073.db2.gz CPNYGVRLUINGDC-UHFFFAOYSA-N -1 3 340.152 2.718 10 30 EFEEHM O=C(c1cc(OCC(F)F)ccn1)N([O-])Cc1ccc(F)cc1 ZINC001649070451 1258162221 /nfs/dbraw/zinc/16/22/21/1258162221.db2.gz ZUWBBSVFPFHNJX-UHFFFAOYSA-N -1 3 326.274 2.896 10 30 EFEEHM Cc1nc(C)c(CC(=O)OCC#Cc2ccccc2Cl)c(=O)[n-]1 ZINC000747021295 1278175436 /nfs/dbraw/zinc/17/54/36/1278175436.db2.gz DSLWODRGFSGIAH-UHFFFAOYSA-N -1 3 330.771 2.590 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001486580988 1263464611 /nfs/dbraw/zinc/46/46/11/1263464611.db2.gz BSVKBNNTTHZDFL-MHVYXZCWSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cc3nc(Cl)ncc3s2)CCC1 ZINC000922044319 1264207598 /nfs/dbraw/zinc/20/75/98/1264207598.db2.gz NDPWUILSCPLYOP-UHFFFAOYSA-N -1 3 341.845 2.569 10 30 EFEEHM C[C@@]1([N-]S(=O)(=O)c2ccsc2C#N)CCOc2ccccc21 ZINC000922095888 1264358956 /nfs/dbraw/zinc/35/89/56/1264358956.db2.gz RLBREEUTWSWHOY-OAHLLOKOSA-N -1 3 334.422 2.596 10 30 EFEEHM N#CCOc1ccc(Cl)cc1CSc1nc2nncc-2c(O)[n-]1 ZINC000735303090 1267265739 /nfs/dbraw/zinc/26/57/39/1267265739.db2.gz KFYGSBQSWBSWJD-UHFFFAOYSA-N -1 3 347.787 2.907 10 30 EFEEHM COc1ccccc1[C@]1(C)C[C@H]1/N=C/c1c([O-])c(C)ncc1CO ZINC000741464025 1269540212 /nfs/dbraw/zinc/54/02/12/1269540212.db2.gz JYMKYCUFTOTEPT-VBFVGENYSA-N -1 3 326.396 2.746 10 30 EFEEHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792120661 1278595681 /nfs/dbraw/zinc/59/56/81/1278595681.db2.gz KQKVZKNBZWIGDU-GOSISDBHSA-N -1 3 337.423 2.851 10 30 EFEEHM C=CCC[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccccc1 ZINC000866990938 1272798466 /nfs/dbraw/zinc/79/84/66/1272798466.db2.gz DZQGFYYMAJUHIL-JLTOFOAXSA-N -1 3 330.475 2.646 10 30 EFEEHM Cc1cc(C(=O)NCc2ncccc2[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000792610922 1278995043 /nfs/dbraw/zinc/99/50/43/1278995043.db2.gz VGEXDZHWZBZHJY-UHFFFAOYSA-N -1 3 346.390 2.996 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ncc(C(F)(F)F)s1 ZINC000788424828 1276162971 /nfs/dbraw/zinc/16/29/71/1276162971.db2.gz BVOCEPFNHQAOMC-UHFFFAOYSA-N -1 3 349.359 2.615 10 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/nfs/dbraw/zinc/87/48/21/1279874821.db2.gz QHPHOLKCHIAMIA-UHFFFAOYSA-N -1 3 336.438 2.885 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@@]1(F)Cl ZINC000845974704 1279950655 /nfs/dbraw/zinc/95/06/55/1279950655.db2.gz DKCRKHDGOVQOPD-OLZOCXBDSA-N -1 3 334.775 2.680 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)C[C@@]1(F)Cl ZINC000845980868 1279955951 /nfs/dbraw/zinc/95/59/51/1279955951.db2.gz MHKYBQGAISGTME-STQMWFEESA-N -1 3 334.775 2.680 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000846550010 1280244470 /nfs/dbraw/zinc/24/44/70/1280244470.db2.gz QHPZFKOAYRTCHN-GDBMZVCRSA-N -1 3 332.400 2.658 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl)C(C)(C)C ZINC000805147060 1280457612 /nfs/dbraw/zinc/45/76/12/1280457612.db2.gz QQASFFGJTSFEBA-LBPRGKRZSA-N -1 3 344.820 2.883 10 30 EFEEHM N#CC1(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)CCC1 ZINC000811395145 1284283293 /nfs/dbraw/zinc/28/32/93/1284283293.db2.gz WVHCFTIROXKHPK-UHFFFAOYSA-N -1 3 337.788 2.602 10 30 EFEEHM N#Cc1cscc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC000814612899 1286845876 /nfs/dbraw/zinc/84/58/76/1286845876.db2.gz UJTAYLQVJVQQFJ-UHFFFAOYSA-N -1 3 327.321 2.732 10 30 EFEEHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cncnc1 ZINC000814767821 1287013757 /nfs/dbraw/zinc/01/37/57/1287013757.db2.gz WMSCHJXLXXBJGO-UHFFFAOYSA-N -1 3 328.426 2.531 10 30 EFEEHM Cc1cc2occ(CC(=O)N[C@@H]3CCN([O-])C3=O)c2cc1C(C)C ZINC000816690178 1288246316 /nfs/dbraw/zinc/24/63/16/1288246316.db2.gz KEWRKDRLWCCHDP-OAHLLOKOSA-N -1 3 330.384 2.513 10 30 EFEEHM O=C(CCCn1ccc2cc(Cl)ccc21)N[C@@H]1CCCN([O-])C1=O ZINC000816753539 1288263408 /nfs/dbraw/zinc/26/34/08/1288263408.db2.gz KASZUNYLQDAYDS-CQSZACIVSA-N -1 3 349.818 2.571 10 30 EFEEHM Cn1cc(-c2cncc(C(=O)N([O-])Cc3ccc(F)cc3)c2)cn1 ZINC001184347743 1290450792 /nfs/dbraw/zinc/45/07/92/1290450792.db2.gz BITQTYYURXXMEW-UHFFFAOYSA-N -1 3 326.331 2.653 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1ccns1)c1ccc(Cl)cc1F ZINC001190188729 1292023096 /nfs/dbraw/zinc/02/30/96/1292023096.db2.gz MZKWIUSSNVYGFE-NSHDSACASA-N -1 3 330.793 2.588 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(CC2CC2)CC1 ZINC000881517239 1292919324 /nfs/dbraw/zinc/91/93/24/1292919324.db2.gz QVALUQUHZOREQZ-UHFFFAOYSA-N -1 3 327.428 2.905 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCOC1 ZINC000882445222 1293203846 /nfs/dbraw/zinc/20/38/46/1293203846.db2.gz FADIUXZTQQZYDF-WMLDXEAASA-N -1 3 345.443 2.530 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1F)C(=O)OCC ZINC000882644547 1293275132 /nfs/dbraw/zinc/27/51/32/1293275132.db2.gz IXYNXZKBWNHFAX-KVPUOBJLSA-N -1 3 341.404 2.614 10 30 EFEEHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000882849632 1293352335 /nfs/dbraw/zinc/35/23/35/1293352335.db2.gz OBUKXFSIAXQZQI-JTQLQIEISA-N -1 3 338.256 2.907 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000885837601 1294519759 /nfs/dbraw/zinc/51/97/59/1294519759.db2.gz XOKCTPXAJLQWNI-UHFFFAOYSA-N -1 3 348.251 2.844 10 30 EFEEHM C[C@@H](Nc1cc(F)ccc1C#N)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001412895759 1295705515 /nfs/dbraw/zinc/70/55/15/1295705515.db2.gz YUPTTXYEIUCOJZ-GHMZBOCLSA-N -1 3 328.347 2.873 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1ccc(F)cc1 ZINC001412998723 1296632047 /nfs/dbraw/zinc/63/20/47/1296632047.db2.gz BYAZVWQZDTXIGB-HNNXBMFYSA-N -1 3 334.297 2.639 10 30 EFEEHM CC[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(C#N)c1)CC(F)(F)F ZINC000867404058 1297067003 /nfs/dbraw/zinc/06/70/03/1297067003.db2.gz DGQKHZGYIIDWPT-SECBINFHSA-N -1 3 338.326 2.954 10 30 EFEEHM C=CCC(C)(C)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001488561350 1297518679 /nfs/dbraw/zinc/51/86/79/1297518679.db2.gz HBDLRKGKLMLKSV-UHFFFAOYSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490683369 1299085001 /nfs/dbraw/zinc/08/50/01/1299085001.db2.gz FGGCOOVQYPCRET-JHNDHUHGSA-N -1 3 342.439 2.856 10 30 EFEEHM Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)cc(C#N)c1[N+](=O)[O-] ZINC000853484595 1300131662 /nfs/dbraw/zinc/13/16/62/1300131662.db2.gz PKPDTFAZUMMCHH-UHFFFAOYSA-N -1 3 326.238 2.524 10 30 EFEEHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(SC)ccc1[O-] ZINC000855495516 1300983192 /nfs/dbraw/zinc/98/31/92/1300983192.db2.gz ADDOXDQHFKEVKH-UHFFFAOYSA-N -1 3 335.425 2.531 10 30 EFEEHM CCO[C@@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000859478143 1301473585 /nfs/dbraw/zinc/47/35/85/1301473585.db2.gz RVGOGWQRKHBYII-INIZCTEOSA-N -1 3 332.400 2.567 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](C)C(F)(F)F ZINC000748237248 1313837651 /nfs/dbraw/zinc/83/76/51/1313837651.db2.gz WPNPLBHFVUYWMH-MRVPVSSYSA-N -1 3 330.306 2.950 10 30 EFEEHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cn(C[C@H]2CCOC2)nn1 ZINC000865218749 1303192987 /nfs/dbraw/zinc/19/29/87/1303192987.db2.gz VMZMMRUPLFRPCL-RACMRDOMSA-N -1 3 343.358 2.543 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CC(C)(C)CO1 ZINC000869335020 1304726632 /nfs/dbraw/zinc/72/66/32/1304726632.db2.gz CAYLORKMSUGSOE-ZDUSSCGKSA-N -1 3 332.400 2.567 10 30 EFEEHM O=C(C[C@@H]1CCC2(CCOCC2)CO1)N([O-])Cc1ccc(F)cc1 ZINC000901372817 1310257139 /nfs/dbraw/zinc/25/71/39/1310257139.db2.gz NDTQTDDYQDDEOT-INIZCTEOSA-N -1 3 337.391 2.909 10 30 EFEEHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccccc1 ZINC000901378466 1310274866 /nfs/dbraw/zinc/27/48/66/1310274866.db2.gz HUGYDFSXWFBMCJ-KRWDZBQOSA-N -1 3 330.359 2.811 10 30 EFEEHM Cc1cc(C(=O)/C=C\c2cnc(N3CCOCC3)s2)cc(O)c1[O-] ZINC000901523976 1310605939 /nfs/dbraw/zinc/60/59/39/1310605939.db2.gz PVMSGQONQPOGKJ-IHWYPQMZSA-N -1 3 346.408 2.595 10 30 EFEEHM Cc1c(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)c2ccccc2n1C ZINC000901771975 1311024710 /nfs/dbraw/zinc/02/47/10/1311024710.db2.gz NVFHHUZSSBACOF-GFCCVEGCSA-N -1 3 345.346 2.610 10 30 EFEEHM Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F ZINC000901772502 1311025463 /nfs/dbraw/zinc/02/54/63/1311025463.db2.gz LIJRLUOHOJREAC-JTQLQIEISA-N -1 3 326.727 2.771 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[O-] ZINC000752152237 1311148061 /nfs/dbraw/zinc/14/80/61/1311148061.db2.gz FPNAJSAIMQUPOH-KRKPDOBPSA-N -1 3 326.396 2.960 10 30 EFEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cc21 ZINC000901953548 1311234024 /nfs/dbraw/zinc/23/40/24/1311234024.db2.gz HGJDAIDSXQYUEF-HNNXBMFYSA-N -1 3 335.429 2.533 10 30 EFEEHM O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC001161842932 1311984937 /nfs/dbraw/zinc/98/49/37/1311984937.db2.gz UQNTUDCEEGGUAV-AWEZNQCLSA-N -1 3 334.391 2.725 10 30 EFEEHM C[C@@H](Nc1nc2ncccc2cc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001164226103 1312472772 /nfs/dbraw/zinc/47/27/72/1312472772.db2.gz NPPBQNZIGYMYIX-SSDOTTSWSA-N -1 3 333.277 2.811 10 30 EFEEHM C=CCCC(=O)NCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001299655839 1316322872 /nfs/dbraw/zinc/32/28/72/1316322872.db2.gz LZISIBDPXHDYHS-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C(C)Cc1cccc(-c2nnc(N(CCF)CCOC)n2C)c1[O-] ZINC001262918080 1316503014 /nfs/dbraw/zinc/50/30/14/1316503014.db2.gz GFSAOQXFEKDVLR-UHFFFAOYSA-N -1 3 348.422 2.729 10 30 EFEEHM CN(C[C@@H]1CCCN1C(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001279829930 1317397103 /nfs/dbraw/zinc/39/71/03/1317397103.db2.gz WRNBUXPRHZLJHB-HNNXBMFYSA-N -1 3 342.439 2.505 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001279939763 1317417792 /nfs/dbraw/zinc/41/77/92/1317417792.db2.gz YCIZFNRLRUHZHM-UHFFFAOYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001280190653 1317473128 /nfs/dbraw/zinc/47/31/28/1317473128.db2.gz SLDUVUIOYAXYDJ-UONOGXRCSA-N -1 3 330.428 2.762 10 30 EFEEHM C=CCC1(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001281160640 1318048892 /nfs/dbraw/zinc/04/88/92/1318048892.db2.gz UTWWTXYBWSIZTM-GJZGRUSLSA-N -1 3 342.439 2.858 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001282054977 1318687390 /nfs/dbraw/zinc/68/73/90/1318687390.db2.gz FODTXMSJCGILOM-KUHUBIRLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](C(=O)NCCCNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001283185808 1319410074 /nfs/dbraw/zinc/41/00/74/1319410074.db2.gz NFAROFBMWAVAHE-INIZCTEOSA-N -1 3 338.407 2.598 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001283981257 1320127818 /nfs/dbraw/zinc/12/78/18/1320127818.db2.gz XNHSELWYCPUYQJ-HRCADAONSA-N -1 3 342.439 2.810 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001284139075 1320229482 /nfs/dbraw/zinc/22/94/82/1320229482.db2.gz NYJXTGWPRAJCTJ-JKSUJKDBSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCC1 ZINC001284689014 1320476207 /nfs/dbraw/zinc/47/62/07/1320476207.db2.gz BUZHBZYFCZRMMF-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM CC#CCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])CC(C)C ZINC001285258010 1320792755 /nfs/dbraw/zinc/79/27/55/1320792755.db2.gz KHFNBTNDIQHVMX-INIZCTEOSA-N -1 3 344.455 2.847 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285413988 1320900287 /nfs/dbraw/zinc/90/02/87/1320900287.db2.gz ZBUYTODMQPVPQE-NVXWUHKLSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC1(C(=O)NC[C@H]2CCN2C(=O)c2ccccc2[O-])CCCC1 ZINC001285880571 1321123304 /nfs/dbraw/zinc/12/33/04/1321123304.db2.gz RKZUOSNATQSYDQ-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@@](C)(NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001286072473 1321220194 /nfs/dbraw/zinc/22/01/94/1321220194.db2.gz GBXPPWLWJUEWCG-LJQANCHMSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286114078 1321244818 /nfs/dbraw/zinc/24/48/18/1321244818.db2.gz VAWPCSQTIJUGSO-MGPUTAFESA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCC(=O)NCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001286144954 1321265002 /nfs/dbraw/zinc/26/50/02/1321265002.db2.gz DFZOJAZKGSRFNH-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CCC1(C(=O)N2CC([C@@H](C)NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001286182501 1321287703 /nfs/dbraw/zinc/28/77/03/1321287703.db2.gz QCLZWVZEUCCDBA-CQSZACIVSA-N -1 3 342.439 2.715 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001286321111 1321337690 /nfs/dbraw/zinc/33/76/90/1321337690.db2.gz KUHJIAVADNAPBD-HOTGVXAUSA-N -1 3 342.439 2.743 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001286321112 1321338022 /nfs/dbraw/zinc/33/80/22/1321338022.db2.gz KUHJIAVADNAPBD-HZPDHXFCSA-N -1 3 342.439 2.743 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001287856942 1321529293 /nfs/dbraw/zinc/52/92/93/1321529293.db2.gz RPVCZXQUEUDHDC-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001288045755 1321594861 /nfs/dbraw/zinc/59/48/61/1321594861.db2.gz RNOMTUCWOLVOFL-HOTGVXAUSA-N -1 3 342.439 2.601 10 30 EFEEHM O=C(NCC#Cc1ccccc1)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001290474752 1321916558 /nfs/dbraw/zinc/91/65/58/1321916558.db2.gz GACZYADRLGFXKH-UHFFFAOYSA-N -1 3 338.313 2.588 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001297917199 1323379956 /nfs/dbraw/zinc/37/99/56/1323379956.db2.gz XOYRWLGTYUEDIN-ZBFHGGJFSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001298112174 1323433520 /nfs/dbraw/zinc/43/35/20/1323433520.db2.gz NHSDUYQBNBNHMM-ZBFHGGJFSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491921515 1324035595 /nfs/dbraw/zinc/03/55/95/1324035595.db2.gz YYZOQDAYKNSPEW-KUHUBIRLSA-N -1 3 330.428 2.667 10 30 EFEEHM CCCCCCN([O-])C(=O)CCCN1C(=O)c2ccccc2C1=O ZINC001306897076 1324730294 /nfs/dbraw/zinc/73/02/94/1324730294.db2.gz YFKTVRPEBFARIC-UHFFFAOYSA-N -1 3 332.400 2.861 10 30 EFEEHM C=C(Br)CN(CC)CCCNC(=O)c1ccccc1[O-] ZINC001316883488 1325260541 /nfs/dbraw/zinc/26/05/41/1325260541.db2.gz GCHINBHYCQQQEL-UHFFFAOYSA-N -1 3 341.249 2.743 10 30 EFEEHM C=CCCCCCN1CC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001318051041 1328483282 /nfs/dbraw/zinc/48/32/82/1328483282.db2.gz ABAXXCYHYCSZDZ-UHFFFAOYSA-N -1 3 346.475 2.774 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001335735949 1331396198 /nfs/dbraw/zinc/39/61/98/1331396198.db2.gz WXDHRSYTEWUCCY-WKILWMFISA-N -1 3 342.439 2.601 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001336696151 1331493536 /nfs/dbraw/zinc/49/35/36/1331493536.db2.gz JNWITEKAXLGJDG-OAHLLOKOSA-N -1 3 332.444 2.865 10 30 EFEEHM C#C[C@@H]1CCCCN1c1nnc(CCc2cccc(Cl)c2[O-])n1C ZINC001337868374 1331606991 /nfs/dbraw/zinc/60/69/91/1331606991.db2.gz AQBZAPCQPNUEEF-CQSZACIVSA-N -1 3 344.846 2.951 10 30 EFEEHM CC#CCCCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001338327280 1331692577 /nfs/dbraw/zinc/69/25/77/1331692577.db2.gz XSDANIAYJBMBEJ-HOTGVXAUSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C(C)C)CC1 ZINC001339210702 1331818075 /nfs/dbraw/zinc/81/80/75/1331818075.db2.gz KNMDCGFUESCKJT-UHFFFAOYSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C(C)C)CC1 ZINC001339210702 1331818081 /nfs/dbraw/zinc/81/80/81/1331818081.db2.gz KNMDCGFUESCKJT-UHFFFAOYSA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cc1cccc(-c2nnc(N3CCC4(COC4)C3)n2C)c1[O-] ZINC001339316863 1331840798 /nfs/dbraw/zinc/84/07/98/1331840798.db2.gz NIXBXSDFDPIDGG-UHFFFAOYSA-N -1 3 340.427 2.533 10 30 EFEEHM C#CCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001339654946 1331921632 /nfs/dbraw/zinc/92/16/32/1331921632.db2.gz KNWPCCRAKZOPRU-HZPDHXFCSA-N -1 3 342.439 2.695 10 30 EFEEHM C#CCCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001339654944 1331921856 /nfs/dbraw/zinc/92/18/56/1331921856.db2.gz KNWPCCRAKZOPRU-CVEARBPZSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001344140715 1332405996 /nfs/dbraw/zinc/40/59/96/1332405996.db2.gz DRHFJFGKSPGUMI-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001345994696 1332590802 /nfs/dbraw/zinc/59/08/02/1332590802.db2.gz UOSFOEDONIAREC-MNOVXSKESA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C)[C@@H]1CC ZINC001345994696 1332590803 /nfs/dbraw/zinc/59/08/03/1332590803.db2.gz UOSFOEDONIAREC-MNOVXSKESA-N -1 3 335.843 2.918 10 30 EFEEHM C=CCCC1(C(=O)N(C)CCCNC(=O)c2ccccc2[O-])CC1 ZINC001351262336 1333203606 /nfs/dbraw/zinc/20/36/06/1333203606.db2.gz SMSAOAPZFHFIJR-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=C1CCC(C(=O)NCCCN(C)C(=O)c2ccccc2[O-])CC1 ZINC001351878410 1333307441 /nfs/dbraw/zinc/30/74/41/1333307441.db2.gz NBKNXBSPBZSCKP-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C#C[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000847339820 1333570276 /nfs/dbraw/zinc/57/02/76/1333570276.db2.gz UKENYRRJXQXTCK-NSHDSACASA-N -1 3 337.217 2.710 10 30 EFEEHM C#C[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000847339819 1333570445 /nfs/dbraw/zinc/57/04/45/1333570445.db2.gz UKENYRRJXQXTCK-LLVKDONJSA-N -1 3 337.217 2.710 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001354799578 1334526215 /nfs/dbraw/zinc/52/62/15/1334526215.db2.gz OIAOLEIKKCVREN-CQSZACIVSA-N -1 3 330.428 2.573 10 30 EFEEHM C=CCCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001354974402 1334625566 /nfs/dbraw/zinc/62/55/66/1334625566.db2.gz GTMQQKUNCXFWAW-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(CC)CC1 ZINC001355979062 1334923353 /nfs/dbraw/zinc/92/33/53/1334923353.db2.gz ZUQWEBBQMYOLFK-UHFFFAOYSA-N -1 3 335.843 2.919 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(CC)CC1 ZINC001355979062 1334923355 /nfs/dbraw/zinc/92/33/55/1334923355.db2.gz ZUQWEBBQMYOLFK-UHFFFAOYSA-N -1 3 335.843 2.919 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001356007260 1334929887 /nfs/dbraw/zinc/92/98/87/1334929887.db2.gz GZKPDNWFYFHQHN-ZDUSSCGKSA-N -1 3 329.404 2.841 10 30 EFEEHM N#Cc1ccc(C(=O)[N-]c2nnc(CC(F)(F)F)s2)nc1Cl ZINC001356236015 1334999352 /nfs/dbraw/zinc/99/93/52/1334999352.db2.gz KCYFZRUJWZJBSV-UHFFFAOYSA-N -1 3 347.709 2.815 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3ccccc3Cl)s2)nn1 ZINC001357498777 1335310455 /nfs/dbraw/zinc/31/04/55/1335310455.db2.gz QSABENWMTGXUCO-UHFFFAOYSA-N -1 3 346.803 2.888 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001361767666 1336323214 /nfs/dbraw/zinc/32/32/14/1336323214.db2.gz UPVUEDIKVCFBJR-QHCPKHFHSA-N -1 3 337.445 2.631 10 30 EFEEHM CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc([O-])ccc1Cl ZINC001362646330 1336689322 /nfs/dbraw/zinc/68/93/22/1336689322.db2.gz FJYJXZKXXAFADH-INIZCTEOSA-N -1 3 330.771 2.723 10 30 EFEEHM N#CCSc1ccccc1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001363355308 1336889969 /nfs/dbraw/zinc/88/99/69/1336889969.db2.gz HMXHBLSAFNJCQW-UHFFFAOYSA-N -1 3 340.408 2.605 10 30 EFEEHM N#CC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)CCCC1 ZINC001420450273 1376998076 /nfs/dbraw/zinc/99/80/76/1376998076.db2.gz OWSCJMAZEACDTI-UHFFFAOYSA-N -1 3 338.367 2.789 10 30 EFEEHM N#CC1(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)CCCC1 ZINC001420450273 1376998084 /nfs/dbraw/zinc/99/80/84/1376998084.db2.gz OWSCJMAZEACDTI-UHFFFAOYSA-N -1 3 338.367 2.789 10 30 EFEEHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)Cc1cc(F)ccc1C#N ZINC001440906352 1389994288 /nfs/dbraw/zinc/99/42/88/1389994288.db2.gz QSVMUYRHROBLFN-ZDUSSCGKSA-N -1 3 341.386 2.653 10 30 EFEEHM C=C(C)C[C@H](CO)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001455197687 1394578156 /nfs/dbraw/zinc/57/81/56/1394578156.db2.gz CLNCPUADRLIRDR-SNVBAGLBSA-N -1 3 341.433 2.547 10 30 EFEEHM Cc1cnc2nc(C(=O)[N-]c3ccccc3SCCC#N)nn2c1 ZINC001456305877 1394663313 /nfs/dbraw/zinc/66/33/13/1394663313.db2.gz QFVKSQVVIZUMCV-UHFFFAOYSA-N -1 3 338.396 2.691 10 30 EFEEHM C=CCC(F)(F)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001456802344 1394815876 /nfs/dbraw/zinc/81/58/76/1394815876.db2.gz YDCLCHAKTSRBCL-UHFFFAOYSA-N -1 3 335.310 2.917 10 30 EFEEHM C=CCC(F)(F)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001456802344 1394815882 /nfs/dbraw/zinc/81/58/82/1394815882.db2.gz YDCLCHAKTSRBCL-UHFFFAOYSA-N -1 3 335.310 2.917 10 30 EFEEHM C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001458642494 1395535094 /nfs/dbraw/zinc/53/50/94/1395535094.db2.gz RWMGVUYJKSATOU-BYPYZUCNSA-N -1 3 332.267 2.838 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001464134108 1396549115 /nfs/dbraw/zinc/54/91/15/1396549115.db2.gz FTNIOKHLNFRFTF-UHFFFAOYSA-N -1 3 343.420 2.944 10 30 EFEEHM CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC001470385458 1397089696 /nfs/dbraw/zinc/08/96/96/1397089696.db2.gz VFPUGYNXNVJDLI-UHFFFAOYSA-N -1 3 347.390 2.574 10 30 EFEEHM CCCCCCCNC(=O)c1nn(-c2ccc(F)cc2)c([O-])cc1=O ZINC001470385458 1397089700 /nfs/dbraw/zinc/08/97/00/1397089700.db2.gz VFPUGYNXNVJDLI-UHFFFAOYSA-N -1 3 347.390 2.574 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494307522 1399271647 /nfs/dbraw/zinc/27/16/47/1399271647.db2.gz GTTWWMPMFMZLDG-MGPUTAFESA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001497974153 1401785882 /nfs/dbraw/zinc/78/58/82/1401785882.db2.gz FQJPKIGKNBTLQP-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001500835252 1403339752 /nfs/dbraw/zinc/33/97/52/1403339752.db2.gz CPOPXZCVZFRABH-HNNXBMFYSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001506611468 1406041510 /nfs/dbraw/zinc/04/15/10/1406041510.db2.gz RYMNQACJBCGDEG-MGPUTAFESA-N -1 3 344.455 2.963 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001506611465 1406042041 /nfs/dbraw/zinc/04/20/41/1406042041.db2.gz RYMNQACJBCGDEG-FOIQADDNSA-N -1 3 344.455 2.963 10 30 EFEEHM CC#CCCCC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001508644464 1407588541 /nfs/dbraw/zinc/58/85/41/1407588541.db2.gz NABPIONSZHZGIS-UHFFFAOYSA-N -1 3 344.455 2.800 10 30 EFEEHM C=C1CCC(C(=O)N[C@@H](C)CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001510457979 1412697395 /nfs/dbraw/zinc/69/73/95/1412697395.db2.gz JVAUXIUVZOVIDW-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C[C@H]1[C@H](NC(=O)c2ccccc2[O-])CCCN1C(=O)C#CC(C)(C)C ZINC001511355571 1412989927 /nfs/dbraw/zinc/98/99/27/1412989927.db2.gz MNDPVCPWZROQEZ-GOEBONIOSA-N -1 3 342.439 2.551 10 30 EFEEHM CCOc1nnc(NC(=O)c2ccccc2-c2ccccc2C#N)[n-]1 ZINC001558011323 1415155239 /nfs/dbraw/zinc/15/52/39/1415155239.db2.gz HYFXIPPOYSIYQE-UHFFFAOYSA-N -1 3 333.351 2.994 10 30 EFEEHM CCOc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)n[n-]1 ZINC001558011323 1415155241 /nfs/dbraw/zinc/15/52/41/1415155241.db2.gz HYFXIPPOYSIYQE-UHFFFAOYSA-N -1 3 333.351 2.994 10 30 EFEEHM CCOc1n[n-]c(NC(=O)c2ccccc2-c2ccccc2C#N)n1 ZINC001558011323 1415155244 /nfs/dbraw/zinc/15/52/44/1415155244.db2.gz HYFXIPPOYSIYQE-UHFFFAOYSA-N -1 3 333.351 2.994 10 30 EFEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001561596465 1415319494 /nfs/dbraw/zinc/31/94/94/1415319494.db2.gz FTNNIFANTBRAFJ-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC001561689214 1415321610 /nfs/dbraw/zinc/32/16/10/1415321610.db2.gz HXRMNHAOVFOGSV-AWEZNQCLSA-N -1 3 325.311 2.757 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)OC)cc2F)CC1 ZINC001561905133 1415328972 /nfs/dbraw/zinc/32/89/72/1415328972.db2.gz CQITVVMYWUKMED-UHFFFAOYSA-N -1 3 341.404 2.637 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H](CC)CNC(=O)c2ccccc2[O-])CC1 ZINC001688722618 1416999208 /nfs/dbraw/zinc/99/92/08/1416999208.db2.gz DOSHRQNQJIXVHT-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001702889294 1417777799 /nfs/dbraw/zinc/77/77/99/1417777799.db2.gz GDRGHUKVIZOCAI-FSDCSDTHSA-N -1 3 342.439 2.856 10 30 EFEEHM C#CCCCC(=O)N1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001704730582 1418094505 /nfs/dbraw/zinc/09/45/05/1418094505.db2.gz GANWNVJWMVXUED-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CCC1(C(=O)N(C)CCN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001704875200 1418197013 /nfs/dbraw/zinc/19/70/13/1418197013.db2.gz JNUOYYBZHJTNOB-UHFFFAOYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C1CCC(C(=O)N(C)[C@@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001718139441 1422104050 /nfs/dbraw/zinc/10/40/50/1422104050.db2.gz WMXKXOVYYIIOCK-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001718733734 1422450268 /nfs/dbraw/zinc/45/02/68/1422450268.db2.gz JUMMROOBJBLCTA-KGLIPLIRSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001718733732 1422450550 /nfs/dbraw/zinc/45/05/50/1422450550.db2.gz JUMMROOBJBLCTA-KBPBESRZSA-N -1 3 330.428 2.619 10 30 EFEEHM C#CCCCCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001719351222 1422682481 /nfs/dbraw/zinc/68/24/81/1422682481.db2.gz YOZBXVKOQUPREC-IAGOWNOFSA-N -1 3 342.439 2.743 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001719418272 1422714921 /nfs/dbraw/zinc/71/49/21/1422714921.db2.gz AGOKEESXEMDIOB-FZNQNYSPSA-N -1 3 342.439 2.785 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720375118 1422893123 /nfs/dbraw/zinc/89/31/23/1422893123.db2.gz OZCIHXFIHMVFGE-GJZGRUSLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720375120 1422893918 /nfs/dbraw/zinc/89/39/18/1422893918.db2.gz OZCIHXFIHMVFGE-LSDHHAIUSA-N -1 3 330.428 2.667 10 30 EFEEHM CC(C)C#CC(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720573584 1423038843 /nfs/dbraw/zinc/03/88/43/1423038843.db2.gz SLCSPLKLHHLWBY-NVXWUHKLSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CCC1(C(=O)N[C@H]2C[C@@H](NC(=O)c3ccccc3[O-])C2)CCCC1 ZINC001720816360 1423219533 /nfs/dbraw/zinc/21/95/33/1423219533.db2.gz ILQGZCGOFAMRJQ-GASCZTMLSA-N -1 3 342.439 2.906 10 30 EFEEHM CC#CCCCC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721440950 1423727862 /nfs/dbraw/zinc/72/78/62/1423727862.db2.gz FCOBVKJIOQIDLJ-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001721636408 1423887467 /nfs/dbraw/zinc/88/74/67/1423887467.db2.gz ILEKHMUHPKWFKO-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C#CCC1(C(=O)N[C@@H](C)CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001721943723 1424080851 /nfs/dbraw/zinc/08/08/51/1424080851.db2.gz YPWIPAFNIFESHR-HNNXBMFYSA-N -1 3 342.439 2.601 10 30 EFEEHM C#C[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000893734048 720069991 /nfs/dbraw/zinc/06/99/91/720069991.db2.gz DZZUCPJVJQPQQI-LBPRGKRZSA-N -1 3 337.217 2.852 10 30 EFEEHM C/C=C/C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000907400330 726928559 /nfs/dbraw/zinc/92/85/59/726928559.db2.gz MJRYGXBDCULQAY-LYKUJDHUSA-N -1 3 336.338 2.664 10 30 EFEEHM C#C[C@@H](CCC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000907706629 726996912 /nfs/dbraw/zinc/99/69/12/726996912.db2.gz FKJQUCMVINEDGZ-VIFPVBQESA-N -1 3 331.160 2.854 10 30 EFEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)C(C)C ZINC000907965350 727066106 /nfs/dbraw/zinc/06/61/06/727066106.db2.gz DMUNTZZVBAMTDM-SNVBAGLBSA-N -1 3 331.160 2.710 10 30 EFEEHM COCc1nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)cs1 ZINC000908283978 727151013 /nfs/dbraw/zinc/15/10/13/727151013.db2.gz OIULGEXPNWISCK-UHFFFAOYSA-N -1 3 337.351 2.569 10 30 EFEEHM COc1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000912933609 727760648 /nfs/dbraw/zinc/76/06/48/727760648.db2.gz LVUBOPOSIBWJDN-UHFFFAOYSA-N -1 3 337.379 2.687 10 30 EFEEHM C=C(Cl)CNCCN(Cc1ccccc1)C(=O)c1ncccc1[O-] ZINC001569868406 1085696729 /nfs/dbraw/zinc/69/67/29/1085696729.db2.gz VDRHCPGQOPDZMJ-UHFFFAOYSA-N -1 3 345.830 2.772 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572030268 1087266844 /nfs/dbraw/zinc/26/68/44/1087266844.db2.gz GLWHPHPKTXFZJT-GJZGRUSLSA-N -1 3 330.428 2.906 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)C1CC(NC(=O)c2ccccc2[O-])C1 ZINC001572562723 1087533863 /nfs/dbraw/zinc/53/38/63/1087533863.db2.gz IHEGJDLFZGITHX-UHFFFAOYSA-N -1 3 330.428 2.714 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C ZINC001572620536 1087567493 /nfs/dbraw/zinc/56/74/93/1087567493.db2.gz GODUOOLUONGDNF-CVEARBPZSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001573160002 1087702910 /nfs/dbraw/zinc/70/29/10/1087702910.db2.gz UIKOPKRJYFAZLN-JKSUJKDBSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCCCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001573703947 1087875787 /nfs/dbraw/zinc/87/57/87/1087875787.db2.gz YYLQPLWYMGXTIN-QRWLVFNGSA-N -1 3 342.439 2.669 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001582958845 1091827283 /nfs/dbraw/zinc/82/72/83/1091827283.db2.gz NARJQPIVTXFGMC-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc(C3CCCC3)no2)c1 ZINC001587204863 1092791307 /nfs/dbraw/zinc/79/13/07/1092791307.db2.gz BHGTYAYCUBWPKV-UHFFFAOYSA-N -1 3 326.356 2.642 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC001587445088 1092813275 /nfs/dbraw/zinc/81/32/75/1092813275.db2.gz UWBLIZLOTHKYNO-CYBMUJFWSA-N -1 3 339.395 2.791 10 30 EFEEHM COC(=O)N[C@@H](CC(C)C)C(=O)N([O-])Cc1ccccc1Cl ZINC001651226366 1093542365 /nfs/dbraw/zinc/54/23/65/1093542365.db2.gz WQIPFSYSJSNOKN-ZDUSSCGKSA-N -1 3 328.796 2.829 10 30 EFEEHM CCCCCCN([O-])C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001651228029 1093542499 /nfs/dbraw/zinc/54/24/99/1093542499.db2.gz WEKLKQNCOICZFZ-AWEZNQCLSA-N -1 3 344.452 2.811 10 30 EFEEHM CC(C)(C)c1nc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)co1 ZINC001651270748 1093547610 /nfs/dbraw/zinc/54/76/10/1093547610.db2.gz JXGHOOIQROQBBN-UHFFFAOYSA-N -1 3 336.355 2.881 10 30 EFEEHM O=C(/C=C\c1ccc(F)cc1)C(=O)[N-]c1nncn1-c1ccccc1 ZINC001596554712 1094536431 /nfs/dbraw/zinc/53/64/31/1094536431.db2.gz KVQFLMAEXRRPBB-FLIBITNWSA-N -1 3 336.326 2.627 10 30 EFEEHM C=CCNC(=O)c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001596954766 1094556091 /nfs/dbraw/zinc/55/60/91/1094556091.db2.gz XHCWXMXNBIVYSQ-UHFFFAOYSA-N -1 3 328.343 2.628 10 30 EFEEHM C#C[C@H](NC(=O)c1cc(NC(=O)C=C)ccc1[O-])c1ccc(F)cc1 ZINC001624784358 1099730850 /nfs/dbraw/zinc/73/08/50/1099730850.db2.gz HEHKATUAEGBGHU-INIZCTEOSA-N -1 3 338.338 2.760 10 30 EFEEHM N#Cc1ccc(NCCNC(=O)c2cc3sccc3c([O-])c2)nc1 ZINC001625280515 1099790448 /nfs/dbraw/zinc/79/04/48/1099790448.db2.gz WZWYGYFVBMNSJA-UHFFFAOYSA-N -1 3 338.392 2.715 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001628214924 1100077153 /nfs/dbraw/zinc/07/71/53/1100077153.db2.gz GQQKCTUYLJVSMU-UHFFFAOYSA-N -1 3 328.278 2.871 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001629011874 1100159533 /nfs/dbraw/zinc/15/95/33/1100159533.db2.gz CTDKKYPHBLOXBW-UHFFFAOYSA-N -1 3 332.367 2.536 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001629011874 1100159540 /nfs/dbraw/zinc/15/95/40/1100159540.db2.gz CTDKKYPHBLOXBW-UHFFFAOYSA-N -1 3 332.367 2.536 10 30 EFEEHM N#Cc1ccc(CNC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)s1 ZINC001630288755 1100289834 /nfs/dbraw/zinc/28/98/34/1100289834.db2.gz CXONLZZOUMZTLL-UHFFFAOYSA-N -1 3 345.330 2.669 10 30 EFEEHM N#Cc1cccc(C(=O)Nc2ccc(O)cc2[O-])c1Br ZINC001633466568 1100543746 /nfs/dbraw/zinc/54/37/46/1100543746.db2.gz BIMLNKFXRHVOES-UHFFFAOYSA-N -1 3 333.141 2.984 10 30 EFEEHM C#CCCOc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001633697144 1100559119 /nfs/dbraw/zinc/55/91/19/1100559119.db2.gz GVALYSJSWKMFNZ-UHFFFAOYSA-N -1 3 349.390 2.618 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1c(F)cccc1Sc1ccccc1 ZINC001636353229 1100715335 /nfs/dbraw/zinc/71/53/35/1100715335.db2.gz UPDFVFATZQQSLE-ZDUSSCGKSA-N -1 3 346.383 2.697 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC001637460674 1100784271 /nfs/dbraw/zinc/78/42/71/1100784271.db2.gz WYLCPPRWIOHJJM-LBPRGKRZSA-N -1 3 336.800 2.788 10 30 EFEEHM Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(C#N)n1C ZINC001637610292 1100793803 /nfs/dbraw/zinc/79/38/03/1100793803.db2.gz OBWHJVFZFXXARD-UHFFFAOYSA-N -1 3 334.173 2.926 10 30 EFEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001637750032 1100803756 /nfs/dbraw/zinc/80/37/56/1100803756.db2.gz UINYYZAZHSCOTB-UHFFFAOYSA-N -1 3 347.313 2.611 10 30 EFEEHM N#Cc1c2ccccc2[nH]c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001637750032 1100803758 /nfs/dbraw/zinc/80/37/58/1100803758.db2.gz UINYYZAZHSCOTB-UHFFFAOYSA-N -1 3 347.313 2.611 10 30 EFEEHM CCCCCCCC[C@@H](O)CCC(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001638903485 1100897585 /nfs/dbraw/zinc/89/75/85/1100897585.db2.gz JRBMMNKMHVPECN-OAHLLOKOSA-N -1 3 349.475 2.959 10 30 EFEEHM O=C(Cc1ccc(-n2cnnc2)cc1)N([O-])Cc1ccccc1Cl ZINC001639058857 1100908498 /nfs/dbraw/zinc/90/84/98/1100908498.db2.gz VKGMXMDKJVCZGM-UHFFFAOYSA-N -1 3 342.786 2.881 10 30 EFEEHM CCCCN([O-])C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC001639072102 1100910251 /nfs/dbraw/zinc/91/02/51/1100910251.db2.gz UMGNCNXOZSJPCL-UHFFFAOYSA-N -1 3 328.294 2.918 10 30 EFEEHM O=C(c1cccn2c(=O)[nH]nc12)N([O-])Cc1cccc2ccccc21 ZINC001639075085 1100911116 /nfs/dbraw/zinc/91/11/16/1100911116.db2.gz IOCNLVMRCSIHGN-UHFFFAOYSA-N -1 3 334.335 2.620 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001639688490 1100973730 /nfs/dbraw/zinc/97/37/30/1100973730.db2.gz VUCQCKVSFQHJSL-QGHHPUGFSA-N -1 3 348.349 2.517 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OCC ZINC001671199856 1101154453 /nfs/dbraw/zinc/15/44/53/1101154453.db2.gz WAICCFSYHSMWCU-CQSZACIVSA-N -1 3 331.478 2.774 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)C[C@H]2CCc3sccc3C2=O)c1 ZINC001642628920 1101229112 /nfs/dbraw/zinc/22/91/12/1101229112.db2.gz YITPKWGZTXBRCO-GFCCVEGCSA-N -1 3 326.377 2.865 10 30 EFEEHM C#CCC1(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC001652798091 1101548321 /nfs/dbraw/zinc/54/83/21/1101548321.db2.gz CPRFCMXUFKBXPS-SNVBAGLBSA-N -1 3 328.338 2.975 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 ZINC001654819640 1101759429 /nfs/dbraw/zinc/75/94/29/1101759429.db2.gz LBUSMXIYJSBLJI-HNNXBMFYSA-N -1 3 329.400 2.709 10 30 EFEEHM CCCCCCN([O-])C(=O)CN1CC[C@@H](c2ccccc2)NC1=O ZINC001654819724 1101759647 /nfs/dbraw/zinc/75/96/47/1101759647.db2.gz OJRZAIRDMJCTFI-INIZCTEOSA-N -1 3 333.432 2.941 10 30 EFEEHM C=CCCSCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001655938543 1101914794 /nfs/dbraw/zinc/91/47/94/1101914794.db2.gz LYRXLTHUQMBFJD-UHFFFAOYSA-N -1 3 348.421 2.630 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OC ZINC001656973693 1102276671 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C#C[C@@](C)(CC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC001669325547 1105472411 /nfs/dbraw/zinc/47/24/11/1105472411.db2.gz NBPBANNSBHMBNZ-ZDUSSCGKSA-N -1 3 349.861 2.577 10 30 EFEEHM CCCCCCCN1CCOC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001673026861 1105961200 /nfs/dbraw/zinc/96/12/00/1105961200.db2.gz IFMADLWOTLZOQY-MRXNPFEDSA-N -1 3 334.460 2.793 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233167 1106356364 /nfs/dbraw/zinc/35/63/64/1106356364.db2.gz HZXKSFNMIMLPCE-ACJLOTCBSA-N -1 3 332.448 2.603 10 30 EFEEHM O=C(c1ccnc(O[C@@H]2CCOC2)c1)N([O-])Cc1ccccc1Cl ZINC000904189877 1107703359 /nfs/dbraw/zinc/70/33/59/1107703359.db2.gz CIMOJQGMPFHDDZ-CQSZACIVSA-N -1 3 348.786 2.934 10 30 EFEEHM CO[C@@H]1CCn2cc(C(=O)N([O-])CCCCc3ccccc3)nc2C1 ZINC000904195745 1107708432 /nfs/dbraw/zinc/70/84/32/1107708432.db2.gz JXYRTMCIAYQCEV-MRXNPFEDSA-N -1 3 343.427 2.699 10 30 EFEEHM O=C(COCc1cc[nH]c(=O)c1)N([O-])CCCCc1ccccc1 ZINC000904195696 1107708571 /nfs/dbraw/zinc/70/85/71/1107708571.db2.gz JGYLVVRNQBAHQA-UHFFFAOYSA-N -1 3 330.384 2.545 10 30 EFEEHM CS(=O)(=O)c1ccc(C(=O)N([O-])CCCCc2ccccc2)o1 ZINC000904196922 1107709584 /nfs/dbraw/zinc/70/95/84/1107709584.db2.gz KPUYWKKDEOIMIM-UHFFFAOYSA-N -1 3 337.397 2.537 10 30 EFEEHM Cc1nc(C)c(CCC(=O)N(O)CCCCc2ccccc2)c(=O)[n-]1 ZINC000904200886 1107712946 /nfs/dbraw/zinc/71/29/46/1107712946.db2.gz HVDCBSWLUBSGQK-UHFFFAOYSA-N -1 3 343.427 2.972 10 30 EFEEHM CCCCCCN([O-])C(=O)CCc1c(C)nc2c(C#N)cnn2c1C ZINC000904205226 1107716849 /nfs/dbraw/zinc/71/68/49/1107716849.db2.gz CAOICDHFRJKUTK-UHFFFAOYSA-N -1 3 343.431 2.949 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000904204778 1107717158 /nfs/dbraw/zinc/71/71/58/1107717158.db2.gz UYNVYUWVLYDKFE-ZDUSSCGKSA-N -1 3 327.446 2.992 10 30 EFEEHM CCCCCCN([O-])C(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O ZINC000904205608 1107719375 /nfs/dbraw/zinc/71/93/75/1107719375.db2.gz PEJYCPMAXFGFHN-UHFFFAOYSA-N -1 3 348.447 2.609 10 30 EFEEHM CCCCCCN([O-])C(=O)CNC(=O)c1ccc(Br)o1 ZINC000904205632 1107720612 /nfs/dbraw/zinc/72/06/12/1107720612.db2.gz QCASVDXEALSZKY-UHFFFAOYSA-N -1 3 347.209 2.570 10 30 EFEEHM C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001680636372 1107994046 /nfs/dbraw/zinc/99/40/46/1107994046.db2.gz UYXOLWYXVBEBEC-GOEBONIOSA-N -1 3 330.428 2.858 10 30 EFEEHM CC(C)(C)n1cc(CN=Cc2cc(Cl)ccc2[O-])c(=O)[nH]c1=O ZINC000905001142 1108319191 /nfs/dbraw/zinc/31/91/91/1108319191.db2.gz FFDWWLJMPCMYPS-CNHKJKLMSA-N -1 3 335.791 2.682 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001682123876 1108577594 /nfs/dbraw/zinc/57/75/94/1108577594.db2.gz IWFGQLGAQFVPHA-CABCVRRESA-N -1 3 344.455 2.819 10 30 EFEEHM COc1ccc([C@@H](NC(C)C)C(=O)[N-]Oc2cccc(C#N)c2)cc1 ZINC000899166192 1109229532 /nfs/dbraw/zinc/22/95/32/1109229532.db2.gz LCWIDKNQGMCBON-GOSISDBHSA-N -1 3 339.395 2.716 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CCCC[C@H]2C1 ZINC000052895179 214153530 /nfs/dbraw/zinc/15/35/30/214153530.db2.gz XDUZWTSIYHKMOP-CVEARBPZSA-N -1 3 341.455 2.835 10 30 EFEEHM CN(C)C=Nc1n[n-]c(Sc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000004300573 210163265 /nfs/dbraw/zinc/16/32/65/210163265.db2.gz LZOQDXBSRRGEKW-AWNIVKPZSA-N -1 3 326.769 2.739 10 30 EFEEHM CN(C)C=Nc1nc(Sc2c(Cl)cccc2[N+](=O)[O-])n[n-]1 ZINC000004300573 210163268 /nfs/dbraw/zinc/16/32/68/210163268.db2.gz LZOQDXBSRRGEKW-AWNIVKPZSA-N -1 3 326.769 2.739 10 30 EFEEHM CN(C)C=Nc1nnc(Sc2c(Cl)cccc2[N+](=O)[O-])[n-]1 ZINC000004300573 210163270 /nfs/dbraw/zinc/16/32/70/210163270.db2.gz LZOQDXBSRRGEKW-AWNIVKPZSA-N -1 3 326.769 2.739 10 30 EFEEHM CC[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302500379 241194132 /nfs/dbraw/zinc/19/41/32/241194132.db2.gz WXRUMHSOJMCPQC-SSDOTTSWSA-N -1 3 337.626 2.683 10 30 EFEEHM CCN1CCC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000328671591 241216559 /nfs/dbraw/zinc/21/65/59/241216559.db2.gz HIZGIGMGJJXRSO-AWEZNQCLSA-N -1 3 330.432 2.649 10 30 EFEEHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nccc2ccccc21 ZINC000361530625 242225072 /nfs/dbraw/zinc/22/50/72/242225072.db2.gz ZNXMOITWNYRUPN-KRWDZBQOSA-N -1 3 340.346 2.701 10 30 EFEEHM COC(=O)c1c2c(sc1[N-]C(=O)c1sccc1C#N)COCC2 ZINC000416093506 244506695 /nfs/dbraw/zinc/50/66/95/244506695.db2.gz MDBGJJOUPVTPIY-UHFFFAOYSA-N -1 3 348.405 2.793 10 30 EFEEHM COC1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000443358276 250189096 /nfs/dbraw/zinc/18/90/96/250189096.db2.gz HRMCGJYNQDSJDR-UHFFFAOYSA-N -1 3 342.848 2.695 10 30 EFEEHM C[C@H](C#N)CN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444020124 250249638 /nfs/dbraw/zinc/24/96/38/250249638.db2.gz DVFUWYLRJUUMJS-SECBINFHSA-N -1 3 348.200 2.522 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000343604899 145250137 /nfs/dbraw/zinc/25/01/37/145250137.db2.gz UYAWTOHUCMUCBX-MRXNPFEDSA-N -1 3 346.383 2.726 10 30 EFEEHM CC(=C([O-])Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(F)(F)F ZINC000360247788 148310089 /nfs/dbraw/zinc/31/00/89/148310089.db2.gz 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ZINC000295701877 270025285 /nfs/dbraw/zinc/02/52/85/270025285.db2.gz KAROUIIVCOTFCP-AAEUAGOBSA-N -1 3 347.362 2.743 10 30 EFEEHM N#Cc1ccc(CN[C@@H](CN2CCCc3ccccc32)C(=O)[O-])cc1 ZINC000426742285 270028137 /nfs/dbraw/zinc/02/81/37/270028137.db2.gz ORIBCFNQEIJZCM-SFHVURJKSA-N -1 3 335.407 2.554 10 30 EFEEHM C[C@H]1CCN(Cc2ccc(C#N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000287194988 267216144 /nfs/dbraw/zinc/21/61/44/267216144.db2.gz DEOLTXKGXRBSRF-HUBLWGQQSA-N -1 3 339.361 2.836 10 30 EFEEHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)C(C)C)c1 ZINC000528558559 268056300 /nfs/dbraw/zinc/05/63/00/268056300.db2.gz YZTUYDXTWIQELS-KRWDZBQOSA-N -1 3 329.425 2.937 10 30 EFEEHM N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cccc([O-])c3)CC2)c1 ZINC000272747885 268265162 /nfs/dbraw/zinc/26/51/62/268265162.db2.gz JIWVYLIRFBMBKR-UHFFFAOYSA-N -1 3 349.390 2.755 10 30 EFEEHM N#Cc1cccc(CC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)c1 ZINC000530919279 268278898 /nfs/dbraw/zinc/27/88/98/268278898.db2.gz GFXGQDSNXZDQLA-UHFFFAOYSA-N -1 3 339.305 2.803 10 30 EFEEHM N#Cc1cccc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)c1 ZINC000530919279 268278899 /nfs/dbraw/zinc/27/88/99/268278899.db2.gz GFXGQDSNXZDQLA-UHFFFAOYSA-N -1 3 339.305 2.803 10 30 EFEEHM N#Cc1cccc(CC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000530919279 268278900 /nfs/dbraw/zinc/27/89/00/268278900.db2.gz GFXGQDSNXZDQLA-UHFFFAOYSA-N -1 3 339.305 2.803 10 30 EFEEHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(Cc2cccc(F)c2)n1 ZINC000180876480 310804986 /nfs/dbraw/zinc/80/49/86/310804986.db2.gz TUMYXDRZAJBARE-UHFFFAOYSA-N -1 3 327.344 2.720 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCOC[C@H]2C)no1 ZINC000350604283 311812904 /nfs/dbraw/zinc/81/29/04/311812904.db2.gz WADOXOYKRIWGEN-MFKMUULPSA-N -1 3 342.399 2.584 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000578442989 320207064 /nfs/dbraw/zinc/20/70/64/320207064.db2.gz RICSOISXSICDDE-MRXNPFEDSA-N -1 3 338.429 2.512 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000625327635 479868610 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O=c1c(C=NC2CC2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000102778123 472592677 /nfs/dbraw/zinc/59/26/77/472592677.db2.gz BTWSVSVQBFIJNC-WSVATBPTSA-N -1 3 340.261 2.674 10 30 EFEEHM N#Cc1ccc(F)c(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000132892383 472761597 /nfs/dbraw/zinc/76/15/97/472761597.db2.gz QCTWDXVTDCVGLQ-UHFFFAOYSA-N -1 3 342.754 2.968 10 30 EFEEHM N#CCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000120958262 472774181 /nfs/dbraw/zinc/77/41/81/472774181.db2.gz MEJAHNLKRVYIFI-KRWDZBQOSA-N -1 3 349.390 2.702 10 30 EFEEHM C=CCN(Cc1nc2c(cnn2C)c(=O)[n-]1)[C@@H]1CCc2ccccc21 ZINC000065422330 472937814 /nfs/dbraw/zinc/93/78/14/472937814.db2.gz SBSSFPVLODEGHZ-MRXNPFEDSA-N -1 3 335.411 2.744 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)cn2)c1 ZINC000185683851 473487553 /nfs/dbraw/zinc/48/75/53/473487553.db2.gz FPYDRGHZGAVSET-UHFFFAOYSA-N -1 3 342.207 2.739 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCc1ccccn1 ZINC000178870616 473581603 /nfs/dbraw/zinc/58/16/03/473581603.db2.gz 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474399562 /nfs/dbraw/zinc/39/95/62/474399562.db2.gz UPGMZMRMQFFFQX-ZDUSSCGKSA-N -1 3 334.784 2.624 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3C)CCC2)n1 ZINC000267107555 474591229 /nfs/dbraw/zinc/59/12/29/474591229.db2.gz XTAWUMAYHLINMC-UHFFFAOYSA-N -1 3 347.465 2.989 10 30 EFEEHM O=C1[N-]C(=NN=Cc2ccccc2O)S[C@H]1Cc1ccccc1 ZINC000252626071 474700334 /nfs/dbraw/zinc/70/03/34/474700334.db2.gz QVRZSFPZCRZFBQ-HNNXBMFYSA-N -1 3 325.393 2.556 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000293070927 474798607 /nfs/dbraw/zinc/79/86/07/474798607.db2.gz CVIFLOZTYDJYEZ-GFCCVEGCSA-N -1 3 328.746 2.773 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000273356578 474856843 /nfs/dbraw/zinc/85/68/43/474856843.db2.gz DNJYHEOAGLTNQH-CYBMUJFWSA-N -1 3 332.408 2.720 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000273356578 474856851 /nfs/dbraw/zinc/85/68/51/474856851.db2.gz DNJYHEOAGLTNQH-CYBMUJFWSA-N -1 3 332.408 2.720 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1C#N ZINC000319751094 474903667 /nfs/dbraw/zinc/90/36/67/474903667.db2.gz URSCXTYTOPVZNK-UHFFFAOYSA-N -1 3 332.772 2.588 10 30 EFEEHM O=S(=O)(c1ccc(N=Cc2ccccc2[O-])cc1)N1CCCC1 ZINC000257352396 474966940 /nfs/dbraw/zinc/96/69/40/474966940.db2.gz KZWQFIDEJZSWPD-UHFFFAOYSA-N -1 3 330.409 2.927 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000279718136 474987629 /nfs/dbraw/zinc/98/76/29/474987629.db2.gz IQLNIOLSCOWQOB-UHFFFAOYSA-N -1 3 334.235 2.702 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000293668428 475046713 /nfs/dbraw/zinc/04/67/13/475046713.db2.gz MNAPGCKUJNFJAW-LLVKDONJSA-N -1 3 328.746 2.773 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000286081453 475051544 /nfs/dbraw/zinc/05/15/44/475051544.db2.gz AFZOIAVPIUXPPI-MRXNPFEDSA-N -1 3 339.391 2.774 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000292786299 475195511 /nfs/dbraw/zinc/19/55/11/475195511.db2.gz JTFBXGMYLYOHGR-PBHICJAKSA-N -1 3 349.381 2.712 10 30 EFEEHM C[C@H](CC[S@](C)=O)NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331226008 475325076 /nfs/dbraw/zinc/32/50/76/475325076.db2.gz FIHIFMUNWYXMNW-STFLBKPXSA-N -1 3 325.430 2.567 10 30 EFEEHM CSc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cnn1C ZINC000361480642 475485709 /nfs/dbraw/zinc/48/57/09/475485709.db2.gz DIQFJDXJVCBZTL-JTQLQIEISA-N -1 3 325.397 2.817 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)[n-]1 ZINC000352689472 475533490 /nfs/dbraw/zinc/53/34/90/475533490.db2.gz ZZYKXHVIFDABJW-UHFFFAOYSA-N -1 3 334.339 2.681 10 30 EFEEHM COc1nc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n[n-]1 ZINC000352689472 475533499 /nfs/dbraw/zinc/53/34/99/475533499.db2.gz ZZYKXHVIFDABJW-UHFFFAOYSA-N -1 3 334.339 2.681 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n1 ZINC000352689472 475533510 /nfs/dbraw/zinc/53/35/10/475533510.db2.gz ZZYKXHVIFDABJW-UHFFFAOYSA-N -1 3 334.339 2.681 10 30 EFEEHM COC(=O)c1ccc(C([O-])=C(C#N)c2nccc3ccccc32)n1C ZINC000346233628 475574036 /nfs/dbraw/zinc/57/40/36/475574036.db2.gz BQARIJKQLFIIRO-AWEZNQCLSA-N -1 3 333.347 2.850 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)N=c3cc(-c4ccncc4)[n-][nH]3)CC2)c1 ZINC000352738654 475579611 /nfs/dbraw/zinc/57/96/11/475579611.db2.gz JUFGDMYOBWNRRR-UHFFFAOYSA-N -1 3 347.353 2.575 10 30 EFEEHM COCc1ccccc1CS(=O)(=O)[N-][C@@]1(C#N)CCC[C@H](C)C1 ZINC000342430861 475598685 /nfs/dbraw/zinc/59/86/85/475598685.db2.gz DIPSNSJZBMYMLM-YOEHRIQHSA-N -1 3 336.457 2.725 10 30 EFEEHM COCc1ccccc1CS(=O)(=O)[N-][C@]1(C#N)CCC[C@H](C)C1 ZINC000342430860 475598894 /nfs/dbraw/zinc/59/88/94/475598894.db2.gz DIPSNSJZBMYMLM-WMLDXEAASA-N -1 3 336.457 2.725 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1cncc(Br)c1 ZINC000342558205 475611917 /nfs/dbraw/zinc/61/19/17/475611917.db2.gz FMLQITXOLJBIKK-UHFFFAOYSA-N -1 3 327.207 2.620 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C)cs1 ZINC000352861652 475659133 /nfs/dbraw/zinc/65/91/33/475659133.db2.gz JJCAKGCDXDGEOX-GFCCVEGCSA-N -1 3 327.475 2.906 10 30 EFEEHM C=CCOc1ccc(C(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)cc1OC ZINC000352989780 475675690 /nfs/dbraw/zinc/67/56/90/475675690.db2.gz RNRHMCWKXYSDPK-CQSZACIVSA-N -1 3 343.383 2.509 10 30 EFEEHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2ccc(F)cc2C#N)cn1 ZINC000338441868 475907331 /nfs/dbraw/zinc/90/73/31/475907331.db2.gz YFQZYVHHMHKRKW-UHFFFAOYSA-N -1 3 342.330 2.695 10 30 EFEEHM COC(=O)CCSc1ncccc1[N-]C(=O)c1sccc1C#N ZINC000346860393 475920571 /nfs/dbraw/zinc/92/05/71/475920571.db2.gz IEJZPMIHLKPPKW-UHFFFAOYSA-N -1 3 347.421 2.922 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)CC3(C#N)CCC3)CCCC2)n1 ZINC000349621916 475980002 /nfs/dbraw/zinc/98/00/02/475980002.db2.gz CJGDMNSOJWVREC-UHFFFAOYSA-N -1 3 339.486 2.834 10 30 EFEEHM C=C(C[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)OC)c1ccccc1 ZINC000349885822 476015407 /nfs/dbraw/zinc/01/54/07/476015407.db2.gz XAIMAFOJWOCXOX-UHFFFAOYSA-N -1 3 349.408 2.675 10 30 EFEEHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000344186279 476167793 /nfs/dbraw/zinc/16/77/93/476167793.db2.gz DSDWOLJBTOTCEF-SECBINFHSA-N -1 3 341.230 2.850 10 30 EFEEHM COc1ccc2c(c1)CCC[C@@]2(NCc1ccc(C#N)cc1)C(=O)[O-] ZINC000336884819 476175827 /nfs/dbraw/zinc/17/58/27/476175827.db2.gz CHPQFXDISUUZNC-FQEVSTJZSA-N -1 3 336.391 2.973 10 30 EFEEHM COc1ccc2c(c1)CCC[C@]2(NCc1cccc(C#N)c1)C(=O)[O-] ZINC000336885359 476177022 /nfs/dbraw/zinc/17/70/22/476177022.db2.gz DGUNKOPPNPQTNS-HXUWFJFHSA-N -1 3 336.391 2.973 10 30 EFEEHM N#CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000352176092 476528120 /nfs/dbraw/zinc/52/81/20/476528120.db2.gz ZUYXHWKTXKGYQV-QGZVFWFLSA-N -1 3 347.374 2.735 10 30 EFEEHM Cc1cc(C#N)cc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000456973630 476811332 /nfs/dbraw/zinc/81/13/32/476811332.db2.gz WLNCRBIBNJNVEF-QGZVFWFLSA-N -1 3 349.390 2.816 10 30 EFEEHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000408405315 476950695 /nfs/dbraw/zinc/95/06/95/476950695.db2.gz QLEZZENEDVKERS-KCJUWKMLSA-N -1 3 347.209 2.559 10 30 EFEEHM N#CC[C@@H]1CC[C@H](NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000452555556 476999250 /nfs/dbraw/zinc/99/92/50/476999250.db2.gz JDYKFVSFZWRUDI-ONGXEEELSA-N -1 3 331.322 2.618 10 30 EFEEHM N#CC[C@@H]1CC[C@H](NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000452556445 477000105 /nfs/dbraw/zinc/00/01/05/477000105.db2.gz LIPKWIKDWCDPCP-GWCFXTLKSA-N -1 3 337.217 2.896 10 30 EFEEHM COC(=O)c1cc([N-]C(=O)c2cscc2C#N)c(C)c([N+](=O)[O-])c1 ZINC000432237072 477182094 /nfs/dbraw/zinc/18/20/94/477182094.db2.gz DAEZOTNYQGUUSL-UHFFFAOYSA-N -1 3 345.336 2.875 10 30 EFEEHM COc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)ccc1C#N ZINC000417559767 477455615 /nfs/dbraw/zinc/45/56/15/477455615.db2.gz ANDCEJQIJNBBQO-IBGZPJMESA-N -1 3 340.354 2.722 10 30 EFEEHM COc1cc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)ccc1C#N ZINC000417559768 477456386 /nfs/dbraw/zinc/45/63/86/477456386.db2.gz ANDCEJQIJNBBQO-LJQANCHMSA-N -1 3 340.354 2.722 10 30 EFEEHM N#CC[C@H](CC(=O)N=c1cc(-c2ccncc2)[n-][nH]1)c1ccccc1 ZINC000377085625 477636136 /nfs/dbraw/zinc/63/61/36/477636136.db2.gz BKYDHVNXLGXIQA-MRXNPFEDSA-N -1 3 331.379 2.920 10 30 EFEEHM C=CCC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000436947547 477644491 /nfs/dbraw/zinc/64/44/91/477644491.db2.gz YYXHQOKCXLCHEP-HNNXBMFYSA-N -1 3 330.428 2.715 10 30 EFEEHM N#CCC1(CS(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)CC1 ZINC000450999287 477787792 /nfs/dbraw/zinc/78/77/92/477787792.db2.gz NASNGBPNULVLOR-MRXNPFEDSA-N -1 3 330.409 2.982 10 30 EFEEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561520122 478191380 /nfs/dbraw/zinc/19/13/80/478191380.db2.gz ZNJZWQBSWVMPMB-JTQLQIEISA-N -1 3 345.262 2.891 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@@H]1CCCCO1 ZINC000594485650 478406009 /nfs/dbraw/zinc/40/60/09/478406009.db2.gz BEFHGVRGXLRPBY-KBPBESRZSA-N -1 3 342.848 2.838 10 30 EFEEHM N#CCCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594488003 478407058 /nfs/dbraw/zinc/40/70/58/478407058.db2.gz OOBWEYSTIQSWNV-HNNXBMFYSA-N -1 3 333.413 2.572 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@@H]1CCCCO1 ZINC000594487568 478407643 /nfs/dbraw/zinc/40/76/43/478407643.db2.gz NOKISIJAMNKZKK-KBPBESRZSA-N -1 3 342.848 2.838 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000594485855 478407803 /nfs/dbraw/zinc/40/78/03/478407803.db2.gz BYRJXBGFQOJJOA-KGLIPLIRSA-N -1 3 342.848 2.838 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCCCO1 ZINC000594486743 478407840 /nfs/dbraw/zinc/40/78/40/478407840.db2.gz HPVSHFQAFGJCCP-ZIAGYGMSSA-N -1 3 342.848 2.838 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600668774 478459343 /nfs/dbraw/zinc/45/93/43/478459343.db2.gz VIPCYJMBCKFBNM-ZBFHGGJFSA-N -1 3 342.436 2.761 10 30 EFEEHM Cc1cc(F)ccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000594800922 478545025 /nfs/dbraw/zinc/54/50/25/478545025.db2.gz JRRFMCRQINZTCV-NSHDSACASA-N -1 3 338.429 2.977 10 30 EFEEHM Cc1cc(F)ccc1C[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000594801648 478546198 /nfs/dbraw/zinc/54/61/98/478546198.db2.gz QPSGYAVJVRSUJL-LLVKDONJSA-N -1 3 338.429 2.977 10 30 EFEEHM CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594812976 478548558 /nfs/dbraw/zinc/54/85/58/478548558.db2.gz KBMFHTCJOCNQRX-JTQLQIEISA-N -1 3 325.390 2.569 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000563417669 478555567 /nfs/dbraw/zinc/55/55/67/478555567.db2.gz SFLQPLZNUGXICT-UHFFFAOYSA-N -1 3 331.409 2.868 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594884180 478570941 /nfs/dbraw/zinc/57/09/41/478570941.db2.gz JMDQMCBSLPELST-UHFFFAOYSA-N -1 3 337.832 2.964 10 30 EFEEHM CC(C)(C)c1cc(CS(=O)(=O)[N-]CC2(C#N)CCCCC2)no1 ZINC000594884320 478572475 /nfs/dbraw/zinc/57/24/75/478572475.db2.gz NXYOVHHZDQDTET-UHFFFAOYSA-N -1 3 339.461 2.866 10 30 EFEEHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1(F)F ZINC000595351508 478742476 /nfs/dbraw/zinc/74/24/76/478742476.db2.gz USLKFYGYKABLPQ-NSHDSACASA-N -1 3 334.775 2.781 10 30 EFEEHM CC(C)[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000595353280 478744066 /nfs/dbraw/zinc/74/40/66/478744066.db2.gz IZPBGBKLYLDVEF-ZWKOTPCHSA-N -1 3 344.436 2.595 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1)CC(F)(F)F ZINC000595418488 478768323 /nfs/dbraw/zinc/76/83/23/478768323.db2.gz RWQCNSZLYFHLJY-UHFFFAOYSA-N -1 3 338.326 2.954 10 30 EFEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000601414584 478825873 /nfs/dbraw/zinc/82/58/73/478825873.db2.gz BAHAHOWCYQCMKJ-UHFFFAOYSA-N -1 3 336.310 2.627 10 30 EFEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000544710514 478860341 /nfs/dbraw/zinc/86/03/41/478860341.db2.gz XVWAVUDCVOTGLA-NSHDSACASA-N -1 3 331.821 2.760 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2([C@H]3CCCCO3)CCC2)s1 ZINC000601514780 478860973 /nfs/dbraw/zinc/86/09/73/478860973.db2.gz AOXAAFRTMCCOAX-CYBMUJFWSA-N -1 3 340.470 2.637 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]C1(C#N)CCC(C(C)(C)C)CC1)C1CC1 ZINC000592383456 478877708 /nfs/dbraw/zinc/87/77/08/478877708.db2.gz VSIIIXMOUUPNJU-ISXOHVOVSA-N -1 3 342.505 2.829 10 30 EFEEHM CCCN(CC)Cc1ccc(C(=O)N=c2[n-]n(C)c(C)c2C#N)cc1 ZINC000592645260 478980693 /nfs/dbraw/zinc/98/06/93/478980693.db2.gz FVGXEPAZKURDAZ-UHFFFAOYSA-N -1 3 339.443 2.506 10 30 EFEEHM CN(C(=O)Cc1ccc(Br)cc1[O-])[C@H]1CCC[C@@H]1C#N ZINC000601817558 479018832 /nfs/dbraw/zinc/01/88/32/479018832.db2.gz JJZKGCLMHZUBKG-YPMHNXCESA-N -1 3 337.217 2.848 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000567366561 479106082 /nfs/dbraw/zinc/10/60/82/479106082.db2.gz CBHRSCFCMORCNO-UHFFFAOYSA-N -1 3 331.459 2.868 10 30 EFEEHM Cc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)nn1-c1cccc(C#N)c1 ZINC000592950296 479106256 /nfs/dbraw/zinc/10/62/56/479106256.db2.gz RSZPTIGJWJATHH-UHFFFAOYSA-N -1 3 348.410 2.882 10 30 EFEEHM C=C(C)[C@@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(F)c(F)c1 ZINC000547838177 479121478 /nfs/dbraw/zinc/12/14/78/479121478.db2.gz KIHZULWAPMYVIG-OAHLLOKOSA-N -1 3 336.342 2.568 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2coc(-c3cccs3)n2)CCC1 ZINC000548113091 479122237 /nfs/dbraw/zinc/12/22/37/479122237.db2.gz BOFWYGMOQNOJFM-UHFFFAOYSA-N -1 3 337.426 2.516 10 30 EFEEHM Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1C#N ZINC000599313694 479250056 /nfs/dbraw/zinc/25/00/56/479250056.db2.gz OJCZWAKINBQKON-UHFFFAOYSA-N -1 3 335.407 2.530 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1 ZINC000611025364 479265649 /nfs/dbraw/zinc/26/56/49/479265649.db2.gz UMLPPUXHVJAYBQ-NSHDSACASA-N -1 3 335.816 2.689 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccncc1 ZINC000611025325 479266466 /nfs/dbraw/zinc/26/64/66/479266466.db2.gz ITPQNKXIGUNRGZ-LLVKDONJSA-N -1 3 335.816 2.689 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2Cc3ccccc3CO2)CCCCC1 ZINC000599380455 479277716 /nfs/dbraw/zinc/27/77/16/479277716.db2.gz OYXMVUDGGRMJNQ-KRWDZBQOSA-N -1 3 348.468 2.521 10 30 EFEEHM CCC(F)(F)C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000599432007 479294267 /nfs/dbraw/zinc/29/42/67/479294267.db2.gz XZVRGFMRSLBRHS-UHFFFAOYSA-N -1 3 342.289 2.901 10 30 EFEEHM CCCOc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593531166 479378714 /nfs/dbraw/zinc/37/87/14/479378714.db2.gz DULYDTRJRCGZSO-UHFFFAOYSA-N -1 3 336.438 2.887 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCOc2ccccc21 ZINC000593540051 479382051 /nfs/dbraw/zinc/38/20/51/479382051.db2.gz IMWQGPSXNIPRTR-GFCCVEGCSA-N -1 3 334.422 2.812 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000593540449 479382500 /nfs/dbraw/zinc/38/25/00/479382500.db2.gz WXXXINMMTIYQMY-CJNGLKHVSA-N -1 3 348.449 2.818 10 30 EFEEHM CC(C)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1cccnc1 ZINC000593560101 479388218 /nfs/dbraw/zinc/38/82/18/479388218.db2.gz PDSHGTSIBUMEID-CYBMUJFWSA-N -1 3 335.454 2.733 10 30 EFEEHM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593562507 479388486 /nfs/dbraw/zinc/38/84/86/479388486.db2.gz MXKLPRPJCLSWBL-GFCCVEGCSA-N -1 3 334.422 2.594 10 30 EFEEHM CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593562649 479388847 /nfs/dbraw/zinc/38/88/47/479388847.db2.gz WGKWONCJSXGEKF-QWRGUYRKSA-N -1 3 330.500 2.962 10 30 EFEEHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1ccsc1C#N)OC ZINC000593565993 479389124 /nfs/dbraw/zinc/38/91/24/479389124.db2.gz DPCFHXUAISFZPC-LBPRGKRZSA-N -1 3 330.475 2.739 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCCC2)C1 ZINC000593564104 479389346 /nfs/dbraw/zinc/38/93/46/479389346.db2.gz KWQARKAJODRLMN-GFCCVEGCSA-N -1 3 340.470 2.780 10 30 EFEEHM COc1cccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CC2)c1 ZINC000593563913 479389601 /nfs/dbraw/zinc/38/96/01/479389601.db2.gz UDDMKAOELLQAGL-UHFFFAOYSA-N -1 3 334.422 2.596 10 30 EFEEHM N#Cc1c([N-]C(=O)c2cn(CC3CC3)nn2)sc2c1CCCC2 ZINC000575014928 479389747 /nfs/dbraw/zinc/38/97/47/479389747.db2.gz VGNZFSAFYAQBFA-UHFFFAOYSA-N -1 3 327.413 2.752 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000593568304 479390103 /nfs/dbraw/zinc/39/01/03/479390103.db2.gz UBNRAACGKGOQCA-UHOFOFEASA-N -1 3 330.434 2.626 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@@H](c1ccccc1)N(C)C ZINC000593579444 479392457 /nfs/dbraw/zinc/39/24/57/479392457.db2.gz ZDVMSPDWOQDHRR-WBMJQRKESA-N -1 3 349.481 2.589 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000593577121 479392798 /nfs/dbraw/zinc/39/27/98/479392798.db2.gz AHSPRSGVNHYETI-KBPBESRZSA-N -1 3 348.449 2.818 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000593606860 479400046 /nfs/dbraw/zinc/40/00/46/479400046.db2.gz DNVLIQNEFORURI-CQSZACIVSA-N -1 3 343.433 2.847 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccncc1 ZINC000611539715 479408938 /nfs/dbraw/zinc/40/89/38/479408938.db2.gz OIGWZMIWXCCEQZ-NSHDSACASA-N -1 3 335.816 2.689 10 30 EFEEHM N#CC(=C([O-])c1cc2[nH]cnc2cc1F)c1nnc2n1CCCCC2 ZINC000576658779 479582587 /nfs/dbraw/zinc/58/25/87/479582587.db2.gz YZZWHMFJIVBDIY-LLVKDONJSA-N -1 3 338.346 2.510 10 30 EFEEHM N#CC(=C([O-])c1cc2nc[nH]c2cc1F)c1nnc2n1CCCCC2 ZINC000576658779 479582591 /nfs/dbraw/zinc/58/25/91/479582591.db2.gz YZZWHMFJIVBDIY-LLVKDONJSA-N -1 3 338.346 2.510 10 30 EFEEHM N#CC1(CC(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000590316326 479628799 /nfs/dbraw/zinc/62/87/99/479628799.db2.gz MNCLYJAHJZRSDK-UHFFFAOYSA-N -1 3 342.136 2.629 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)CCCC1 ZINC000612678611 479729228 /nfs/dbraw/zinc/72/92/28/479729228.db2.gz UYNNDVJADJNQTF-ZDUSSCGKSA-N -1 3 340.832 2.777 10 30 EFEEHM C=CCC1(C(=O)NCc2ccc([O-])c3ncccc23)CCOCC1 ZINC000616019952 479809812 /nfs/dbraw/zinc/80/98/12/479809812.db2.gz HBIBCKJFTAZMEH-UHFFFAOYSA-N -1 3 326.396 2.930 10 30 EFEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C(F)F ZINC000619503010 479813295 /nfs/dbraw/zinc/81/32/95/479813295.db2.gz UKRBPPBBJXHORO-UHFFFAOYSA-N -1 3 342.289 2.899 10 30 EFEEHM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1c([O-])cccc1F ZINC000609851177 480213301 /nfs/dbraw/zinc/21/33/01/480213301.db2.gz PABTYUOJCLEUAC-UHFFFAOYSA-N -1 3 329.331 2.692 10 30 EFEEHM Cc1[n-][nH]c(=NC(=O)c2ccc(C#N)nc2)c1-c1cccc(Cl)c1 ZINC000610354524 480288192 /nfs/dbraw/zinc/28/81/92/480288192.db2.gz HSRQXUFYCWQGHR-UHFFFAOYSA-N -1 3 337.770 2.979 10 30 EFEEHM C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000617781450 480360813 /nfs/dbraw/zinc/36/08/13/480360813.db2.gz MTNKTFVCLDUHRW-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CC[C@H]1CCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640303173 481906259 /nfs/dbraw/zinc/90/62/59/481906259.db2.gz PXOWVCNWRZFVBM-VIFPVBQESA-N -1 3 336.745 2.951 10 30 EFEEHM C=C(C[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccccc1 ZINC000668203081 482030975 /nfs/dbraw/zinc/03/09/75/482030975.db2.gz VYVQPMKLDVEKJK-AWEZNQCLSA-N -1 3 331.441 2.772 10 30 EFEEHM CCCOC(=O)CSc1nnc(N=NC=CCc2ccccc2)[n-]1 ZINC000020595371 520214766 /nfs/dbraw/zinc/21/47/66/520214766.db2.gz IGBDBSWMHXNHHI-PNTUOKEUSA-N -1 3 345.428 2.961 10 30 EFEEHM CCCOC(=O)CSc1nc(N=NC=CCc2ccccc2)n[n-]1 ZINC000020595371 520214774 /nfs/dbraw/zinc/21/47/74/520214774.db2.gz IGBDBSWMHXNHHI-PNTUOKEUSA-N -1 3 345.428 2.961 10 30 EFEEHM CC(C)(C)n1cnc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)n1 ZINC000346474447 534964697 /nfs/dbraw/zinc/96/46/97/534964697.db2.gz DEOLFPBJIMAYBB-UHFFFAOYSA-N -1 3 338.293 2.571 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000355850632 536722766 /nfs/dbraw/zinc/72/27/66/536722766.db2.gz XQZGJBCETWYVHM-MRXNPFEDSA-N -1 3 336.457 2.768 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000655634871 546510631 /nfs/dbraw/zinc/51/06/31/546510631.db2.gz XDEMDCBGNJVIKK-GFCCVEGCSA-N -1 3 344.502 2.970 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000657147647 547044790 /nfs/dbraw/zinc/04/47/90/547044790.db2.gz CPXZHFCLWRVMAT-UHFFFAOYSA-N -1 3 341.326 2.716 10 30 EFEEHM [O-]c1c(O)ccc(/C=N/[C@@H]2CCN(c3c(F)cccc3F)C2)c1O ZINC000755031011 575532563 /nfs/dbraw/zinc/53/25/63/575532563.db2.gz DSFZJZZMRHKWKZ-VNQCRBAESA-N -1 3 334.322 2.779 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3c(F)cccc3F)C2)c1[O-] ZINC000755032001 575532629 /nfs/dbraw/zinc/53/26/29/575532629.db2.gz PIXVJTYJHDHGMU-WAXRZFIUSA-N -1 3 347.365 2.564 10 30 EFEEHM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000756762641 575784777 /nfs/dbraw/zinc/78/47/77/575784777.db2.gz VBHKIJLAIIMLMT-GFCCVEGCSA-N -1 3 340.379 2.910 10 30 EFEEHM Fc1cc(C=N[N-]c2[nH+]cnc3[n-]cnc32)ccc1Br ZINC000763168613 576365307 /nfs/dbraw/zinc/36/53/07/576365307.db2.gz IAYAOCDAZRGYDG-UHFFFAOYSA-N -1 3 335.140 2.701 10 30 EFEEHM COc1cccc([O-])c1/C=N/[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000763274960 576370580 /nfs/dbraw/zinc/37/05/80/576370580.db2.gz ATQVLHDVSSNDIU-HSWQHBDASA-N -1 3 337.379 2.618 10 30 EFEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000765585539 577056922 /nfs/dbraw/zinc/05/69/22/577056922.db2.gz BHZWQIHHQOHDTB-OAHLLOKOSA-N -1 3 343.770 2.843 10 30 EFEEHM C#Cc1cccc(NC(=O)C[N-]C(=O)C(F)(F)c2ccccc2F)c1 ZINC000765648628 577062762 /nfs/dbraw/zinc/06/27/62/577062762.db2.gz MMXMIKIPROWCJF-UHFFFAOYSA-N -1 3 346.308 2.654 10 30 EFEEHM COc1cccc([O-])c1/C=N\[C@@H]1CCCN(c2cc(C)nn2C)C1 ZINC000766284410 577131005 /nfs/dbraw/zinc/13/10/05/577131005.db2.gz RQMLSGWZAYHJSU-AXLWCPOOSA-N -1 3 328.416 2.531 10 30 EFEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@H]2CCCOC2)c1 ZINC000766616991 577171549 /nfs/dbraw/zinc/17/15/49/577171549.db2.gz MSSDBLKSAOZZAL-DLBZAZTESA-N -1 3 349.390 2.937 10 30 EFEEHM CC(C)[C@H](/N=C\c1ccc(O)c([O-])c1O)c1nnc2ccccn21 ZINC000726118820 577351071 /nfs/dbraw/zinc/35/10/71/577351071.db2.gz QYXJZWBFRBJTFC-WXARJGPPSA-N -1 3 326.356 2.662 10 30 EFEEHM C=CCOC(=O)c1sc2[n-]c(CC(=O)C3CCC3)nc(=O)c2c1C ZINC000740168062 577429361 /nfs/dbraw/zinc/42/93/61/577429361.db2.gz PRVHFFIMSZKCEO-UHFFFAOYSA-N -1 3 346.408 2.548 10 30 EFEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1ccc(C)nc1 ZINC000773979841 581476518 /nfs/dbraw/zinc/47/65/18/581476518.db2.gz LKCUOWLPKUFRQX-BOLDSZDNSA-N -1 3 335.363 2.759 10 30 EFEEHM Cc1cc(Cl)cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)c1[O-] ZINC000774589750 581494845 /nfs/dbraw/zinc/49/48/45/581494845.db2.gz QLRSOCPODALHCL-LLVKDONJSA-N -1 3 338.820 2.968 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746959510 1247961616 /nfs/dbraw/zinc/96/16/16/1247961616.db2.gz PLNHZFVSGKGPOG-GOEBONIOSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CCC(CNC(=O)c2ccccc2[O-])CC1 ZINC001687324283 1248236654 /nfs/dbraw/zinc/23/66/54/1248236654.db2.gz IVSYWAOQQAPLSF-OAHLLOKOSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001746214937 1251667888 /nfs/dbraw/zinc/66/78/88/1251667888.db2.gz BWOYYAPBVRPAIK-UHFFFAOYSA-N -1 3 342.439 2.745 10 30 EFEEHM CC(C)CN1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001649046390 1257972150 /nfs/dbraw/zinc/97/21/50/1257972150.db2.gz RSQSMUULTYGBGI-KRWDZBQOSA-N -1 3 332.444 2.732 10 30 EFEEHM CC[C@H](C)[C@H](NC(=O)OC)C(=O)N([O-])CCCCc1ccccc1 ZINC001649051846 1258019175 /nfs/dbraw/zinc/01/91/75/1258019175.db2.gz IMOPZVSHCDIKRP-HOCLYGCPSA-N -1 3 336.432 2.998 10 30 EFEEHM O=C([C@@H]1CC(=O)N(c2cccc(F)c2)C1)N([O-])Cc1ccc(F)cc1 ZINC001649069609 1258161588 /nfs/dbraw/zinc/16/15/88/1258161588.db2.gz FGOVZOJAHUQDTQ-CYBMUJFWSA-N -1 3 346.333 2.736 10 30 EFEEHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c([N+](=O)[O-])cc1F ZINC001649076326 1258204304 /nfs/dbraw/zinc/20/43/04/1258204304.db2.gz VMISIGVFDHURMK-UHFFFAOYSA-N -1 3 338.266 2.913 10 30 EFEEHM COc1cc(C(=O)OCc2ccc(C#N)c(F)c2)cc(OC)c1[O-] ZINC000791423901 1278118235 /nfs/dbraw/zinc/11/82/35/1278118235.db2.gz JZXVIIIMJZEFOM-UHFFFAOYSA-N -1 3 331.299 2.777 10 30 EFEEHM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)c(F)c2)cc1C ZINC000820179061 1277060811 /nfs/dbraw/zinc/06/08/11/1277060811.db2.gz FDQBAZRNQFZIGP-QGZVFWFLSA-N -1 3 342.370 2.829 10 30 EFEEHM CC1(C)CCC(C)(C)c2cc(C(=O)N[C@H]3CCN([O-])C3=O)ccc21 ZINC000820178810 1277061569 /nfs/dbraw/zinc/06/15/69/1277061569.db2.gz BKKOMZPNZXGQKU-HNNXBMFYSA-N -1 3 330.428 2.756 10 30 EFEEHM C#CCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790229866 1277382247 /nfs/dbraw/zinc/38/22/47/1277382247.db2.gz WUJVZGHPQVQUNZ-UHFFFAOYSA-N -1 3 336.638 2.794 10 30 EFEEHM C[C@H](C(=O)[O-])N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923272303 1277443418 /nfs/dbraw/zinc/44/34/18/1277443418.db2.gz GTPGZFZOPGMMNS-SRQIZXRXSA-N -1 3 341.198 2.562 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001144589880 1279878807 /nfs/dbraw/zinc/87/88/07/1279878807.db2.gz VZBBXGBZTDBIQA-LURJTMIESA-N -1 3 333.113 2.732 10 30 EFEEHM O=S(=O)([N-]CC(F)(F)C(F)F)c1ccc(F)c(C(F)F)c1 ZINC000872005552 1287394339 /nfs/dbraw/zinc/39/43/39/1287394339.db2.gz MJJNCSGLIQAEFP-UHFFFAOYSA-N -1 3 339.232 2.942 10 30 EFEEHM N#Cc1cc(F)c([N-]S(=O)(=O)CCCC2CCOCC2)cc1F ZINC000872007011 1287395403 /nfs/dbraw/zinc/39/54/03/1287395403.db2.gz FZNZYHOYZIFOEP-UHFFFAOYSA-N -1 3 344.383 2.785 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)Cc3cccc(C#N)c3)nc21 ZINC001134941018 1287397567 /nfs/dbraw/zinc/39/75/67/1287397567.db2.gz RZOAXIJEOPQZCU-UHFFFAOYSA-N -1 3 348.362 2.792 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000805782904 1280766064 /nfs/dbraw/zinc/76/60/64/1280766064.db2.gz QLKHQMVMURQHSE-INIZCTEOSA-N -1 3 326.371 2.965 10 30 EFEEHM Cc1ncc(CO)c(/C=N/C[C@H]2CC[C@H](c3ccccc3)O2)c1[O-] ZINC000809144185 1282063435 /nfs/dbraw/zinc/06/34/35/1282063435.db2.gz GUPUHJMFBCDJBT-XNHYIXHQSA-N -1 3 326.396 2.927 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)CCCCC1 ZINC000872492339 1287618807 /nfs/dbraw/zinc/61/88/07/1287618807.db2.gz DNVLGIUJGBUSNA-HXUWFJFHSA-N -1 3 336.523 2.996 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872502977 1287626929 /nfs/dbraw/zinc/62/69/29/1287626929.db2.gz CHNIUAOFMXMNFI-VFGMZZLHSA-N -1 3 336.523 2.852 10 30 EFEEHM N#Cc1cc([O-])cc(C(=O)OCCOCCOc2ccccc2)c1 ZINC000811185198 1284096142 /nfs/dbraw/zinc/09/61/42/1284096142.db2.gz IBIFEKUXFPPHTB-UHFFFAOYSA-N -1 3 327.336 2.516 10 30 EFEEHM Cc1cc(-c2nnc(COC(=O)c3cc([O-])cc(C#N)c3)o2)c(C)o1 ZINC000811185496 1284096329 /nfs/dbraw/zinc/09/63/29/1284096329.db2.gz MYLWAKSWIHBLJC-UHFFFAOYSA-N -1 3 339.307 2.881 10 30 EFEEHM CN(c1nc(COC(=O)c2cc([O-])cc(C#N)c2)cs1)C1CC1 ZINC000811186736 1284097107 /nfs/dbraw/zinc/09/71/07/1284097107.db2.gz WWOPSXGNHYVAHL-UHFFFAOYSA-N -1 3 329.381 2.676 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000816693307 1288246894 /nfs/dbraw/zinc/24/68/94/1288246894.db2.gz IEZIASITUOGHNE-LBPRGKRZSA-N -1 3 343.210 2.521 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000816691685 1288247339 /nfs/dbraw/zinc/24/73/39/1288247339.db2.gz WYPAYMCPCZDKMQ-KRWDZBQOSA-N -1 3 347.374 2.622 10 30 EFEEHM Cc1cccc(Nc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)c1C ZINC000816694170 1288248504 /nfs/dbraw/zinc/24/85/04/1288248504.db2.gz ZYXOWAQPBOEGFO-KRWDZBQOSA-N -1 3 339.395 2.767 10 30 EFEEHM C#CC[C@H]1CCCN(C(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)C1 ZINC000823506587 1289311083 /nfs/dbraw/zinc/31/10/83/1289311083.db2.gz PUHWCYRNWNEEDE-NSHDSACASA-N -1 3 330.334 2.682 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001180842108 1289639011 /nfs/dbraw/zinc/63/90/11/1289639011.db2.gz APLUENDMJLILKE-KGLIPLIRSA-N -1 3 344.440 2.935 10 30 EFEEHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000796098725 1292001769 /nfs/dbraw/zinc/00/17/69/1292001769.db2.gz YILUOEMAMRBKEZ-AWEZNQCLSA-N -1 3 334.828 2.648 10 30 EFEEHM C=C(C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OCC ZINC000881754873 1292998633 /nfs/dbraw/zinc/99/86/33/1292998633.db2.gz ZDLOXMCRKVWJNE-HNNXBMFYSA-N -1 3 337.391 2.868 10 30 EFEEHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCOC1 ZINC000882445223 1293203642 /nfs/dbraw/zinc/20/36/42/1293203642.db2.gz FADIUXZTQQZYDF-YOEHRIQHSA-N -1 3 345.443 2.530 10 30 EFEEHM C=CCCc1ccc(S(=O)(=O)NN=c2nc(C)cc(C)[n-]2)cc1 ZINC000882658283 1293280362 /nfs/dbraw/zinc/28/03/62/1293280362.db2.gz JXQNZZKHQXDABK-UHFFFAOYSA-N -1 3 332.429 2.517 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1 ZINC000882722856 1293296639 /nfs/dbraw/zinc/29/66/39/1293296639.db2.gz GNHBWBIVTHSXGC-AWEZNQCLSA-N -1 3 330.475 2.646 10 30 EFEEHM COc1cccc2[nH]cc(CC/N=C/c3c([O-])c(C)ncc3CO)c21 ZINC000777869500 1297224741 /nfs/dbraw/zinc/22/47/41/1297224741.db2.gz KTPDNTRPFZCGGD-KEBDBYFISA-N -1 3 339.395 2.739 10 30 EFEEHM C=CCCC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001489408508 1298219552 /nfs/dbraw/zinc/21/95/52/1298219552.db2.gz DVQBCSYRVUVLOB-CVEARBPZSA-N -1 3 328.412 2.516 10 30 EFEEHM C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001489746833 1298300599 /nfs/dbraw/zinc/30/05/99/1298300599.db2.gz FUZYZXKYWSJGMC-MRXNPFEDSA-N -1 3 342.439 2.834 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001489746769 1298300909 /nfs/dbraw/zinc/30/09/09/1298300909.db2.gz DVLXEWQXYQZMOV-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C#CCN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000852429454 1299699290 /nfs/dbraw/zinc/69/92/90/1299699290.db2.gz MXEAEJVHGCWRJX-UHFFFAOYSA-N -1 3 335.375 2.511 10 30 EFEEHM C=CCCO[N-]C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000856027685 1301209387 /nfs/dbraw/zinc/20/93/87/1301209387.db2.gz WRJIZXOADHWMIR-CYBMUJFWSA-N -1 3 342.436 2.763 10 30 EFEEHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000856033762 1301212914 /nfs/dbraw/zinc/21/29/14/1301212914.db2.gz PYBDCDZKSUMKTL-MRXNPFEDSA-N -1 3 332.400 2.659 10 30 EFEEHM COc1cc(C(=O)/C=C\c2c3c(nn2C)CCCC3)c(OC)cc1[O-] ZINC000865220448 1303193619 /nfs/dbraw/zinc/19/36/19/1303193619.db2.gz JXKHMVLRFKTUHP-HJWRWDBZSA-N -1 3 342.395 2.918 10 30 EFEEHM COc1cc(C(=O)/C=C/c2c3c(nn2C)CCCC3)c(OC)cc1[O-] ZINC000865220447 1303193705 /nfs/dbraw/zinc/19/37/05/1303193705.db2.gz JXKHMVLRFKTUHP-CMDGGOBGSA-N -1 3 342.395 2.918 10 30 EFEEHM COCCOc1ncccc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866234714 1303574773 /nfs/dbraw/zinc/57/47/73/1303574773.db2.gz WZVQZOMJQSJMTC-CYBMUJFWSA-N -1 3 327.384 2.535 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(C#N)c1)c1nc(C)cs1 ZINC000866741493 1303774789 /nfs/dbraw/zinc/77/47/89/1303774789.db2.gz FQQHCDSVJKFGHV-CYBMUJFWSA-N -1 3 339.417 2.892 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)CCCC1 ZINC000867518818 1303844020 /nfs/dbraw/zinc/84/40/20/1303844020.db2.gz HHGJEOVYLMJKIH-NRFANRHFSA-N -1 3 342.486 2.867 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1)C(=O)OC ZINC000867625218 1303882408 /nfs/dbraw/zinc/88/24/08/1303882408.db2.gz VGIIZWDVTCVCDY-QIAWRQBBSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869154831 1304634763 /nfs/dbraw/zinc/63/47/63/1304634763.db2.gz ZGYADXBDBLUJRZ-QMMMGPOBSA-N -1 3 329.150 2.522 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870691171 1305503882 /nfs/dbraw/zinc/50/38/82/1305503882.db2.gz GAZACECPDWHLNP-AWEZNQCLSA-N -1 3 345.399 2.615 10 30 EFEEHM CSc1nc(C)c(CCC(=O)[N-]Oc2cccc(C#N)c2)c(C)n1 ZINC000870693921 1305505267 /nfs/dbraw/zinc/50/52/67/1305505267.db2.gz YQXRYLGCMGRPDT-UHFFFAOYSA-N -1 3 342.424 2.730 10 30 EFEEHM COc1cc2c(cc1F)CC[C@H]2/N=C\c1c([O-])c(C)ncc1CO ZINC000800790524 1308424445 /nfs/dbraw/zinc/42/44/45/1308424445.db2.gz MZBSXXOYGISUME-IKVOSHDESA-N -1 3 330.359 2.842 10 30 EFEEHM Cc1ccc(N2C[C@@H](C(=O)N([O-])Cc3ccc(F)cc3)CC2=O)cc1 ZINC000901376520 1310267316 /nfs/dbraw/zinc/26/73/16/1310267316.db2.gz VPSQFSCBXGERTA-HNNXBMFYSA-N -1 3 342.370 2.905 10 30 EFEEHM CNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H]1CCCC(C)(C)O1 ZINC000901664796 1310847721 /nfs/dbraw/zinc/84/77/21/1310847721.db2.gz XTILTBODNGZJBU-ZDUSSCGKSA-N -1 3 337.445 2.689 10 30 EFEEHM C#Cc1ccc([N-]S(=O)(=O)c2cnc3n2CCCC3)c(Cl)c1 ZINC000901962871 1311246704 /nfs/dbraw/zinc/24/67/04/1311246704.db2.gz MMAYNPPDEIGPOO-UHFFFAOYSA-N -1 3 335.816 2.655 10 30 EFEEHM O=C(c1cc(-n2cccn2)ccn1)N([O-])Cc1ccccc1Cl ZINC001161807856 1311978135 /nfs/dbraw/zinc/97/81/35/1311978135.db2.gz PMBUCHJZFUHVGT-UHFFFAOYSA-N -1 3 328.759 2.952 10 30 EFEEHM O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC001161842933 1311984889 /nfs/dbraw/zinc/98/48/89/1311984889.db2.gz UQNTUDCEEGGUAV-CQSZACIVSA-N -1 3 334.391 2.725 10 30 EFEEHM CCc1ccc(C#CC(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)cc1 ZINC001162885084 1312197522 /nfs/dbraw/zinc/19/75/22/1312197522.db2.gz DFCJELJRHJKJRE-UHFFFAOYSA-N -1 3 339.395 2.918 10 30 EFEEHM CCc1ccc(C#CC(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)cc1 ZINC001162885084 1312197524 /nfs/dbraw/zinc/19/75/24/1312197524.db2.gz DFCJELJRHJKJRE-UHFFFAOYSA-N -1 3 339.395 2.918 10 30 EFEEHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000401236106 1314799901 /nfs/dbraw/zinc/79/99/01/1314799901.db2.gz JPYSDTKKBHJORG-LURJTMIESA-N -1 3 328.699 2.892 10 30 EFEEHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000401236107 1314799910 /nfs/dbraw/zinc/79/99/10/1314799910.db2.gz JPYSDTKKBHJORG-ZCFIWIBFSA-N -1 3 328.699 2.892 10 30 EFEEHM C#CCCCCC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001279780206 1317385392 /nfs/dbraw/zinc/38/53/92/1317385392.db2.gz YAINNAOCGXGKNB-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCC1(C(=O)N[C@@H]2C[C@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001281160644 1318048221 /nfs/dbraw/zinc/04/82/21/1318048221.db2.gz UTWWTXYBWSIZTM-LSDHHAIUSA-N -1 3 342.439 2.858 10 30 EFEEHM C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCCN1C(=O)c1ccccc1[O-] ZINC001281207625 1318102612 /nfs/dbraw/zinc/10/26/12/1318102612.db2.gz FMTYLIFHUZYCRI-ZBFHGGJFSA-N -1 3 342.439 2.551 10 30 EFEEHM C#CCCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001281310155 1318168713 /nfs/dbraw/zinc/16/87/13/1318168713.db2.gz GRFKDLSALDGPIB-QGZVFWFLSA-N -1 3 344.455 2.847 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001281407147 1318272212 /nfs/dbraw/zinc/27/22/12/1318272212.db2.gz RCXCHGBQCZFRPB-HUUCEWRRSA-N -1 3 330.428 2.858 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001283443574 1319701574 /nfs/dbraw/zinc/70/15/74/1319701574.db2.gz GPMNVYJYJZCFKX-HUUCEWRRSA-N -1 3 344.455 2.819 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001284139072 1320229538 /nfs/dbraw/zinc/22/95/38/1320229538.db2.gz NYJXTGWPRAJCTJ-HZPDHXFCSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001285392528 1320882596 /nfs/dbraw/zinc/88/25/96/1320882596.db2.gz XSGWZABRKOJYHZ-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001285827678 1321098567 /nfs/dbraw/zinc/09/85/67/1321098567.db2.gz XUYIXTFJGXOUHW-GOEBONIOSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001286159133 1321276442 /nfs/dbraw/zinc/27/64/42/1321276442.db2.gz XDNYQIVOQFULRB-HXUWFJFHSA-N -1 3 342.439 2.554 10 30 EFEEHM C#CCCCCCC(=O)N[C@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001286207739 1321301922 /nfs/dbraw/zinc/30/19/22/1321301922.db2.gz JQUBGYYLCDCUJO-OAHLLOKOSA-N -1 3 342.439 2.553 10 30 EFEEHM CCCCCCCCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)CC[C@H]1C ZINC001288469192 1321680944 /nfs/dbraw/zinc/68/09/44/1321680944.db2.gz GVPUOXUJKCHJKG-CABCVRRESA-N -1 3 349.479 2.665 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001290064631 1321872820 /nfs/dbraw/zinc/87/28/20/1321872820.db2.gz TTYLMARSOVODQL-KFWWJZLASA-N -1 3 330.428 2.619 10 30 EFEEHM CC#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001290390607 1321909349 /nfs/dbraw/zinc/90/93/49/1321909349.db2.gz PXLXQIXTMMYSDX-DLBZAZTESA-N -1 3 342.439 2.695 10 30 EFEEHM CC[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CCN1C(=O)c1ccccc1[O-] ZINC001290421188 1321912659 /nfs/dbraw/zinc/91/26/59/1321912659.db2.gz ZPQILTMAFNMCIK-JKSUJKDBSA-N -1 3 342.439 2.551 10 30 EFEEHM CC(C)(C)OC(=O)N1CC(C(=O)N([O-])Cc2ccccc2Cl)C1 ZINC001306894002 1321941069 /nfs/dbraw/zinc/94/10/69/1321941069.db2.gz DQKNTJUAHZLTHH-UHFFFAOYSA-N -1 3 340.807 2.925 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001293631861 1322303725 /nfs/dbraw/zinc/30/37/25/1322303725.db2.gz YVPURXMMWHWWSW-GJZGRUSLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001293772339 1322348919 /nfs/dbraw/zinc/34/89/19/1322348919.db2.gz WQQCYXSUTQLPMO-UHFFFAOYSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001293811941 1322359816 /nfs/dbraw/zinc/35/98/16/1322359816.db2.gz ZAIWWPPFDRCFBN-UHFFFAOYSA-N -1 3 344.455 2.963 10 30 EFEEHM CCCCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001294496166 1322496670 /nfs/dbraw/zinc/49/66/70/1322496670.db2.gz ISDMOBUEOBXURU-AWEZNQCLSA-N -1 3 338.354 2.888 10 30 EFEEHM CCOC(=O)c1ccc(NC(=O)c2sccc2CC#N)c([O-])c1 ZINC001295836100 1322790691 /nfs/dbraw/zinc/79/06/91/1322790691.db2.gz BVGSBZZIOORBFW-UHFFFAOYSA-N -1 3 330.365 2.949 10 30 EFEEHM CC#CCCCC(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001296479838 1322928771 /nfs/dbraw/zinc/92/87/71/1322928771.db2.gz YJVRZRHSYMRUFQ-UHFFFAOYSA-N -1 3 330.428 2.554 10 30 EFEEHM COc1ccc2nc([C@H](C)NC(=O)c3ccc(C#N)c([O-])c3)[nH]c2c1 ZINC001296768106 1323010565 /nfs/dbraw/zinc/01/05/65/1323010565.db2.gz NGECQWXDDRKLOU-JTQLQIEISA-N -1 3 336.351 2.640 10 30 EFEEHM CC(C)C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001297824034 1323350229 /nfs/dbraw/zinc/35/02/29/1323350229.db2.gz VGDCFSRXCYMEBQ-HNNXBMFYSA-N -1 3 344.455 2.702 10 30 EFEEHM Cc1c(Br)ccc([O-])c1NC(=O)c1cccc(C#N)n1 ZINC001298514036 1323557589 /nfs/dbraw/zinc/55/75/89/1323557589.db2.gz SHWYIXNQYHURGL-UHFFFAOYSA-N -1 3 332.157 2.982 10 30 EFEEHM C[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)c1nc(C(F)(F)F)n[n-]1 ZINC001304130844 1324641120 /nfs/dbraw/zinc/64/11/20/1324641120.db2.gz CPSLEXCBFBLIQQ-ZETCQYMHSA-N -1 3 348.288 2.667 10 30 EFEEHM CCC[C@@H](C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892577 1324729967 /nfs/dbraw/zinc/72/99/67/1324729967.db2.gz IZPIOTAIKXWRQB-CYBMUJFWSA-N -1 3 332.400 2.717 10 30 EFEEHM O=C(c1cccc(-n2cncn2)n1)N([O-])CCCCc1ccccc1 ZINC001306895910 1324730128 /nfs/dbraw/zinc/73/01/28/1324730128.db2.gz AQLFEKIELDREQQ-UHFFFAOYSA-N -1 3 337.383 2.517 10 30 EFEEHM C=CCn1c(C)nnc1SCc1nnc(-c2ccccc2[O-])o1 ZINC001307262058 1324754152 /nfs/dbraw/zinc/75/41/52/1324754152.db2.gz GHHNFLWWHFJYGF-UHFFFAOYSA-N -1 3 329.385 2.820 10 30 EFEEHM C=CCN(c1ccccc1)S(=O)(=O)c1nc[n-]c1Br ZINC001308997707 1324850731 /nfs/dbraw/zinc/85/07/31/1324850731.db2.gz SWVVEIMFMAIKFY-UHFFFAOYSA-N -1 3 342.218 2.554 10 30 EFEEHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001309912562 1324893746 /nfs/dbraw/zinc/89/37/46/1324893746.db2.gz QMLKDKNWRVYJTO-HNNXBMFYSA-N -1 3 339.457 2.873 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(CC#N)cc3)ccc2n1 ZINC001322288906 1329443823 /nfs/dbraw/zinc/44/38/23/1329443823.db2.gz WVNPUIZSKACCGL-UHFFFAOYSA-N -1 3 326.381 2.510 10 30 EFEEHM Cc1c(C#N)cccc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC001325233300 1329675974 /nfs/dbraw/zinc/67/59/74/1329675974.db2.gz PCBNBRPUUOKZME-UHFFFAOYSA-N -1 3 335.319 2.979 10 30 EFEEHM C=C(C)C(C)(C)C(=O)Nc1ncc(S(=O)(=O)[N-]C(C)(C)C)s1 ZINC001331494600 1330843848 /nfs/dbraw/zinc/84/38/48/1330843848.db2.gz ZPZATRJQHBSJSJ-UHFFFAOYSA-N -1 3 345.490 2.761 10 30 EFEEHM C=CCO[C@@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001331707480 1330868463 /nfs/dbraw/zinc/86/84/63/1330868463.db2.gz AJQJXRORPVNSMK-CYBMUJFWSA-N -1 3 326.190 2.572 10 30 EFEEHM C=C1CCC(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001333830065 1331222190 /nfs/dbraw/zinc/22/21/90/1331222190.db2.gz XFUCGXBDOIVIBB-UONOGXRCSA-N -1 3 330.428 2.762 10 30 EFEEHM C#CCC(C)(C)C(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001336730781 1331497446 /nfs/dbraw/zinc/49/74/46/1331497446.db2.gz OZEAXTAOMAIWIN-UHFFFAOYSA-N -1 3 325.368 2.755 10 30 EFEEHM C#CCC(C)(C)C(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001336730781 1331497448 /nfs/dbraw/zinc/49/74/48/1331497448.db2.gz OZEAXTAOMAIWIN-UHFFFAOYSA-N -1 3 325.368 2.755 10 30 EFEEHM C#CCCCCC(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336898565 1331514664 /nfs/dbraw/zinc/51/46/64/1331514664.db2.gz KFWWXTUBMLNNOV-QGZVFWFLSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336966404 1331522108 /nfs/dbraw/zinc/52/21/08/1331522108.db2.gz KXMHLRPPWDJRIC-UZLBHIALSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001339209821 1331818099 /nfs/dbraw/zinc/81/80/99/1331818099.db2.gz FOTYARYVOGNZFI-NSHDSACASA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C)C2(CCC2)C1 ZINC001339209821 1331818103 /nfs/dbraw/zinc/81/81/03/1331818103.db2.gz FOTYARYVOGNZFI-NSHDSACASA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1Cc2ccccc2[C@H]1C ZINC001339212758 1331818832 /nfs/dbraw/zinc/81/88/32/1331818832.db2.gz ZFGCSZPRQXEDJT-SNVBAGLBSA-N -1 3 341.806 2.984 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1Cc2ccccc2[C@H]1C ZINC001339212758 1331818835 /nfs/dbraw/zinc/81/88/35/1331818835.db2.gz ZFGCSZPRQXEDJT-SNVBAGLBSA-N -1 3 341.806 2.984 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001339545999 1331895019 /nfs/dbraw/zinc/89/50/19/1331895019.db2.gz ONFKXDFLOVXROU-UHFFFAOYSA-N -1 3 342.439 2.883 10 30 EFEEHM C#CCCCCC(=O)N[C@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001339785472 1331958211 /nfs/dbraw/zinc/95/82/11/1331958211.db2.gz UYNCOSMIXKCKGQ-HUUCEWRRSA-N -1 3 330.428 2.599 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@](C)(C(F)(F)F)C1 ZINC001340380134 1332184546 /nfs/dbraw/zinc/18/45/46/1332184546.db2.gz NIOWUPSLSHHWTC-ZDUSSCGKSA-N -1 3 343.309 2.603 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001340840208 1332211421 /nfs/dbraw/zinc/21/14/21/1332211421.db2.gz QXERDWSTYWVLSM-HOTGVXAUSA-N -1 3 344.455 2.963 10 30 EFEEHM C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)N1CC#N ZINC001350329752 1333065310 /nfs/dbraw/zinc/06/53/10/1333065310.db2.gz MOSPDRLCKGJWTG-RYUDHWBXSA-N -1 3 338.249 2.573 10 30 EFEEHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)N1CC#N ZINC001350329754 1333065351 /nfs/dbraw/zinc/06/53/51/1333065351.db2.gz MOSPDRLCKGJWTG-VXGBXAGGSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CCC[C@@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001350337898 1333066025 /nfs/dbraw/zinc/06/60/25/1333066025.db2.gz UMHFTNYWJUOKID-QGZVFWFLSA-N -1 3 339.443 2.731 10 30 EFEEHM C=CCC[C@@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001350337898 1333066028 /nfs/dbraw/zinc/06/60/28/1333066028.db2.gz UMHFTNYWJUOKID-QGZVFWFLSA-N -1 3 339.443 2.731 10 30 EFEEHM C=C(C)Cc1cccc(-c2nnc(N3C[C@H]4CC[C@@H](C3)O4)n2C)c1[O-] ZINC001351278611 1333205334 /nfs/dbraw/zinc/20/53/34/1333205334.db2.gz SLNYLZJPSXMHAR-GASCZTMLSA-N -1 3 340.427 2.674 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N(CC)CCCNC(=O)c1ccccc1[O-] ZINC001352047836 1333365951 /nfs/dbraw/zinc/36/59/51/1333365951.db2.gz IZRHVKQXCLRFMZ-LSDHHAIUSA-N -1 3 332.444 2.819 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001352094430 1333382953 /nfs/dbraw/zinc/38/29/53/1333382953.db2.gz YANAMWOMMIBAMG-MNOVXSKESA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001352094430 1333382957 /nfs/dbraw/zinc/38/29/57/1333382957.db2.gz YANAMWOMMIBAMG-MNOVXSKESA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001352094429 1333383336 /nfs/dbraw/zinc/38/33/36/1333383336.db2.gz YANAMWOMMIBAMG-GHMZBOCLSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001352094429 1333383338 /nfs/dbraw/zinc/38/33/38/1333383338.db2.gz YANAMWOMMIBAMG-GHMZBOCLSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001352094432 1333383974 /nfs/dbraw/zinc/38/39/74/1333383974.db2.gz YANAMWOMMIBAMG-WDEREUQCSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]2CCC[C@H]21 ZINC001352094432 1333383978 /nfs/dbraw/zinc/38/39/78/1333383978.db2.gz YANAMWOMMIBAMG-WDEREUQCSA-N -1 3 333.827 2.672 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001353203019 1334009756 /nfs/dbraw/zinc/00/97/56/1334009756.db2.gz GKURLVVARXDQHX-DNVCBOLYSA-N -1 3 330.428 2.619 10 30 EFEEHM CC(C)(C)c1ccc(CCCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848138947 1334350739 /nfs/dbraw/zinc/35/07/39/1334350739.db2.gz QLYXRFGKTLTUFQ-MRXNPFEDSA-N -1 3 332.444 2.803 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001354799575 1334526153 /nfs/dbraw/zinc/52/61/53/1334526153.db2.gz OIAOLEIKKCVREN-AWEZNQCLSA-N -1 3 330.428 2.573 10 30 EFEEHM C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001472888039 1334599852 /nfs/dbraw/zinc/59/98/52/1334599852.db2.gz ZBJNNBFNXOQSCR-LURJTMIESA-N -1 3 326.238 2.776 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001356639759 1335077470 /nfs/dbraw/zinc/07/74/70/1335077470.db2.gz HTWNDSWAOVDALR-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703199 1335113484 /nfs/dbraw/zinc/11/34/84/1335113484.db2.gz GPPJKFSPMFYKHO-CVEARBPZSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703202 1335113695 /nfs/dbraw/zinc/11/36/95/1335113695.db2.gz GPPJKFSPMFYKHO-JKSUJKDBSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CC(C)(C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001358828285 1335495356 /nfs/dbraw/zinc/49/53/56/1335495356.db2.gz DNMNUVABHIIBHA-IBGZPJMESA-N -1 3 330.428 2.573 10 30 EFEEHM Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(C)c1C#N ZINC001362069109 1336488610 /nfs/dbraw/zinc/48/86/10/1336488610.db2.gz WUQPQIGERVKMSH-UHFFFAOYSA-N -1 3 343.408 2.799 10 30 EFEEHM CC[C@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001362937607 1336759486 /nfs/dbraw/zinc/75/94/86/1336759486.db2.gz QUVKYLQTEFSZHQ-FZMZJTMJSA-N -1 3 338.354 2.744 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)c1cc(CC)ccc1[O-])C(=O)OCC ZINC001363597338 1336945880 /nfs/dbraw/zinc/94/58/80/1336945880.db2.gz PSRSWSAFENUXEE-ZDUSSCGKSA-N -1 3 325.792 2.759 10 30 EFEEHM N#Cc1cc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1F ZINC001363883662 1337098317 /nfs/dbraw/zinc/09/83/17/1337098317.db2.gz HNTQFNCMZSIXBR-YEORSEQZSA-N -1 3 340.358 2.649 10 30 EFEEHM COc1cc(C(=O)NCc2ccc(C)c(C#N)c2)cc(OC)c1[O-] ZINC001363920767 1337115169 /nfs/dbraw/zinc/11/51/69/1337115169.db2.gz ISIFHBZGOZFRAX-UHFFFAOYSA-N -1 3 326.352 2.520 10 30 EFEEHM C[C@@H](CNCc1cc(F)ccc1C#N)N(C)C(=O)c1ccccc1[O-] ZINC001367340356 1338639684 /nfs/dbraw/zinc/63/96/84/1338639684.db2.gz AUYDRFHXMVQIDR-ZDUSSCGKSA-N -1 3 341.386 2.653 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N1CC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001438306486 1388496910 /nfs/dbraw/zinc/49/69/10/1388496910.db2.gz PUDQKEAQYLSNFI-LBPRGKRZSA-N -1 3 336.819 2.502 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001438306479 1388497001 /nfs/dbraw/zinc/49/70/01/1388497001.db2.gz PUDQKEAQYLSNFI-GFCCVEGCSA-N -1 3 336.819 2.502 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1coc(C2CC2)n1 ZINC001438364792 1388535469 /nfs/dbraw/zinc/53/54/69/1388535469.db2.gz PILVEGOVKAKSTJ-UHFFFAOYSA-N -1 3 341.367 2.817 10 30 EFEEHM C=CCOc1ccc(C(F)(F)F)cc1C(=O)[N-]n1ccccc1=O ZINC001457727396 1395304957 /nfs/dbraw/zinc/30/49/57/1395304957.db2.gz AWLUTBYVNZERMR-UHFFFAOYSA-N -1 3 338.285 2.816 10 30 EFEEHM NC(=O)c1ccc(CCC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001457995323 1395395056 /nfs/dbraw/zinc/39/50/56/1395395056.db2.gz REYRCJZZSYXLSM-UHFFFAOYSA-N -1 3 332.787 2.790 10 30 EFEEHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)OCC ZINC001462502993 1396439464 /nfs/dbraw/zinc/43/94/64/1396439464.db2.gz QNCQYRPIWPFXKL-CYBMUJFWSA-N -1 3 329.318 2.932 10 30 EFEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001463738276 1396517843 /nfs/dbraw/zinc/51/78/43/1396517843.db2.gz SKTYULHJCPBZKR-CYBMUJFWSA-N -1 3 348.237 2.977 10 30 EFEEHM C#CC1([N-]S(=O)(=O)c2ccc(Br)cc2F)CCCC1 ZINC001464356604 1396568008 /nfs/dbraw/zinc/56/80/08/1396568008.db2.gz SVUUIBBOLZRDJI-UHFFFAOYSA-N -1 3 346.221 2.813 10 30 EFEEHM C=CCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc2ccccc21 ZINC001464537549 1396585316 /nfs/dbraw/zinc/58/53/16/1396585316.db2.gz HJFRIBWGLRYZSJ-INIZCTEOSA-N -1 3 333.409 2.549 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)CCCCC1 ZINC001464620998 1396590740 /nfs/dbraw/zinc/59/07/40/1396590740.db2.gz MCYFZAGFAPLDMQ-UHFFFAOYSA-N -1 3 341.454 2.539 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001493641560 1398785949 /nfs/dbraw/zinc/78/59/49/1398785949.db2.gz DNULNXJKABDFRZ-OAHLLOKOSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001493971905 1399025168 /nfs/dbraw/zinc/02/51/68/1399025168.db2.gz DKYFDKPEZPPQSQ-HAQNSBGRSA-N -1 3 336.819 2.548 10 30 EFEEHM C=CCCC(=O)N1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001494130049 1399152635 /nfs/dbraw/zinc/15/26/35/1399152635.db2.gz JGEGZDOXWSXBDY-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccccc2[O-])CCC1 ZINC001497026859 1401138855 /nfs/dbraw/zinc/13/88/55/1401138855.db2.gz ITJXCRDDUSWBBQ-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C1CCC(C(=O)NCCN(C(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001497547753 1401449021 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2.961 10 30 EFEEHM CC#CCCCC(=O)N[C@@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001510077263 1412523715 /nfs/dbraw/zinc/52/37/15/1412523715.db2.gz NFBIZCNUYKSTIK-HNNXBMFYSA-N -1 3 330.428 2.601 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@@H](C)CN(C)C(=O)c1ccccc1[O-] ZINC001510459371 1412698459 /nfs/dbraw/zinc/69/84/59/1412698459.db2.gz PDOCBEPOCFRYTB-AWEZNQCLSA-N -1 3 330.428 2.737 10 30 EFEEHM CC#CCCCC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001511727774 1413099325 /nfs/dbraw/zinc/09/93/25/1413099325.db2.gz ZRZQEDDABSZJAG-UHFFFAOYSA-N -1 3 344.455 2.895 10 30 EFEEHM Cc1nn(C)c2nc(C)c(C(=O)N([O-])Cc3ccc(F)cc3)cc12 ZINC001559037063 1415219432 /nfs/dbraw/zinc/21/94/32/1415219432.db2.gz HMVIFMVOBGDJLJ-UHFFFAOYSA-N -1 3 328.347 2.756 10 30 EFEEHM NC(=O)c1cnc(C(=O)N([O-])CCCCc2ccccc2)c(Cl)c1 ZINC001559034406 1415219858 /nfs/dbraw/zinc/21/98/58/1415219858.db2.gz YSUPIQFZPSGYFT-UHFFFAOYSA-N -1 3 347.802 2.688 10 30 EFEEHM O=C(c1ccc([C@@H]2CCC(=O)N2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001559037337 1415219896 /nfs/dbraw/zinc/21/98/96/1415219896.db2.gz SEPUHDFNNAZYFX-INIZCTEOSA-N -1 3 328.343 2.808 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1occc1Br)c1ccccc1 ZINC001561689657 1415321674 /nfs/dbraw/zinc/32/16/74/1415321674.db2.gz WLUWQLVSALMORC-GFCCVEGCSA-N -1 3 340.198 2.695 10 30 EFEEHM CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001565568261 1415403515 /nfs/dbraw/zinc/40/35/15/1415403515.db2.gz NTWQWPVPAOYQDU-UHFFFAOYSA-N -1 3 348.366 2.567 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001568491085 1416543059 /nfs/dbraw/zinc/54/30/59/1416543059.db2.gz BAVBPQJSYWNHTB-UHFFFAOYSA-N -1 3 346.475 2.552 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001687655820 1416851649 /nfs/dbraw/zinc/85/16/49/1416851649.db2.gz CDXLQFHAEOFPOM-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCCC(=O)N1CCC2(C[C@@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001687920846 1416899330 /nfs/dbraw/zinc/89/93/30/1416899330.db2.gz INXQZQOUIGHJID-KRWDZBQOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001698994333 1417361650 /nfs/dbraw/zinc/36/16/50/1417361650.db2.gz KSDRAOOHDLIAGM-IBGZPJMESA-N -1 3 346.475 2.552 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001701347754 1417719707 /nfs/dbraw/zinc/71/97/07/1417719707.db2.gz KIPQICLPCSCITR-KRWDZBQOSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001701722929 1417728639 /nfs/dbraw/zinc/72/86/39/1417728639.db2.gz NXRPEUBSIABEAN-DZGCQCFKSA-N -1 3 330.428 2.714 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001704360693 1417916040 /nfs/dbraw/zinc/91/60/40/1417916040.db2.gz NIZVLNBLOZHQGC-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704473580 1417955390 /nfs/dbraw/zinc/95/53/90/1417955390.db2.gz YYBCNIOOBAYAOQ-OAHLLOKOSA-N -1 3 344.455 2.915 10 30 EFEEHM CCCCCCCCC(=O)N1CCC[C@H](NC(=O)c2cn[n-]n2)[C@@H]1C ZINC001718726151 1422443939 /nfs/dbraw/zinc/44/39/39/1422443939.db2.gz JDZCQSAIOLSGBN-GJZGRUSLSA-N -1 3 349.479 2.665 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001718733737 1422450426 /nfs/dbraw/zinc/45/04/26/1422450426.db2.gz JUMMROOBJBLCTA-ZIAGYGMSSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001719035416 1422647323 /nfs/dbraw/zinc/64/73/23/1422647323.db2.gz FEUFPLBUOLLHPR-JKSUJKDBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001719154546 1422667490 /nfs/dbraw/zinc/66/74/90/1422667490.db2.gz OURYJDTWTZROCB-SQWLQELKSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CC(C)(C)CC(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720351130 1422868489 /nfs/dbraw/zinc/86/84/89/1422868489.db2.gz AWPJIJLFDGOVLN-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720375119 1422893737 /nfs/dbraw/zinc/89/37/37/1422893737.db2.gz OZCIHXFIHMVFGE-HUUCEWRRSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCCC1(C(=O)N2CCC[C@@H]2CNC(=O)c2ccccc2[O-])CC1 ZINC001721177496 1423511711 /nfs/dbraw/zinc/51/17/11/1423511711.db2.gz YYASYFDPYURCAC-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C(C)CCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721302445 1423634854 /nfs/dbraw/zinc/63/48/54/1423634854.db2.gz ORZKNAORNZKGPA-HNNXBMFYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001721428569 1423715194 /nfs/dbraw/zinc/71/51/94/1423715194.db2.gz UXUBJCLXEPYLAU-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C1CC(C)(C(=O)NC2(CNC(=O)c3ccccc3[O-])CCCC2)C1 ZINC001721608120 1423858752 /nfs/dbraw/zinc/85/87/52/1423858752.db2.gz LOPAFDLGMYREEO-UHFFFAOYSA-N -1 3 342.439 2.907 10 30 EFEEHM C=CCCC1(C(=O)NC/C=C/CNC(=O)c2ccccc2[O-])CC1 ZINC001721797434 1423991973 /nfs/dbraw/zinc/99/19/73/1423991973.db2.gz XXIXRTWZAXNHEW-VOTSOKGWSA-N -1 3 328.412 2.541 10 30 EFEEHM C=C[C@H](C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001721918666 1424068085 /nfs/dbraw/zinc/06/80/85/1424068085.db2.gz KQZZIXPQMJPWMQ-ZBFHGGJFSA-N -1 3 338.407 2.597 10 30 EFEEHM C=C[C@@H](C(=O)N[C@@H](C)CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001721942013 1424079963 /nfs/dbraw/zinc/07/99/63/1424079963.db2.gz KQZZIXPQMJPWMQ-GOEBONIOSA-N -1 3 338.407 2.597 10 30 EFEEHM C=CCCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001722250107 1424302659 /nfs/dbraw/zinc/30/26/59/1424302659.db2.gz PELUGLXYBSONCF-IBGZPJMESA-N -1 3 330.428 2.717 10 30 EFEEHM CCCCCCCN1CC2(C1)CN(C(=O)c1ccccc1[O-])CCO2 ZINC001724869390 1425085307 /nfs/dbraw/zinc/08/53/07/1425085307.db2.gz TVQAZBFZKSRIMH-UHFFFAOYSA-N -1 3 346.471 2.889 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001725878691 1425937645 /nfs/dbraw/zinc/93/76/45/1425937645.db2.gz DXOITUZOTQZUQA-NFOMZHRRSA-N -1 3 330.428 2.619 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000183651399 1426341838 /nfs/dbraw/zinc/34/18/38/1426341838.db2.gz LEQZZFOZVUOTTI-QMMMGPOBSA-N -1 3 327.818 2.708 10 30 EFEEHM COC[C@@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000893455421 715578907 /nfs/dbraw/zinc/57/89/07/715578907.db2.gz QZJKXGFGYNMGNT-AWEZNQCLSA-N -1 3 334.416 2.670 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CSc1nc2c(cnn2C)c(=O)[n-]1 ZINC000918171543 728845804 /nfs/dbraw/zinc/84/58/04/728845804.db2.gz RMAQTKRKMZZVRP-UHFFFAOYSA-N -1 3 325.397 2.850 10 30 EFEEHM C#CCC1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCOCC1 ZINC000895244123 723931558 /nfs/dbraw/zinc/93/15/58/723931558.db2.gz FCMPYFCTVGHZEL-UHFFFAOYSA-N -1 3 329.293 2.745 10 30 EFEEHM N#C[C@]1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CC2CCC1CC2 ZINC000913695757 725822823 /nfs/dbraw/zinc/82/28/23/725822823.db2.gz PZNGVWJTVRNBKP-JWIMFUQQSA-N -1 3 340.427 2.786 10 30 EFEEHM Cc1cc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc(C)c1C#N ZINC000913697062 725823452 /nfs/dbraw/zinc/82/34/52/725823452.db2.gz XIVNWIZNVFJBPA-UHFFFAOYSA-N -1 3 336.395 2.868 10 30 EFEEHM C=C(C)CN1CCC(NC(=O)N[C@@H](CCCC(C)C)C(=O)[O-])CC1 ZINC000908947841 727291588 /nfs/dbraw/zinc/29/15/88/727291588.db2.gz ZSWCBXQNFYNPIF-INIZCTEOSA-N -1 3 339.480 2.606 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@]12OCCC[C@H]1C2(F)F ZINC000912501150 727718600 /nfs/dbraw/zinc/71/86/00/727718600.db2.gz ATEPPSIZZIKKSU-OCCSQVGLSA-N -1 3 342.292 2.581 10 30 EFEEHM C=CCCCCCN1CC(N(C)C(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001569492805 1085298951 /nfs/dbraw/zinc/29/89/51/1085298951.db2.gz LIYDBAWEHOTXSP-UHFFFAOYSA-N -1 3 344.459 2.562 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001571987679 1087246604 /nfs/dbraw/zinc/24/66/04/1087246604.db2.gz QUVSUTYEVXCTRM-WMLDXEAASA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@@H]2C1 ZINC001572025687 1087262939 /nfs/dbraw/zinc/26/29/39/1087262939.db2.gz MDAVNJGHFXLJRY-OWCLPIDISA-N -1 3 342.439 2.715 10 30 EFEEHM C=CCCC1(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001572385899 1087448088 /nfs/dbraw/zinc/44/80/88/1087448088.db2.gz ITBHATWITCSSGO-CABCVRRESA-N -1 3 342.439 2.858 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CC1 ZINC001572385903 1087448173 /nfs/dbraw/zinc/44/81/73/1087448173.db2.gz ITBHATWITCSSGO-HUUCEWRRSA-N -1 3 342.439 2.858 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001572620537 1087567707 /nfs/dbraw/zinc/56/77/07/1087567707.db2.gz GODUOOLUONGDNF-HOTGVXAUSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001573095602 1087674772 /nfs/dbraw/zinc/67/47/72/1087674772.db2.gz CZGZPXKUALGJRY-INIZCTEOSA-N -1 3 342.439 2.834 10 30 EFEEHM Cc1nc(C)c(CCC(=O)N2CCCc3c(C#N)cccc32)c(=O)[n-]1 ZINC001647246396 1089158704 /nfs/dbraw/zinc/15/87/04/1089158704.db2.gz ZTBKFZFTBHKEJN-UHFFFAOYSA-N -1 3 336.395 2.583 10 30 EFEEHM C#Cc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)cc1 ZINC001647488191 1089482872 /nfs/dbraw/zinc/48/28/72/1089482872.db2.gz PFGJYCRHWUQAIA-UHFFFAOYSA-N -1 3 348.811 2.945 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001581351592 1091124430 /nfs/dbraw/zinc/12/44/30/1091124430.db2.gz PTHDZFSZQVEMSE-LSDHHAIUSA-N -1 3 332.444 2.819 10 30 EFEEHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2[nH]c3ccccc3c2C#N)n1 ZINC001583302598 1091958199 /nfs/dbraw/zinc/95/81/99/1091958199.db2.gz KRCAKKUFNKBAMJ-UHFFFAOYSA-N -1 3 335.367 2.509 10 30 EFEEHM C=CCCC1(C(=O)N2CC[C@](C)(NC(=O)c3ccccc3[O-])C2)CC1 ZINC001585796083 1092574204 /nfs/dbraw/zinc/57/42/04/1092574204.db2.gz KKINCGZQTGOKLX-IBGZPJMESA-N -1 3 342.439 2.859 10 30 EFEEHM N#Cc1ccnc(C(=O)[N-]c2nc(-c3cccnc3Cl)ns2)c1 ZINC001586077900 1092672519 /nfs/dbraw/zinc/67/25/19/1092672519.db2.gz MOMZWODHPRERIE-UHFFFAOYSA-N -1 3 342.771 2.772 10 30 EFEEHM Cc1cc(C(=O)Nc2ccc(O)cc2[O-])nn1-c1cccc(C#N)c1 ZINC001651154952 1093532065 /nfs/dbraw/zinc/53/20/65/1093532065.db2.gz IOQNPXLGHTXANW-UHFFFAOYSA-N -1 3 334.335 2.716 10 30 EFEEHM C=C1CCC(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC001651223709 1093541118 /nfs/dbraw/zinc/54/11/18/1093541118.db2.gz QWTOMZRSXLYJRW-UHFFFAOYSA-N -1 3 342.395 2.637 10 30 EFEEHM O=C(c1ccc(Br)[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001651237834 1093543523 /nfs/dbraw/zinc/54/35/23/1093543523.db2.gz BTLWIHMMGWTUIC-UHFFFAOYSA-N -1 3 341.136 2.720 10 30 EFEEHM O=C(CNC(=O)c1ccccc1Cl)N([O-])Cc1ccc(F)cc1 ZINC001651238382 1093543946 /nfs/dbraw/zinc/54/39/46/1093543946.db2.gz ZSFGBAMDCSUFAQ-UHFFFAOYSA-N -1 3 336.750 2.627 10 30 EFEEHM C#CCCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001595951816 1094506303 /nfs/dbraw/zinc/50/63/03/1094506303.db2.gz CKXXLHODNNASOU-UHFFFAOYSA-N -1 3 347.212 2.824 10 30 EFEEHM C[C@H](NC(=O)c1c[nH]c2cccc(C#N)c12)c1nc(C(F)(F)F)n[n-]1 ZINC001597931527 1094642484 /nfs/dbraw/zinc/64/24/84/1094642484.db2.gz SQKIOGKCUPRCMC-ZETCQYMHSA-N -1 3 348.288 2.667 10 30 EFEEHM CC(C)C[C@]1(C(=O)N([O-])CCCCc2ccccc2)CCNC1=O ZINC001611653475 1099027348 /nfs/dbraw/zinc/02/73/48/1099027348.db2.gz UCUNGVUQNFZHTK-LJQANCHMSA-N -1 3 332.444 2.780 10 30 EFEEHM N#CC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000040215443 1099150963 /nfs/dbraw/zinc/15/09/63/1099150963.db2.gz VNKCMPGBCANJJT-UHFFFAOYSA-N -1 3 335.248 2.625 10 30 EFEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001622519818 1099520199 /nfs/dbraw/zinc/52/01/99/1099520199.db2.gz RPOBWZKYSJHIAC-UMSPYCQHSA-N -1 3 342.804 2.719 10 30 EFEEHM N#Cc1cccc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)n1 ZINC001624008610 1099651013 /nfs/dbraw/zinc/65/10/13/1099651013.db2.gz IGBJRNNDPJBDHG-UHFFFAOYSA-N -1 3 349.244 2.711 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)Cc2ccco2)c1 ZINC001627068096 1099953984 /nfs/dbraw/zinc/95/39/84/1099953984.db2.gz QTLRLNMXPFSUFC-UHFFFAOYSA-N -1 3 339.351 2.666 10 30 EFEEHM COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C#N)[nH]c2C)c1[O-] ZINC001627122668 1099959348 /nfs/dbraw/zinc/95/93/48/1099959348.db2.gz ZMKAHCKWQZAZRP-UHFFFAOYSA-N -1 3 333.731 2.593 10 30 EFEEHM C#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)cc1F ZINC001627268753 1099975609 /nfs/dbraw/zinc/97/56/09/1099975609.db2.gz PUUDWBWZJJKSMQ-AWEZNQCLSA-N -1 3 345.761 2.956 10 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/nfs/dbraw/zinc/71/52/36/1100715236.db2.gz UPDFVFATZQQSLE-CYBMUJFWSA-N -1 3 346.383 2.697 10 30 EFEEHM CCCCCCCC[C@H](CO)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001637257498 1100768305 /nfs/dbraw/zinc/76/83/05/1100768305.db2.gz QBRJFERPCJMUFI-CYBMUJFWSA-N -1 3 337.416 2.962 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(F)c1Sc1ccccc1 ZINC001637459129 1100783794 /nfs/dbraw/zinc/78/37/94/1100783794.db2.gz MCNVRQFFNGWBMO-AWEZNQCLSA-N -1 3 346.383 2.697 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)c3[nH]c4ccccc4c3C#N)n[n-]2)o1 ZINC001638450164 1100861031 /nfs/dbraw/zinc/86/10/31/1100861031.db2.gz MQJMMELDWKBURA-UHFFFAOYSA-N -1 3 332.323 2.978 10 30 EFEEHM C=CCC(F)(F)C(=O)Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1 ZINC001638609197 1100873454 /nfs/dbraw/zinc/87/34/54/1100873454.db2.gz MLCWUPJJQPPYAD-UHFFFAOYSA-N -1 3 328.706 2.981 10 30 EFEEHM CC[C@@H](CC(C)C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001639054669 1100908196 /nfs/dbraw/zinc/90/81/96/1100908196.db2.gz WGXOATYBMQXTPH-AWEZNQCLSA-N -1 3 346.427 2.963 10 30 EFEEHM CC[C@H](CC(C)C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001639054670 1100908532 /nfs/dbraw/zinc/90/85/32/1100908532.db2.gz WGXOATYBMQXTPH-CQSZACIVSA-N -1 3 346.427 2.963 10 30 EFEEHM CCCCN([O-])C(=O)c1sccc1S(=O)(=O)N1CCCCC1 ZINC001639067013 1100909533 /nfs/dbraw/zinc/90/95/33/1100909533.db2.gz HJHDLWQCMBFINZ-UHFFFAOYSA-N -1 3 346.474 2.554 10 30 EFEEHM O=C(CNC(=O)c1cccc(Cl)c1)N([O-])Cc1ccc(F)cc1 ZINC001639079104 1100911267 /nfs/dbraw/zinc/91/12/67/1100911267.db2.gz ZJVSXTUVAWLGLC-UHFFFAOYSA-N -1 3 336.750 2.627 10 30 EFEEHM N#Cc1cnc(NCCNC(=O)c2ccc([O-])cc2)c2sccc21 ZINC001639293166 1100934765 /nfs/dbraw/zinc/93/47/65/1100934765.db2.gz GXVPKSWLZKCQAX-UHFFFAOYSA-N -1 3 338.392 2.715 10 30 EFEEHM C=C1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC001641273766 1101121357 /nfs/dbraw/zinc/12/13/57/1101121357.db2.gz CPVHRAVVKQQQOT-SFHVURJKSA-N -1 3 336.391 2.652 10 30 EFEEHM CC(=O)c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1[O-] ZINC001641844780 1101169243 /nfs/dbraw/zinc/16/92/43/1101169243.db2.gz KQDIZXDIGMWXNL-OAHLLOKOSA-N -1 3 333.347 2.787 10 30 EFEEHM CC(=O)c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1[O-] ZINC001641844777 1101169660 /nfs/dbraw/zinc/16/96/60/1101169660.db2.gz KQDIZXDIGMWXNL-HNNXBMFYSA-N -1 3 333.347 2.787 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC001641864990 1101171934 /nfs/dbraw/zinc/17/19/34/1101171934.db2.gz NJTVVBWFGUIXJL-UHFFFAOYSA-N -1 3 329.400 2.953 10 30 EFEEHM CCCCCCN([O-])C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC001641868105 1101171947 /nfs/dbraw/zinc/17/19/47/1101171947.db2.gz WLEBKSXFMDNJMK-CQSZACIVSA-N -1 3 344.452 2.811 10 30 EFEEHM N#Cc1cccc(-c2nc([N-]C(=O)c3cncc(F)c3Cl)n[nH]2)c1 ZINC001641929936 1101176071 /nfs/dbraw/zinc/17/60/71/1101176071.db2.gz KYVBZUHHURTUFU-UHFFFAOYSA-N -1 3 342.721 2.783 10 30 EFEEHM CC(C)(C(=O)Nc1cccc(Cc2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001642176861 1101195929 /nfs/dbraw/zinc/19/59/29/1101195929.db2.gz MMFBTKWPGFDVKB-UHFFFAOYSA-N -1 3 346.394 2.578 10 30 EFEEHM CC(C)(C(=O)Nc1cccc(Cc2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001642176861 1101195935 /nfs/dbraw/zinc/19/59/35/1101195935.db2.gz MMFBTKWPGFDVKB-UHFFFAOYSA-N -1 3 346.394 2.578 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCC(=O)c2ccc(Cl)cn2)c1 ZINC001642628345 1101229105 /nfs/dbraw/zinc/22/91/05/1101229105.db2.gz DIZAQLCAKKAGIN-UHFFFAOYSA-N -1 3 329.743 2.680 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1ccccc1O ZINC001642827891 1101245863 /nfs/dbraw/zinc/24/58/63/1101245863.db2.gz UWBLIZLOTHKYNO-ZDUSSCGKSA-N -1 3 339.395 2.791 10 30 EFEEHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc2ccccc21 ZINC001671562471 1101415096 /nfs/dbraw/zinc/41/50/96/1101415096.db2.gz XUCCZEKQNCHPBL-INIZCTEOSA-N -1 3 333.409 2.549 10 30 EFEEHM C=CC(C)(C)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001653484285 1101626647 /nfs/dbraw/zinc/62/66/47/1101626647.db2.gz BGXBBTMOPUDOFE-UHFFFAOYSA-N -1 3 335.201 2.985 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)C#Cc3cccs3)nc21 ZINC001653490604 1101627525 /nfs/dbraw/zinc/62/75/25/1101627525.db2.gz NBKQXABRGRPRAP-UHFFFAOYSA-N -1 3 339.376 2.791 10 30 EFEEHM Cc1oc(S(C)(=O)=O)cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001654813749 1101758475 /nfs/dbraw/zinc/75/84/75/1101758475.db2.gz AULKRRAOZIIXLD-UHFFFAOYSA-N -1 3 343.788 2.677 10 30 EFEEHM CCCCN([O-])C(=O)c1sc2nc(COC)nc(OC)c2c1C ZINC001654821290 1101758643 /nfs/dbraw/zinc/75/86/43/1101758643.db2.gz CFMUDWDIABZHET-UHFFFAOYSA-N -1 3 339.417 2.786 10 30 EFEEHM CCCCCCN([O-])C(=O)COc1cccc(N2CCCC2=O)c1 ZINC001654819386 1101759205 /nfs/dbraw/zinc/75/92/05/1101759205.db2.gz AFJFLHVQHKYOKA-UHFFFAOYSA-N -1 3 334.416 2.990 10 30 EFEEHM NC(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)nc1Cl ZINC001654814417 1101759411 /nfs/dbraw/zinc/75/94/11/1101759411.db2.gz UUUDKFPZPFVQSQ-UHFFFAOYSA-N -1 3 340.166 2.519 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1c2ncsc2ccc1Cl)C(C)C ZINC001655162817 1101790712 /nfs/dbraw/zinc/79/07/12/1101790712.db2.gz BJVAJIZWTGEDEI-SNVBAGLBSA-N -1 3 328.846 2.886 10 30 EFEEHM C[C@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@H]1c1ccccc1 ZINC001657416147 1102380604 /nfs/dbraw/zinc/38/06/04/1102380604.db2.gz SSBSHPKRYACSIN-KBXCAEBGSA-N -1 3 347.422 2.932 10 30 EFEEHM CCC(C#N)(CC)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000040365462 1102633724 /nfs/dbraw/zinc/63/37/24/1102633724.db2.gz NWQALDAGZSGTOA-UHFFFAOYSA-N -1 3 337.264 2.871 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)OC ZINC001666159695 1104887445 /nfs/dbraw/zinc/88/74/45/1104887445.db2.gz WSASFZHVGXZIRG-LBPRGKRZSA-N -1 3 349.811 2.655 10 30 EFEEHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001671911446 1105728791 /nfs/dbraw/zinc/72/87/91/1105728791.db2.gz NVOXPJXBBQSJMD-HNNXBMFYSA-N -1 3 339.457 2.873 10 30 EFEEHM C[C@@H](c1ccc(Cn2ccc(C=N[O-])nc2=O)cc1)C(F)(F)F ZINC000842030918 1106240441 /nfs/dbraw/zinc/24/04/41/1106240441.db2.gz NZRHLCOUDIHYKE-JTQLQIEISA-N -1 3 325.290 2.766 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233170 1106353630 /nfs/dbraw/zinc/35/36/30/1106353630.db2.gz HZXKSFNMIMLPCE-UGSOOPFHSA-N -1 3 332.448 2.603 10 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/nfs/dbraw/zinc/70/04/95/1107700495.db2.gz BSQSNNTYCZXSJZ-CYBMUJFWSA-N -1 3 344.864 2.706 10 30 EFEEHM CO[C@@H]1CCn2cc(C(=O)N([O-])Cc3ccccc3Cl)nc2C1 ZINC000904192446 1107706005 /nfs/dbraw/zinc/70/60/05/1107706005.db2.gz MDIMXCCDAJBDKW-GFCCVEGCSA-N -1 3 335.791 2.529 10 30 EFEEHM Cn1ncc2c1C[C@@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904198078 1107709731 /nfs/dbraw/zinc/70/97/31/1107709731.db2.gz SDMRUELOQUNQOM-INIZCTEOSA-N -1 3 327.428 2.766 10 30 EFEEHM CCC(=O)N1CCC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904201178 1107713505 /nfs/dbraw/zinc/71/35/05/1107713505.db2.gz LOCJJJJLJGGXBC-QGZVFWFLSA-N -1 3 332.444 2.876 10 30 EFEEHM O=C(CNC(=O)c1ccccc1)N([O-])CCCCc1ccccc1 ZINC000904201518 1107713562 /nfs/dbraw/zinc/71/35/62/1107713562.db2.gz VKQSPBBXDGMOSE-UHFFFAOYSA-N -1 3 326.396 2.657 10 30 EFEEHM O=C(NCCC(=O)N([O-])CCCCc1ccccc1)c1ccco1 ZINC000904201851 1107714164 /nfs/dbraw/zinc/71/41/64/1107714164.db2.gz JJQRWRCVKYUZGZ-UHFFFAOYSA-N -1 3 330.384 2.640 10 30 EFEEHM CCCCCCN([O-])C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12 ZINC000904204954 1107718401 /nfs/dbraw/zinc/71/84/01/1107718401.db2.gz WCBZUXWGEDEKCL-IPYPFGDCSA-N -1 3 343.493 2.510 10 30 EFEEHM CCCCCCN([O-])C(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000904205545 1107720030 /nfs/dbraw/zinc/72/00/30/1107720030.db2.gz MJXFOEUCJKJWBN-GFCCVEGCSA-N -1 3 343.449 2.841 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H](C)CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001679909237 1107730067 /nfs/dbraw/zinc/73/00/67/1107730067.db2.gz XLARFCADMURGOA-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001680498644 1107902022 /nfs/dbraw/zinc/90/20/22/1107902022.db2.gz MLDIRRITJVBCNN-ZIAGYGMSSA-N -1 3 330.428 2.714 10 30 EFEEHM C#CCCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001680661345 1108003222 /nfs/dbraw/zinc/00/32/22/1108003222.db2.gz XZHLEXXBLAVYEK-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C[C@@H](C)[C@@H](C)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001681925943 1108483871 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COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435436843 248241339 /nfs/dbraw/zinc/24/13/39/248241339.db2.gz HOKVVDQQYOUKNQ-NSHDSACASA-N -1 3 336.438 2.538 10 30 EFEEHM Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)o1 ZINC000442827094 250128499 /nfs/dbraw/zinc/12/84/99/250128499.db2.gz KQKRVKWSSNYBSF-NSHDSACASA-N -1 3 336.388 2.898 10 30 EFEEHM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000443081846 250158425 /nfs/dbraw/zinc/15/84/25/250158425.db2.gz RFMMKRGFYQPKNB-LBPRGKRZSA-N -1 3 348.399 2.615 10 30 EFEEHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000443149669 250165558 /nfs/dbraw/zinc/16/55/58/250165558.db2.gz XVZNSOYRNLIVPS-LBPRGKRZSA-N -1 3 335.351 2.707 10 30 EFEEHM COC(=O)c1c(C)nc(=O)[n-]c1SCC#Cc1ccccc1Cl ZINC000162753057 533658650 /nfs/dbraw/zinc/65/86/50/533658650.db2.gz NLBFYZIJPPNMRH-UHFFFAOYSA-N -1 3 348.811 2.662 10 30 EFEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cs1 ZINC000107703604 141357532 /nfs/dbraw/zinc/35/75/32/141357532.db2.gz 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270022972 /nfs/dbraw/zinc/02/29/72/270022972.db2.gz KRCTWADXMFOYKJ-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053526782 270022973 /nfs/dbraw/zinc/02/29/73/270022973.db2.gz KRCTWADXMFOYKJ-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053526782 270022974 /nfs/dbraw/zinc/02/29/74/270022974.db2.gz KRCTWADXMFOYKJ-LLVKDONJSA-N -1 3 334.339 2.794 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(C)C)cc1C#N ZINC000489786798 268086199 /nfs/dbraw/zinc/08/61/99/268086199.db2.gz MARLGVKHZIJUMN-GFCCVEGCSA-N -1 3 335.351 2.517 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cc1C#N ZINC000427260662 268086524 /nfs/dbraw/zinc/08/65/24/268086524.db2.gz OXKCQQNYUDTZHK-UHFFFAOYSA-N -1 3 343.742 2.994 10 30 EFEEHM N#Cc1ccc(OC2CCN(C(=O)c3c([O-])cccc3O)CC2)cc1 ZINC000271238477 268165751 /nfs/dbraw/zinc/16/57/51/268165751.db2.gz BPQBVMBIBBGTCW-UHFFFAOYSA-N -1 3 338.363 2.653 10 30 EFEEHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(CC4CC4)nn3)sc2C1 ZINC000568365251 319275845 /nfs/dbraw/zinc/27/58/45/319275845.db2.gz XHRGERSOTKBHSN-SNVBAGLBSA-N -1 3 341.440 2.998 10 30 EFEEHM O=c1[n-]nc(SCC#Cc2ccccc2Cl)n1C[C@H]1CCCO1 ZINC000162719125 473374751 /nfs/dbraw/zinc/37/47/51/473374751.db2.gz XLKZOJXOBZACIP-CYBMUJFWSA-N -1 3 349.843 2.548 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000625328609 479869292 /nfs/dbraw/zinc/86/92/92/479869292.db2.gz YMDMXLNSGOOKSF-UHFFFAOYSA-N -1 3 340.420 2.591 10 30 EFEEHM C=CCCCS(=O)(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625371171 479889942 /nfs/dbraw/zinc/88/99/42/479889942.db2.gz NTDJOPZNTWPNEQ-TZMCWYRMSA-N -1 3 349.374 2.807 10 30 EFEEHM O=C(c1ccccc1)N1CCC(/N=C/c2ccc(O)c([O-])c2O)CC1 ZINC000016703062 471948137 /nfs/dbraw/zinc/94/81/37/471948137.db2.gz YLGZKLLFSCEUHH-UDWIEESQSA-N -1 3 340.379 2.527 10 30 EFEEHM C=CCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000042925417 472183209 /nfs/dbraw/zinc/18/32/09/472183209.db2.gz 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477896282 /nfs/dbraw/zinc/89/62/82/477896282.db2.gz OWLKTPLHUZAMJQ-UHFFFAOYSA-N -1 3 325.434 2.736 10 30 EFEEHM N#Cc1cc(F)c(C(=O)[N-]c2nc3ccccc3c(=O)[nH]2)c(F)c1 ZINC000531509293 477905207 /nfs/dbraw/zinc/90/52/07/477905207.db2.gz ANVGQTNSQYEMDE-UHFFFAOYSA-N -1 3 326.262 2.738 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-]CCCC(F)(F)F)ccc1Cl ZINC000439219520 477943712 /nfs/dbraw/zinc/94/37/12/477943712.db2.gz AMQZMAVGVKNMBJ-UHFFFAOYSA-N -1 3 326.727 2.832 10 30 EFEEHM N#CC(=C([O-])c1ccc2c(n1)CCCC2)c1nnc2n1CCCCC2 ZINC000533087123 478032052 /nfs/dbraw/zinc/03/20/52/478032052.db2.gz XIEASGWONNNRBQ-AWEZNQCLSA-N -1 3 335.411 2.768 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000517585824 478106375 /nfs/dbraw/zinc/10/63/75/478106375.db2.gz HSAJGRMIXNCMRS-UHFFFAOYSA-N -1 3 328.390 2.628 10 30 EFEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000594480566 478404856 /nfs/dbraw/zinc/40/48/56/478404856.db2.gz WJRDMGNMRYHFGE-HAQNSBGRSA-N -1 3 342.848 2.836 10 30 EFEEHM CCOC(=O)[C@@H]([N-]S(=O)(=O)CCCCC#N)C1CCCCCC1 ZINC000594482812 478405528 /nfs/dbraw/zinc/40/55/28/478405528.db2.gz ZFWKFTZXEARFAZ-HNNXBMFYSA-N -1 3 344.477 2.502 10 30 EFEEHM N#CCCCCS(=O)(=O)[N-][C@H](Cc1ccccc1)c1ncco1 ZINC000594488004 478407006 /nfs/dbraw/zinc/40/70/06/478407006.db2.gz OOBWEYSTIQSWNV-OAHLLOKOSA-N -1 3 333.413 2.572 10 30 EFEEHM CC(C)(CC#N)CS(=O)(=O)[N-][C@@H](Cc1ccccc1)c1ncco1 ZINC000594487581 478407328 /nfs/dbraw/zinc/40/73/28/478407328.db2.gz MSCZUPVTKPCEND-HNNXBMFYSA-N -1 3 347.440 2.818 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCCO1 ZINC000594487571 478407713 /nfs/dbraw/zinc/40/77/13/478407713.db2.gz NOKISIJAMNKZKK-UONOGXRCSA-N -1 3 342.848 2.838 10 30 EFEEHM CCOc1cc(CN2CC[C@@](F)(C#N)C2)cc(Br)c1[O-] ZINC000590962068 478419006 /nfs/dbraw/zinc/41/90/06/478419006.db2.gz NUMDFYUOFGATSV-CQSZACIVSA-N -1 3 343.196 2.991 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c1ccc(F)cc1 ZINC000600668772 478459489 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COc1ccc(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1OCCCC#N ZINC000583204269 478791392 /nfs/dbraw/zinc/79/13/92/478791392.db2.gz GAKWOCSGQCBEIN-GOEBONIOSA-N -1 3 346.427 2.920 10 30 EFEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]CC(C)(C)C(F)(F)F ZINC000601411169 478824913 /nfs/dbraw/zinc/82/49/13/478824913.db2.gz ZMVFHTKJHZEYAJ-UHFFFAOYSA-N -1 3 338.326 2.873 10 30 EFEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]C[C@@H]1C(C)(C)C1(F)F ZINC000601468221 478846457 /nfs/dbraw/zinc/84/64/57/478846457.db2.gz LKIFAQODMZTJJI-LLVKDONJSA-N -1 3 332.347 2.575 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](Sc2ccccc2)C1 ZINC000601511959 478859151 /nfs/dbraw/zinc/85/91/51/478859151.db2.gz OEIMGAPSLSJHFJ-MQMHXKEQSA-N -1 3 345.449 2.555 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1([C@H]2CCCCO2)CCC1 ZINC000601521385 478863270 /nfs/dbraw/zinc/86/32/70/478863270.db2.gz XWJDLPODOCGVML-CQSZACIVSA-N -1 3 340.470 2.637 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)c1 ZINC000601526373 478864298 /nfs/dbraw/zinc/86/42/98/478864298.db2.gz LECYIIWCAWSFIR-CYBMUJFWSA-N -1 3 347.827 2.615 10 30 EFEEHM N#CC(=C([O-])c1cccc(COC2CCOCC2)c1)c1ccncn1 ZINC000544815939 478868488 /nfs/dbraw/zinc/86/84/88/478868488.db2.gz KQKWMYPKIJPPPT-QGZVFWFLSA-N -1 3 337.379 2.662 10 30 EFEEHM CCN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C[C@H](C)C#N ZINC000505890497 478889382 /nfs/dbraw/zinc/88/93/82/478889382.db2.gz BUGBODWXDHLNNF-CYBMUJFWSA-N -1 3 336.399 2.503 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000572765652 478914221 /nfs/dbraw/zinc/91/42/21/478914221.db2.gz ZQGPZJBDRIEZOF-CQSZACIVSA-N -1 3 342.848 2.641 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(CC(F)F)C1 ZINC000592834733 479065967 /nfs/dbraw/zinc/06/59/67/479065967.db2.gz HQUGMYMYAMVWSR-UHFFFAOYSA-N -1 3 337.370 2.712 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000611013162 479263101 /nfs/dbraw/zinc/26/31/01/479263101.db2.gz DFRXQOMIWWRVJR-UHFFFAOYSA-N -1 3 331.180 2.937 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(F)c1 ZINC000611017346 479265037 /nfs/dbraw/zinc/26/50/37/479265037.db2.gz NGZIAUHYMYBJTO-UHFFFAOYSA-N -1 3 349.774 2.701 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1c(C)csc1C(=O)OC ZINC000599361697 479270216 /nfs/dbraw/zinc/27/02/16/479270216.db2.gz XDCDMZYONBPVPM-UHFFFAOYSA-N -1 3 331.459 2.724 10 30 EFEEHM CSc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccn1 ZINC000611231243 479317658 /nfs/dbraw/zinc/31/76/58/479317658.db2.gz QKUDJKOLBCEFSA-UHFFFAOYSA-N -1 3 342.424 2.964 10 30 EFEEHM CCOc1cc(-c2noc(CC3(C#N)CCOCC3)n2)ccc1[O-] ZINC000596594177 479352581 /nfs/dbraw/zinc/35/25/81/479352581.db2.gz IFDHGBVKDYHJST-UHFFFAOYSA-N -1 3 329.356 2.704 10 30 EFEEHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccsc2C#N)N(C)C)cc1 ZINC000593536920 479381129 /nfs/dbraw/zinc/38/11/29/479381129.db2.gz WYQARVZXUFZISU-CQSZACIVSA-N -1 3 349.481 2.509 10 30 EFEEHM CCc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539866 479382276 /nfs/dbraw/zinc/38/22/76/479382276.db2.gz HSRZWGIOVSRNSV-ZDUSSCGKSA-N -1 3 348.449 2.984 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1cccs1 ZINC000593545389 479383157 /nfs/dbraw/zinc/38/31/57/479383157.db2.gz DJXLOJRHRMOAGO-UHFFFAOYSA-N -1 3 326.468 2.937 10 30 EFEEHM CC(C)(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593546630 479384131 /nfs/dbraw/zinc/38/41/31/479384131.db2.gz HZZRWFIPAJEVGI-RISCZKNCSA-N -1 3 342.486 2.739 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc2C1 ZINC000593548378 479385176 /nfs/dbraw/zinc/38/51/76/479385176.db2.gz XSDHEBSHEZQEQB-GFCCVEGCSA-N -1 3 332.450 2.703 10 30 EFEEHM CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593559981 479387473 /nfs/dbraw/zinc/38/74/73/479387473.db2.gz QFINQZNINLCKLQ-QWRGUYRKSA-N -1 3 330.500 2.962 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000593558177 479387634 /nfs/dbraw/zinc/38/76/34/479387634.db2.gz FZIZOPJICSYUGW-MMPTUQATSA-N -1 3 348.449 2.851 10 30 EFEEHM CCC(CC)[C@@H](CC[N-]S(=O)(=O)c1ccsc1C#N)OC ZINC000593565985 479389476 /nfs/dbraw/zinc/38/94/76/479389476.db2.gz DPCFHXUAISFZPC-GFCCVEGCSA-N -1 3 330.475 2.739 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000593577122 479392366 /nfs/dbraw/zinc/39/23/66/479392366.db2.gz AHSPRSGVNHYETI-KGLIPLIRSA-N -1 3 348.449 2.818 10 30 EFEEHM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc21 ZINC000593608270 479400679 /nfs/dbraw/zinc/40/06/79/479400679.db2.gz KQLIIEHEVDNPCI-CYBMUJFWSA-N -1 3 347.465 2.869 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCCC1 ZINC000593620320 479405100 /nfs/dbraw/zinc/40/51/00/479405100.db2.gz NEDORYZZGNIWFL-UHFFFAOYSA-N -1 3 330.812 2.982 10 30 EFEEHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1C ZINC000593621235 479405467 /nfs/dbraw/zinc/40/54/67/479405467.db2.gz WQRLRMDXONDDAH-UHFFFAOYSA-N -1 3 337.401 2.574 10 30 EFEEHM CC(C)(C)C1CCC(C#N)([N-]S(=O)(=O)c2cscn2)CC1 ZINC000575749835 479466745 /nfs/dbraw/zinc/46/67/45/479466745.db2.gz XJZNDUGTYUXXJS-UHFFFAOYSA-N -1 3 327.475 2.920 10 30 EFEEHM C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000614923582 479549199 /nfs/dbraw/zinc/54/91/99/479549199.db2.gz CPRRYJLHMRAPME-HNNXBMFYSA-N -1 3 337.217 2.849 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C)C(C)(F)F ZINC000594063674 479575330 /nfs/dbraw/zinc/57/53/30/479575330.db2.gz YDDTUYPHFXNWNP-UHFFFAOYSA-N -1 3 325.359 2.758 10 30 EFEEHM CC(C)C[C@H](C#N)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000590206122 479617285 /nfs/dbraw/zinc/61/72/85/479617285.db2.gz HDYAGABYANMNDH-GFCCVEGCSA-N -1 3 325.206 2.752 10 30 EFEEHM C=CCn1c([C@@H](C)CC)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634342103 480263871 /nfs/dbraw/zinc/26/38/71/480263871.db2.gz ZTNRWXZRWKUINB-AWEZNQCLSA-N -1 3 343.479 2.606 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F ZINC000632640976 480661782 /nfs/dbraw/zinc/66/17/82/480661782.db2.gz LYCATBMTVAZRNM-UHFFFAOYSA-N -1 3 342.392 2.531 10 30 EFEEHM C=CCOc1ccc(CN2CC[C@](COC)(C(=O)[O-])C2)cc1Cl ZINC000635316822 480820783 /nfs/dbraw/zinc/82/07/83/480820783.db2.gz CYZODNLQWZFXHB-KRWDZBQOSA-N -1 3 339.819 2.828 10 30 EFEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000658868439 481090053 /nfs/dbraw/zinc/09/00/53/481090053.db2.gz OZNZWWBARURYEI-IYBDPMFKSA-N -1 3 336.395 2.520 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000664293766 481156894 /nfs/dbraw/zinc/15/68/94/481156894.db2.gz XJEDXAAWOBZIER-XHDPSFHLSA-N -1 3 327.384 2.827 10 30 EFEEHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Br)cc1[O-] ZINC000666328998 482283390 /nfs/dbraw/zinc/28/33/90/482283390.db2.gz BBMDHSUCHPOYHO-LBPRGKRZSA-N -1 3 341.205 2.564 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(COc3ccccc3C#N)c2)[n-]1 ZINC000183011052 524980281 /nfs/dbraw/zinc/98/02/81/524980281.db2.gz CBNAMXDMNVZKGR-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nc(NC(=O)c2cccc(COc3ccccc3C#N)c2)n[n-]1 ZINC000183011052 524980293 /nfs/dbraw/zinc/98/02/93/524980293.db2.gz CBNAMXDMNVZKGR-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(COc3ccccc3C#N)c2)n1 ZINC000183011052 524980298 /nfs/dbraw/zinc/98/02/98/524980298.db2.gz CBNAMXDMNVZKGR-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nnc(NC(=O)c2ccccc2Oc2ccccc2C#N)[n-]1 ZINC000183000522 524985591 /nfs/dbraw/zinc/98/55/91/524985591.db2.gz LKKGLPBKNOXIAV-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM COc1nc(NC(=O)c2ccccc2Oc2ccccc2C#N)n[n-]1 ZINC000183000522 524985602 /nfs/dbraw/zinc/98/56/02/524985602.db2.gz LKKGLPBKNOXIAV-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM COc1n[n-]c(NC(=O)c2ccccc2Oc2ccccc2C#N)n1 ZINC000183000522 524985616 /nfs/dbraw/zinc/98/56/16/524985616.db2.gz LKKGLPBKNOXIAV-UHFFFAOYSA-N -1 3 335.323 2.730 10 30 EFEEHM C[C@@H](Oc1ccccc1C#N)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181105973 525956222 /nfs/dbraw/zinc/95/62/22/525956222.db2.gz BCSLGXGMPSENMA-CYBMUJFWSA-N -1 3 333.351 2.545 10 30 EFEEHM N#CC1(NC(=O)CSc2n[n-]c(-c3cccs3)n2)CCCC1 ZINC000005018068 526437835 /nfs/dbraw/zinc/43/78/35/526437835.db2.gz BLMTVYUCTGJVHL-UHFFFAOYSA-N -1 3 333.442 2.578 10 30 EFEEHM C=C(C)CN(CC)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000154685074 526519291 /nfs/dbraw/zinc/51/92/91/526519291.db2.gz PCIIGYBUGDCIID-UHFFFAOYSA-N -1 3 338.429 2.596 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1 ZINC000177998275 526634352 /nfs/dbraw/zinc/63/43/52/526634352.db2.gz WVSWVYPPPHEBEU-CYBMUJFWSA-N -1 3 334.784 2.624 10 30 EFEEHM C=CCCCN(C)C(=O)C(=O)[N-]c1scc(C)c1C(=O)OCC ZINC000174943012 527181896 /nfs/dbraw/zinc/18/18/96/527181896.db2.gz OUGNDDGTZKPIJJ-UHFFFAOYSA-N -1 3 338.429 2.596 10 30 EFEEHM COC1CCC(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000427046239 536725125 /nfs/dbraw/zinc/72/51/25/536725125.db2.gz ORNGXRWMIRNRIG-UHFFFAOYSA-N -1 3 345.443 2.530 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000655634782 546510039 /nfs/dbraw/zinc/51/00/39/546510039.db2.gz OKGDIPKPFXGOHX-UHFFFAOYSA-N -1 3 328.409 2.809 10 30 EFEEHM COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)N[O-])cc1OC ZINC000671996967 547691612 /nfs/dbraw/zinc/69/16/12/547691612.db2.gz XMTUBGLYNOYIOV-UHFFFAOYSA-N -1 3 339.351 2.676 10 30 EFEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(CC(F)(F)F)c1 ZINC000682497264 549750127 /nfs/dbraw/zinc/75/01/27/549750127.db2.gz FCYWNEZUCWSMGS-NSHDSACASA-N -1 3 347.300 2.822 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)[N-]c1nc(C)nn1-c1ccccc1 ZINC000758325235 575866723 /nfs/dbraw/zinc/86/67/23/575866723.db2.gz ZHHRFPNBHCURDS-MRXNPFEDSA-N -1 3 343.431 2.907 10 30 EFEEHM C#CC[N-]C(=S)C(C(=O)c1ccc(C)cc1)[n+]1cc([O-])ccc1C ZINC000759055104 575883718 /nfs/dbraw/zinc/88/37/18/575883718.db2.gz RYOASQZILFCQKJ-UHFFFAOYSA-O -1 3 339.440 2.731 10 30 EFEEHM CCOC(=O)[C@H](Cc1ccccn1)/N=C/c1ccc(OCC)cc1[O-] ZINC000760990797 576097906 /nfs/dbraw/zinc/09/79/06/576097906.db2.gz RSQJTCRMGOMHPV-RSZPVBOMSA-N -1 3 342.395 2.779 10 30 EFEEHM Cc1ncc(CO)c(/C=N/Cc2ncc(-c3ccccc3)cn2)c1[O-] ZINC000763364781 576374295 /nfs/dbraw/zinc/37/42/95/576374295.db2.gz ZCHBNHHHAYRNSD-KEBDBYFISA-N -1 3 334.379 2.664 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000765493466 577046861 /nfs/dbraw/zinc/04/68/61/577046861.db2.gz IAMVTJGQNZYQMH-KZULUSFZSA-N -1 3 330.384 2.643 10 30 EFEEHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(Cl)c(F)c1 ZINC000765575395 577055619 /nfs/dbraw/zinc/05/56/19/577055619.db2.gz DMVRAMQSLQPFCM-UHFFFAOYSA-N -1 3 334.742 2.698 10 30 EFEEHM COc1ccc(COC(=O)c2ccc3c(C=O)n[n-]c3c2)cc1C#N ZINC000766172705 577116739 /nfs/dbraw/zinc/11/67/39/577116739.db2.gz HCACRZCCFGLQSN-UHFFFAOYSA-N -1 3 335.319 2.613 10 30 EFEEHM COc1ccc(COC(=O)c2ccc3c(c2)n[n-]c3C=O)cc1C#N ZINC000766172705 577116741 /nfs/dbraw/zinc/11/67/41/577116741.db2.gz HCACRZCCFGLQSN-UHFFFAOYSA-N -1 3 335.319 2.613 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)O[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000767753205 577231819 /nfs/dbraw/zinc/23/18/19/577231819.db2.gz ZQMHCCDIIQGIKH-STQMWFEESA-N -1 3 339.392 2.824 10 30 EFEEHM COc1c(O)cccc1/C=C/C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000726427739 577364439 /nfs/dbraw/zinc/36/44/39/577364439.db2.gz VDVIOQFISBOIHJ-DHZHZOJOSA-N -1 3 347.392 2.668 10 30 EFEEHM COc1cc(C=NNCc2ccc(F)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000727060406 577432252 /nfs/dbraw/zinc/43/22/52/577432252.db2.gz OCAAUUBJTCJGCW-UHFFFAOYSA-N -1 3 337.282 2.711 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773058108 581391839 /nfs/dbraw/zinc/39/18/39/581391839.db2.gz RBRLPXUXYQPGGW-KBPBESRZSA-N -1 3 348.251 2.594 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000773873497 581471441 /nfs/dbraw/zinc/47/14/41/581471441.db2.gz ZKNDFUKWTAADLS-OLZOCXBDSA-N -1 3 343.420 2.781 10 30 EFEEHM Cc1ccc(S(=O)(=O)NN=Cc2cc(Cl)cc(C)c2[O-])cc1 ZINC000774574448 581494441 /nfs/dbraw/zinc/49/44/41/581494441.db2.gz HMBVWCSHXUSAGY-UHFFFAOYSA-N -1 3 338.816 2.975 10 30 EFEEHM Cc1cc(Cl)cc(C=N[N-]S(=O)(=O)Cc2ccccc2)c1O ZINC000774586266 581494737 /nfs/dbraw/zinc/49/47/37/581494737.db2.gz HFRJVRIKABMSPJ-UHFFFAOYSA-N -1 3 338.816 2.808 10 30 EFEEHM C=CCC1(C(=O)NCCCN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001687617575 1247855779 /nfs/dbraw/zinc/85/57/79/1247855779.db2.gz GVPGZFWPVXEOKS-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001744853125 1248312601 /nfs/dbraw/zinc/31/26/01/1248312601.db2.gz JBXBEFRAAATXDO-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C#C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851534264 1251064498 /nfs/dbraw/zinc/06/44/98/1251064498.db2.gz MVDGZDATKWRFIB-NHYWBVRUSA-N -1 3 339.388 2.546 10 30 EFEEHM Cn1ncc(Br)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001649046380 1257972166 /nfs/dbraw/zinc/97/21/66/1257972166.db2.gz RRJFLWVUWIFZLY-UHFFFAOYSA-N -1 3 344.596 2.868 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 ZINC001649056497 1258057057 /nfs/dbraw/zinc/05/70/57/1258057057.db2.gz BJMCTDFQQZZSGW-NSHDSACASA-N -1 3 340.807 2.719 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001649060768 1258095932 /nfs/dbraw/zinc/09/59/32/1258095932.db2.gz AYVJMHHTZQCLDV-OAHLLOKOSA-N -1 3 349.387 2.526 10 30 EFEEHM CN(C)Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)no1 ZINC001649069909 1258160220 /nfs/dbraw/zinc/16/02/20/1258160220.db2.gz LRKGSDPWMIMOFL-UHFFFAOYSA-N -1 3 325.368 2.921 10 30 EFEEHM COC(=O)c1ccc(CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001649070003 1258160333 /nfs/dbraw/zinc/16/03/33/1258160333.db2.gz OYSRTIABVMQYBH-UHFFFAOYSA-N -1 3 331.343 2.963 10 30 EFEEHM C=CCC(C)(C)C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001487246465 1261502185 /nfs/dbraw/zinc/50/21/85/1261502185.db2.gz ZLRXLTOTUGBRTO-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM CSc1c(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cnn1C ZINC000791772242 1278318811 /nfs/dbraw/zinc/31/88/11/1278318811.db2.gz OGJMZNPBDSVRSM-NSHDSACASA-N -1 3 348.815 2.757 10 30 EFEEHM Cc1cccc2[nH]c(C(C#N)=C([O-])C(=O)c3cnn(C(C)(C)C)c3)nc21 ZINC000735787334 1267424400 /nfs/dbraw/zinc/42/44/00/1267424400.db2.gz BCYJTVVERHNSDM-CYBMUJFWSA-N -1 3 349.394 2.882 10 30 EFEEHM C=CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000740214582 1268861950 /nfs/dbraw/zinc/86/19/50/1268861950.db2.gz JSRVDDOECMLNMI-UHFFFAOYSA-N -1 3 338.360 2.688 10 30 EFEEHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(OC)c1 ZINC000740761905 1269040720 /nfs/dbraw/zinc/04/07/20/1269040720.db2.gz QCNZPZHDDLBZEJ-UHFFFAOYSA-N -1 3 332.425 2.929 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c[nH]c(-c2ccccc2)n1 ZINC000741461118 1269538442 /nfs/dbraw/zinc/53/84/42/1269538442.db2.gz DVCSMGXXWJWHSO-UHFFFAOYSA-N -1 3 340.408 2.530 10 30 EFEEHM FC(F)(F)COc1ccccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000741761394 1269683332 /nfs/dbraw/zinc/68/33/32/1269683332.db2.gz CKZYURWJSZHISH-UHFFFAOYSA-N -1 3 336.277 2.740 10 30 EFEEHM COc1ccc(Br)c(CNN=Cc2ccc([O-])cn2)c1 ZINC000788729399 1276282638 /nfs/dbraw/zinc/28/26/38/1276282638.db2.gz VECPWIHSIQHBMC-UHFFFAOYSA-N -1 3 336.189 2.682 10 30 EFEEHM C#CCn1ccc(CN(CCOC)Cc2c([O-])cccc2Cl)n1 ZINC000789761387 1276969322 /nfs/dbraw/zinc/96/93/22/1276969322.db2.gz BAXANRXFEYTANN-UHFFFAOYSA-N -1 3 333.819 2.524 10 30 EFEEHM C[C@@H](Oc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1)c1ccccc1 ZINC000820179552 1277061259 /nfs/dbraw/zinc/06/12/59/1277061259.db2.gz MICQWWHJOHDDKZ-DYVFJYSZSA-N -1 3 340.379 2.547 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000820180384 1277063482 /nfs/dbraw/zinc/06/34/82/1277063482.db2.gz XIJDDFKSUQXNKK-OAHLLOKOSA-N -1 3 346.770 2.852 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487148333 1277298171 /nfs/dbraw/zinc/29/81/71/1277298171.db2.gz LKDMZOHAPAQODV-UONOGXRCSA-N -1 3 330.428 2.571 10 30 EFEEHM C[C@H](C(=O)[O-])N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923272301 1277443254 /nfs/dbraw/zinc/44/32/54/1277443254.db2.gz GTPGZFZOPGMMNS-HSUXUTPPSA-N -1 3 341.198 2.562 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)CCCC1 ZINC000845965468 1279967450 /nfs/dbraw/zinc/96/74/50/1279967450.db2.gz GNTJIVLQWNCAJG-UHFFFAOYSA-N -1 3 334.228 2.751 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000846555002 1280246881 /nfs/dbraw/zinc/24/68/81/1280246881.db2.gz PSHDJWLOKJWZDU-CHWSQXEVSA-N -1 3 342.436 2.761 10 30 EFEEHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000846536175 1280250542 /nfs/dbraw/zinc/25/05/42/1280250542.db2.gz WLQMCFQMXGNKBL-INIZCTEOSA-N -1 3 332.400 2.659 10 30 EFEEHM C#CCN1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001147291031 1281141948 /nfs/dbraw/zinc/14/19/48/1281141948.db2.gz FOXKVWXZBUQETE-UHFFFAOYSA-N -1 3 348.446 2.764 10 30 EFEEHM COc1cc(COC(=O)c2cc([O-])cc(C#N)c2)ccc1[N+](=O)[O-] ZINC000811186113 1284094198 /nfs/dbraw/zinc/09/41/98/1284094198.db2.gz CSNTWHFGJUSMRW-UHFFFAOYSA-N -1 3 328.280 2.538 10 30 EFEEHM Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)c(F)c2)cc1 ZINC000816697145 1288248474 /nfs/dbraw/zinc/24/84/74/1288248474.db2.gz SJBJXZUMIZYNDJ-MRXNPFEDSA-N -1 3 328.343 2.521 10 30 EFEEHM C=CCN(CC(=O)OCC)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000816954432 1288339127 /nfs/dbraw/zinc/33/91/27/1288339127.db2.gz ARXGFWJTCKCDHI-UHFFFAOYSA-N -1 3 331.290 2.602 10 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/nfs/dbraw/zinc/97/57/38/1295975738.db2.gz JXOZNYCEXPWYPP-IUODEOHRSA-N -1 3 343.383 2.659 10 30 EFEEHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001488191343 1296375930 /nfs/dbraw/zinc/37/59/30/1296375930.db2.gz SCLPTFTWHNZXIM-KGLIPLIRSA-N -1 3 330.428 2.714 10 30 EFEEHM CCn1c(C)cc(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1C ZINC000776278630 1297350556 /nfs/dbraw/zinc/35/05/56/1297350556.db2.gz BYMYQHJDAKOXKD-UHFFFAOYSA-N -1 3 326.352 2.742 10 30 EFEEHM N#Cc1ccccc1N1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000853410892 1300108141 /nfs/dbraw/zinc/10/81/41/1300108141.db2.gz BXSKYANOODMBPW-UHFFFAOYSA-N -1 3 339.355 2.648 10 30 EFEEHM CCO[C@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000859478144 1301473237 /nfs/dbraw/zinc/47/32/37/1301473237.db2.gz RVGOGWQRKHBYII-MRXNPFEDSA-N -1 3 332.400 2.567 10 30 EFEEHM CS(=O)(=O)[C@@H]1CCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863129488 1302539094 /nfs/dbraw/zinc/53/90/94/1302539094.db2.gz VLQCBZXLQRGEJJ-GFCCVEGCSA-N -1 3 336.442 2.657 10 30 EFEEHM COC(=O)[C@]12C[C@H]1C[C@H](/N=C\c1cc(Br)ccc1[O-])C2 ZINC000864347149 1302894106 /nfs/dbraw/zinc/89/41/06/1302894106.db2.gz LFELBBUTXVJVLE-DTWBESLWSA-N -1 3 338.201 2.915 10 30 EFEEHM COc1ccc([C@H](C)/N=C/c2c([O-])c(C)ncc2CO)c(OC)c1 ZINC000864346108 1302894293 /nfs/dbraw/zinc/89/42/93/1302894293.db2.gz NRFIQGIMWMBKLL-QQZXWGPFSA-N -1 3 330.384 2.785 10 30 EFEEHM COC(=O)[C@H](C[C@H]1CCCOC1)/N=C\c1cc(Cl)ccc1[O-] ZINC000864346051 1302894344 /nfs/dbraw/zinc/89/43/44/1302894344.db2.gz MVCWXWDAXWOBPF-KPNYTRPLSA-N -1 3 325.792 2.823 10 30 EFEEHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1C1CCC1 ZINC000864347751 1302895405 /nfs/dbraw/zinc/89/54/05/1302895405.db2.gz XGHZEYNZVQLDLM-YRUBURHZSA-N -1 3 337.217 2.727 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000794734726 1303042751 /nfs/dbraw/zinc/04/27/51/1303042751.db2.gz CCHOQFRGFMRJOK-BAACNHRGSA-N -1 3 330.387 2.522 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000867536456 1303850232 /nfs/dbraw/zinc/85/02/32/1303850232.db2.gz SNXRUHCBPMDZOA-FQEVSTJZSA-N -1 3 330.475 2.723 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000867552124 1303855823 /nfs/dbraw/zinc/85/58/23/1303855823.db2.gz DUFSXUMRSNKFHE-HXUWFJFHSA-N -1 3 330.475 2.580 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C\c1cccc(Cl)c1)C(=O)OC ZINC000867624829 1303881978 /nfs/dbraw/zinc/88/19/78/1303881978.db2.gz RYMVTPKXKQELBT-WBTMPAOCSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1Cl)C(=O)OC ZINC000867624590 1303882267 /nfs/dbraw/zinc/88/22/67/1303882267.db2.gz QARLJAOFAPPUNN-MYSGNRETSA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1cccc(Cl)c1)C(=O)OC ZINC000867624827 1303882297 /nfs/dbraw/zinc/88/22/97/1303882297.db2.gz RYMVTPKXKQELBT-HSBSLETESA-N -1 3 343.832 2.738 10 30 EFEEHM C=C(Cl)C[C@H]([N-]C(=O)C(F)(F)c1ncccc1C)C(=O)OCC ZINC000870032510 1305095897 /nfs/dbraw/zinc/09/58/97/1305095897.db2.gz HUUGWYLMJSBORR-NSHDSACASA-N -1 3 346.761 2.672 10 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/nfs/dbraw/zinc/02/80/16/1311028016.db2.gz VHWFCJNNDICQAQ-JTQLQIEISA-N -1 3 326.727 2.771 10 30 EFEEHM Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F ZINC000901775421 1311028217 /nfs/dbraw/zinc/02/82/17/1311028217.db2.gz VHWFCJNNDICQAQ-SNVBAGLBSA-N -1 3 326.727 2.771 10 30 EFEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)C[C@@H](OCC)C3CC3)cc21 ZINC000901953324 1311233616 /nfs/dbraw/zinc/23/36/16/1311233616.db2.gz AVVLAUIBYLNPIM-QGZVFWFLSA-N -1 3 349.456 2.779 10 30 EFEEHM C=C(C)[C@@H](CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1)OCC ZINC001158784512 1311388184 /nfs/dbraw/zinc/38/81/84/1311388184.db2.gz SCINTPHKZVHJKG-RBSFLKMASA-N -1 3 333.432 2.696 10 30 EFEEHM CCCCN([O-])C(=O)c1nnn(-c2cccc3ncccc32)c1C ZINC001161831790 1311984074 /nfs/dbraw/zinc/98/40/74/1311984074.db2.gz DMMUVYHNMTWECX-UHFFFAOYSA-N -1 3 325.372 2.755 10 30 EFEEHM C[C@@H](NCc1cn(C)nc1Br)c1cccc(C#N)c1[O-] ZINC000903188643 1312443743 /nfs/dbraw/zinc/44/37/43/1312443743.db2.gz URAKNNLPPRVGFH-SECBINFHSA-N -1 3 335.205 2.611 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001262990576 1316513893 /nfs/dbraw/zinc/51/38/93/1316513893.db2.gz HPUNYHZBQRNRQA-NSHDSACASA-N -1 3 333.827 2.529 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C2CCC2)C1 ZINC001262990576 1316513895 /nfs/dbraw/zinc/51/38/95/1316513895.db2.gz HPUNYHZBQRNRQA-NSHDSACASA-N -1 3 333.827 2.529 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)nn1 ZINC001265218046 1316755705 /nfs/dbraw/zinc/75/57/05/1316755705.db2.gz RPMIBXAAJPFHFV-UHFFFAOYSA-N -1 3 344.375 2.764 10 30 EFEEHM C[C@@H]1[C@H](NC(=O)C#CC(C)(C)C)CCCN1C(=O)c1ccccc1[O-] ZINC001281207618 1318102450 /nfs/dbraw/zinc/10/24/50/1318102450.db2.gz FMTYLIFHUZYCRI-GDBMZVCRSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CC(C)(C)CC(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001281339594 1318197759 /nfs/dbraw/zinc/19/77/59/1318197759.db2.gz XKUQIUDUPUXQTM-UHFFFAOYSA-N -1 3 330.428 2.714 10 30 EFEEHM C#CCCCC(=O)N[C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001282313829 1318840188 /nfs/dbraw/zinc/84/01/88/1318840188.db2.gz VDECJXUWXHJTRU-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1[O-])C2 ZINC001282601897 1319022945 /nfs/dbraw/zinc/02/29/45/1319022945.db2.gz DUVZHSUJUOHYQS-KBMXLJTQSA-N -1 3 342.439 2.856 10 30 EFEEHM C#CCCCC(=O)N(C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001283970046 1320121374 /nfs/dbraw/zinc/12/13/74/1320121374.db2.gz QGOCVBRIFCNDPF-MRXNPFEDSA-N -1 3 342.439 2.506 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001284139070 1320229364 /nfs/dbraw/zinc/22/93/64/1320229364.db2.gz NYJXTGWPRAJCTJ-HOTGVXAUSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001284804386 1320538139 /nfs/dbraw/zinc/53/81/39/1320538139.db2.gz XAVGPQLVPARUAT-KRWDZBQOSA-N -1 3 338.407 2.946 10 30 EFEEHM C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284827023 1320552986 /nfs/dbraw/zinc/55/29/86/1320552986.db2.gz XUQQKADULZUXKJ-HZPDHXFCSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001285165924 1320739651 /nfs/dbraw/zinc/73/96/51/1320739651.db2.gz FICAOYGANYUQAI-SHTZXODSSA-N -1 3 330.428 2.906 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001285394785 1320884723 /nfs/dbraw/zinc/88/47/23/1320884723.db2.gz ADIOHXOFVCTXSW-ZBFHGGJFSA-N -1 3 330.428 2.763 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001285413987 1320900342 /nfs/dbraw/zinc/90/03/42/1320900342.db2.gz ZBUYTODMQPVPQE-DOTOQJQBSA-N -1 3 342.439 2.601 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286112017 1321242773 /nfs/dbraw/zinc/24/27/73/1321242773.db2.gz GNXHUUBPQFJEOP-VQTJNVASSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001286159132 1321276213 /nfs/dbraw/zinc/27/62/13/1321276213.db2.gz XDNYQIVOQFULRB-FQEVSTJZSA-N -1 3 342.439 2.554 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001286321109 1321337615 /nfs/dbraw/zinc/33/76/15/1321337615.db2.gz KUHJIAVADNAPBD-CVEARBPZSA-N -1 3 342.439 2.743 10 30 EFEEHM C=CCCC1(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC001287857466 1321529556 /nfs/dbraw/zinc/52/95/56/1321529556.db2.gz VBGIHUBMPFSVHP-GOEBONIOSA-N -1 3 342.439 2.858 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001287994285 1321574864 /nfs/dbraw/zinc/57/48/64/1321574864.db2.gz HXRDIBWJQBDGBM-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001288508004 1321696284 /nfs/dbraw/zinc/69/62/84/1321696284.db2.gz MKESZIMKRICWAF-LSDHHAIUSA-N -1 3 330.428 2.599 10 30 EFEEHM CC#CCCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001288508002 1321696420 /nfs/dbraw/zinc/69/64/20/1321696420.db2.gz MKESZIMKRICWAF-GJZGRUSLSA-N -1 3 330.428 2.599 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001290091042 1321877228 /nfs/dbraw/zinc/87/72/28/1321877228.db2.gz NUPVEECSVSRCFK-LSDHHAIUSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCn1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1 ZINC001295978557 1322834394 /nfs/dbraw/zinc/83/43/94/1322834394.db2.gz HXTGKZOIZHSBKV-UHFFFAOYSA-N -1 3 337.177 2.575 10 30 EFEEHM COc1ccc2nc([C@@H](C)NC(=O)c3ccc(C#N)c([O-])c3)[nH]c2c1 ZINC001296768108 1323010115 /nfs/dbraw/zinc/01/01/15/1323010115.db2.gz NGECQWXDDRKLOU-SNVBAGLBSA-N -1 3 336.351 2.640 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001296878911 1323044366 /nfs/dbraw/zinc/04/43/66/1323044366.db2.gz WKNJVHLBHHFEHK-UHFFFAOYSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCN(C)CCN(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001297372910 1323192270 /nfs/dbraw/zinc/19/22/70/1323192270.db2.gz IQKQLLXALOVUIK-UHFFFAOYSA-N -1 3 341.795 2.534 10 30 EFEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OCc1ccccn1 ZINC001299115370 1323697269 /nfs/dbraw/zinc/69/72/69/1323697269.db2.gz GTRIKXBTHBJERG-UHFFFAOYSA-N -1 3 346.184 2.506 10 30 EFEEHM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001299813192 1323709097 /nfs/dbraw/zinc/70/90/97/1323709097.db2.gz MBQPEIVUQNSPQF-UHFFFAOYSA-N -1 3 344.371 2.577 10 30 EFEEHM C=CCOc1cccnc1C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001299813192 1323709101 /nfs/dbraw/zinc/70/91/01/1323709101.db2.gz MBQPEIVUQNSPQF-UHFFFAOYSA-N -1 3 344.371 2.577 10 30 EFEEHM C#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)c1ccccc1 ZINC001299869088 1323710534 /nfs/dbraw/zinc/71/05/34/1323710534.db2.gz FQNUDYFMTBJJNG-INIZCTEOSA-N -1 3 329.302 2.961 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491921512 1324035309 /nfs/dbraw/zinc/03/53/09/1324035309.db2.gz YYZOQDAYKNSPEW-IFXJQAMLSA-N -1 3 330.428 2.667 10 30 EFEEHM CN(CC#Cc1ccc(Cl)cc1)CCNC(=O)c1ccccc1[O-] ZINC001492194256 1324342741 /nfs/dbraw/zinc/34/27/41/1324342741.db2.gz NBDGZACOLWHKET-UHFFFAOYSA-N -1 3 342.826 2.759 10 30 EFEEHM O=C(c1n[nH]cc1Br)N([O-])Cc1ccccc1Cl ZINC001306894785 1324729935 /nfs/dbraw/zinc/72/99/35/1324729935.db2.gz QPRUQJOURUCNRG-UHFFFAOYSA-N -1 3 330.569 2.857 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H]1CCO[C@H]1CNC(=O)OC(C)(C)C ZINC001306896706 1324730110 /nfs/dbraw/zinc/73/01/10/1324730110.db2.gz JPSDHHLXIXUTNJ-KGLIPLIRSA-N -1 3 344.452 2.714 10 30 EFEEHM O=C(C[C@H]1NC(=O)c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001306895019 1324730212 /nfs/dbraw/zinc/73/02/12/1324730212.db2.gz UVCSAGJEKPVJQH-OAHLLOKOSA-N -1 3 330.771 2.933 10 30 EFEEHM CC(C)(C)OC(=O)N1CC(C)(C(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC001306898740 1324730236 /nfs/dbraw/zinc/73/02/36/1324730236.db2.gz OTWYTJUXLUDCJB-UHFFFAOYSA-N -1 3 338.379 2.801 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001309836933 1324888502 /nfs/dbraw/zinc/88/85/02/1324888502.db2.gz OXGPJVHELVZUJK-UHFFFAOYSA-N -1 3 330.431 2.989 10 30 EFEEHM C=C(Cl)CNCCc1ccc(CNC(=O)c2ncccc2[O-])cc1 ZINC001317368270 1327908951 /nfs/dbraw/zinc/90/89/51/1327908951.db2.gz AUEPPELISUWOHN-UHFFFAOYSA-N -1 3 345.830 2.602 10 30 EFEEHM Cc1nc[n-]c(=O)c1CCC(=O)OCC#Cc1ccccc1Cl ZINC001328750483 1330625722 /nfs/dbraw/zinc/62/57/22/1330625722.db2.gz DUEHGSWSNLOXBX-UHFFFAOYSA-N -1 3 330.771 2.672 10 30 EFEEHM C=C(C)[C@H](CC(=O)OCc1nnc(-c2ccccc2[O-])o1)OCC ZINC001331113540 1330795967 /nfs/dbraw/zinc/79/59/67/1330795967.db2.gz DJGXDWGOJLVUQD-AWEZNQCLSA-N -1 3 332.356 2.857 10 30 EFEEHM C=CCO[C@H]1CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC001331707482 1330868266 /nfs/dbraw/zinc/86/82/66/1330868266.db2.gz AJQJXRORPVNSMK-ZDUSSCGKSA-N -1 3 326.190 2.572 10 30 EFEEHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)N1CC#N ZINC001332718811 1331008655 /nfs/dbraw/zinc/00/86/55/1331008655.db2.gz VECJOGOPTIKOCH-TXEJJXNPSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CCCC(=O)N1C[C@]2(C)CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001335570110 1331374688 /nfs/dbraw/zinc/37/46/88/1331374688.db2.gz BLXWRDGFFHXRDE-BGYRXZFFSA-N -1 3 342.439 2.669 10 30 EFEEHM CC#CCCCC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001338327281 1331692597 /nfs/dbraw/zinc/69/25/97/1331692597.db2.gz XSDANIAYJBMBEJ-HZPDHXFCSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC(C2CCC2)CC1 ZINC001339015099 1331770063 /nfs/dbraw/zinc/77/00/63/1331770063.db2.gz RPHYVVUGXBIEFS-UHFFFAOYSA-N -1 3 329.404 2.841 10 30 EFEEHM C#CCCCC(=O)N1CCC([C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001339024798 1331771918 /nfs/dbraw/zinc/77/19/18/1331771918.db2.gz FTEAQNUSDUDBBE-OAHLLOKOSA-N -1 3 342.439 2.553 10 30 EFEEHM C#C[C@@H]1CCCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)C1 ZINC001339380767 1331853527 /nfs/dbraw/zinc/85/35/27/1331853527.db2.gz GMSHFXDXIYDGFI-LLVKDONJSA-N -1 3 339.424 2.647 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001339705930 1331937433 /nfs/dbraw/zinc/93/74/33/1331937433.db2.gz XTPQTKVYOFCJIP-GJZGRUSLSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC2(CC2)CC1 ZINC001339880164 1332107887 /nfs/dbraw/zinc/10/78/87/1332107887.db2.gz MAIAUKAUKKXRHA-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC2(CC2)CC1 ZINC001339880164 1332107889 /nfs/dbraw/zinc/10/78/89/1332107889.db2.gz MAIAUKAUKKXRHA-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@](C)(C(F)(F)F)C1 ZINC001340380132 1332184341 /nfs/dbraw/zinc/18/43/41/1332184341.db2.gz NIOWUPSLSHHWTC-CYBMUJFWSA-N -1 3 343.309 2.603 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001340381068 1332184845 /nfs/dbraw/zinc/18/48/45/1332184845.db2.gz ZTNJXBZLOAKXCW-IFXJQAMLSA-N -1 3 349.394 2.603 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001340840207 1332211731 /nfs/dbraw/zinc/21/17/31/1332211731.db2.gz QXERDWSTYWVLSM-CVEARBPZSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCCCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001340840210 1332211921 /nfs/dbraw/zinc/21/19/21/1332211921.db2.gz QXERDWSTYWVLSM-JKSUJKDBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC(C)=C(C)C1 ZINC001341756430 1332282504 /nfs/dbraw/zinc/28/25/04/1332282504.db2.gz URSQNTMQVMAESX-UHFFFAOYSA-N -1 3 333.827 2.839 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC(C)=C(C)C1 ZINC001341756430 1332282507 /nfs/dbraw/zinc/28/25/07/1332282507.db2.gz URSQNTMQVMAESX-UHFFFAOYSA-N -1 3 333.827 2.839 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001347549059 1332754689 /nfs/dbraw/zinc/75/46/89/1332754689.db2.gz OKAIITHWBDSVFZ-BMFZPTHFSA-N -1 3 342.439 2.856 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC001353006158 1333862364 /nfs/dbraw/zinc/86/23/64/1333862364.db2.gz FLBDKZQLYHTDHJ-KRWDZBQOSA-N -1 3 342.439 2.859 10 30 EFEEHM CC(C)(c1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1)C(F)(F)F ZINC000848133580 1334346222 /nfs/dbraw/zinc/34/62/22/1334346222.db2.gz BPWQOVDQMXADJN-LBPRGKRZSA-N -1 3 344.333 2.637 10 30 EFEEHM CCCCCn1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000848135668 1334347811 /nfs/dbraw/zinc/34/78/11/1334347811.db2.gz OSPKQVJLXFMGTC-MRXNPFEDSA-N -1 3 343.427 2.942 10 30 EFEEHM CC(C)(C)c1ccc(CCCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000848138946 1334350406 /nfs/dbraw/zinc/35/04/06/1334350406.db2.gz QLYXRFGKTLTUFQ-INIZCTEOSA-N -1 3 332.444 2.803 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000848474904 1334734928 /nfs/dbraw/zinc/73/49/28/1334734928.db2.gz HWTWJAYFZCLYAK-UHFFFAOYSA-N -1 3 346.836 2.546 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC001355981582 1334923721 /nfs/dbraw/zinc/92/37/21/1334923721.db2.gz PTWCMBZPFCUSDX-LYKUJDHUSA-N -1 3 340.431 2.809 10 30 EFEEHM C=CCC(CC=C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001358647936 1335428723 /nfs/dbraw/zinc/42/87/23/1335428723.db2.gz BSCPUWDNKPEDFY-UHFFFAOYSA-N -1 3 328.412 2.539 10 30 EFEEHM CO[C@H](C/N=C\c1cc(Br)ccc1[O-])[C@H]1CCOC1 ZINC000849169598 1335563224 /nfs/dbraw/zinc/56/32/24/1335563224.db2.gz DXGQGTSLPIKQQH-RBNUIKKBSA-N -1 3 328.206 2.625 10 30 EFEEHM Cc1ncc(CO)c(/C=N/C[C@@H]2C[C@H](c3ccccc3)CO2)c1[O-] ZINC000849171776 1335563577 /nfs/dbraw/zinc/56/35/77/1335563577.db2.gz FUCREIRQVHCVEE-DXTMGYRDSA-N -1 3 326.396 2.580 10 30 EFEEHM Cn1ccnc1[C@@H]([N-]C(=O)c1c(F)cc(C#N)cc1F)C(F)(F)F ZINC001362003886 1336459384 /nfs/dbraw/zinc/45/93/84/1336459384.db2.gz QSUUXBMBFWXAFS-LLVKDONJSA-N -1 3 344.243 2.603 10 30 EFEEHM N#Cc1cc(Br)ccc1CC(=O)Nc1ncccc1[O-] ZINC001362545212 1336652239 /nfs/dbraw/zinc/65/22/39/1336652239.db2.gz NBKSOTRSUMXNEB-UHFFFAOYSA-N -1 3 332.157 2.603 10 30 EFEEHM CSc1ccc([O-])c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 ZINC001362716982 1336714612 /nfs/dbraw/zinc/71/46/12/1336714612.db2.gz QLWLYHBUXUIXPA-UHFFFAOYSA-N -1 3 339.420 2.922 10 30 EFEEHM CC[C@@H](C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001362937610 1336759259 /nfs/dbraw/zinc/75/92/59/1336759259.db2.gz QUVKYLQTEFSZHQ-RISCZKNCSA-N -1 3 338.354 2.744 10 30 EFEEHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C#N)c(F)cc1C ZINC001363557484 1336930363 /nfs/dbraw/zinc/93/03/63/1336930363.db2.gz HXRQJILBYXICKV-UHFFFAOYSA-N -1 3 332.360 2.784 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)[n-]n1 ZINC001363674588 1336987288 /nfs/dbraw/zinc/98/72/88/1336987288.db2.gz NIODCNBXQVJAJI-UONOGXRCSA-N -1 3 338.367 2.589 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)n[n-]1 ZINC001363674588 1336987291 /nfs/dbraw/zinc/98/72/91/1336987291.db2.gz NIODCNBXQVJAJI-UONOGXRCSA-N -1 3 338.367 2.589 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCC[C@@H](C3CCC3)CC1)cc2=O ZINC001363825769 1337069218 /nfs/dbraw/zinc/06/92/18/1337069218.db2.gz OSGGBUWCLNLTIN-CQSZACIVSA-N -1 3 325.416 2.709 10 30 EFEEHM C#CCOc1cccc(NC(=O)c2c[n-]c3cc(OC)ccc3c2=O)c1 ZINC001457641889 1395259369 /nfs/dbraw/zinc/25/93/69/1395259369.db2.gz GMAGKNVCRKEOKB-UHFFFAOYSA-N -1 3 348.358 2.801 10 30 EFEEHM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N([O-])Cc1ccc(F)cc1 ZINC001458017060 1395396354 /nfs/dbraw/zinc/39/63/54/1395396354.db2.gz PHTSSHRUDDWNFB-UHFFFAOYSA-N -1 3 335.247 2.674 10 30 EFEEHM O=C(c1cc(Br)c[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001458025384 1395397394 /nfs/dbraw/zinc/39/73/94/1395397394.db2.gz ISRAFLURVVHDLF-UHFFFAOYSA-N -1 3 341.136 2.720 10 30 EFEEHM C=CCOCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001459178977 1395747515 /nfs/dbraw/zinc/74/75/15/1395747515.db2.gz HSJLIOCLRJBMAR-UHFFFAOYSA-N -1 3 342.424 2.875 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001464772195 1396603465 /nfs/dbraw/zinc/60/34/65/1396603465.db2.gz ZYIJESQUQJHUPA-UHFFFAOYSA-N -1 3 327.299 2.967 10 30 EFEEHM C#C[C@@H](CCC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001467757616 1396893953 /nfs/dbraw/zinc/89/39/53/1396893953.db2.gz WDNVCJASTHGXTD-NSHDSACASA-N -1 3 347.212 2.822 10 30 EFEEHM COc1cc(CNC(=O)c2cc(SC)ccc2[O-])ccc1C#N ZINC001467816371 1396900999 /nfs/dbraw/zinc/90/09/99/1396900999.db2.gz MDVZTAYNWIGRAD-UHFFFAOYSA-N -1 3 328.393 2.924 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)/C=C\c1ccc(I)o1 ZINC001469732981 1397051771 /nfs/dbraw/zinc/05/17/71/1397051771.db2.gz MTOVYRBMFOTGNO-TVSKSKRASA-N -1 3 333.125 2.520 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001475561640 1397436495 /nfs/dbraw/zinc/43/64/95/1397436495.db2.gz PGWJKNHOBLGYKV-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC001475645978 1397444383 /nfs/dbraw/zinc/44/43/83/1397444383.db2.gz GVJBSAGEYLKMNR-OAQYLSRUSA-N -1 3 344.502 2.970 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OC ZINC001475688866 1397448766 /nfs/dbraw/zinc/44/87/66/1397448766.db2.gz OTLWJLXDZIIUGH-CQSZACIVSA-N -1 3 331.478 2.774 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001495751099 1400229092 /nfs/dbraw/zinc/22/90/92/1400229092.db2.gz LWECEECJNPMSBY-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001499934201 1402861006 /nfs/dbraw/zinc/86/10/06/1402861006.db2.gz DLZBVXPGRSLVKI-MRXNPFEDSA-N -1 3 342.439 2.881 10 30 EFEEHM C=CCCC1(C(=O)NC2(CNC(=O)c3ccccc3[O-])CC2)CC1 ZINC001505951992 1405267094 /nfs/dbraw/zinc/26/70/94/1405267094.db2.gz MGALNIYIQSISQG-UHFFFAOYSA-N -1 3 328.412 2.517 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511217139 1412921186 /nfs/dbraw/zinc/92/11/86/1412921186.db2.gz YXKJRJWLLHXQSU-HOTGVXAUSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001512189033 1413319406 /nfs/dbraw/zinc/31/94/06/1413319406.db2.gz NEZRRUOBGWJHLW-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001556976745 1415099250 /nfs/dbraw/zinc/09/92/50/1415099250.db2.gz KXSGAOQXKJKTHM-AWEZNQCLSA-N -1 3 348.382 2.916 10 30 EFEEHM CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001556976745 1415099253 /nfs/dbraw/zinc/09/92/53/1415099253.db2.gz KXSGAOQXKJKTHM-AWEZNQCLSA-N -1 3 348.382 2.916 10 30 EFEEHM O=C([C@H]1COCCN1C1CCCC1)N([O-])CCCCc1ccccc1 ZINC001559034035 1415219441 /nfs/dbraw/zinc/21/94/41/1415219441.db2.gz KBLNPWWOJWLMCQ-LJQANCHMSA-N -1 3 346.471 2.871 10 30 EFEEHM CO[C@@H](C(=O)OC(C)(C)C)C(=O)N([O-])CCCCc1ccccc1 ZINC001559033851 1415220054 /nfs/dbraw/zinc/22/00/54/1415220054.db2.gz BLDGQRDKNTVIQM-OAHLLOKOSA-N -1 3 337.416 2.584 10 30 EFEEHM CCCCCCN([O-])C(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001559034861 1415220066 /nfs/dbraw/zinc/22/00/66/1415220066.db2.gz SAVXBSLPSOIIPG-UHFFFAOYSA-N -1 3 340.807 2.864 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cscc1Br)C(C)(C)C ZINC001561617634 1415320382 /nfs/dbraw/zinc/32/03/82/1415320382.db2.gz QLBHNVUZTODWFN-JTQLQIEISA-N -1 3 336.276 2.837 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1ccccc1 ZINC001561689215 1415321653 /nfs/dbraw/zinc/32/16/53/1415321653.db2.gz HXRMNHAOVFOGSV-CQSZACIVSA-N -1 3 325.311 2.757 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC001561688842 1415322073 /nfs/dbraw/zinc/32/20/73/1415322073.db2.gz VZLPGQQZCRAWED-LBPRGKRZSA-N -1 3 325.311 2.757 10 30 EFEEHM N#CCNCC1(c2ccccc2)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001717315601 1419326194 /nfs/dbraw/zinc/32/61/94/1419326194.db2.gz UCCYAOFVXCRFAP-UHFFFAOYSA-N -1 3 349.434 2.679 10 30 EFEEHM CC(C)[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001718484676 1422312732 /nfs/dbraw/zinc/31/27/32/1422312732.db2.gz HZTMVHWTKOVWAR-MRXNPFEDSA-N -1 3 344.455 2.702 10 30 EFEEHM CC#CCCCC(=O)NC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC001718958754 1422578647 /nfs/dbraw/zinc/57/86/47/1422578647.db2.gz UWWYXEKZRQSSJN-OAHLLOKOSA-N -1 3 330.428 2.553 10 30 EFEEHM C=C(C)CCC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001719035414 1422647261 /nfs/dbraw/zinc/64/72/61/1422647261.db2.gz FEUFPLBUOLLHPR-HOTGVXAUSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCCC1(C(=O)N2CC[C@H]2CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001719372849 1422686933 /nfs/dbraw/zinc/68/69/33/1422686933.db2.gz LBMSCJHVPZSCTO-HNNXBMFYSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720945761 1423319511 /nfs/dbraw/zinc/31/95/11/1423319511.db2.gz DAXFLPPIUYHLTL-HUUCEWRRSA-N -1 3 330.428 2.573 10 30 EFEEHM C=CCC1(C(=O)NCCN(CC)C(=O)c2ccccc2[O-])CCC1 ZINC001721170552 1423506706 /nfs/dbraw/zinc/50/67/06/1423506706.db2.gz LIWSXOFZJQNVTF-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM C=CCCC1(C(=O)N2CCC[C@H]2CNC(=O)c2ccccc2[O-])CC1 ZINC001721177495 1423512089 /nfs/dbraw/zinc/51/20/89/1423512089.db2.gz YYASYFDPYURCAC-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCC1(C(=O)N(CCNC(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001721223475 1423551961 /nfs/dbraw/zinc/55/19/61/1423551961.db2.gz LYWMHCMWRTUMNA-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM C[C@@H](CNC(=O)c1ccccc1[O-])N(C)CC#Cc1ccc(F)cc1 ZINC001725152629 1425337009 /nfs/dbraw/zinc/33/70/09/1425337009.db2.gz CXIVTSAMBDVJSA-HNNXBMFYSA-N -1 3 340.398 2.633 10 30 EFEEHM CC(C)C#CC(=O)N[C@@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001726046265 1426041012 /nfs/dbraw/zinc/04/10/12/1426041012.db2.gz XGANSKCHAPHBPT-KRWDZBQOSA-N -1 3 344.455 2.655 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001726208634 1426160432 /nfs/dbraw/zinc/16/04/32/1426160432.db2.gz BSVKBNNTTHZDFL-NJSLBKSFSA-N -1 3 330.428 2.619 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000183651409 1426341575 /nfs/dbraw/zinc/34/15/75/1426341575.db2.gz LEQZZFOZVUOTTI-MRVPVSSYSA-N -1 3 327.818 2.708 10 30 EFEEHM N#CC(=C([O-])C=Cc1ccnc(Cl)c1)c1nnc2n1CCCCC2 ZINC000255057711 713442756 /nfs/dbraw/zinc/44/27/56/713442756.db2.gz WNPLPTNWAFPUKB-CFHLNLSMSA-N -1 3 341.802 2.943 10 30 EFEEHM CC(NN=c1[n-]c(Br)cn2ccnc12)=C1CC1(F)F ZINC000841629502 716009450 /nfs/dbraw/zinc/00/94/50/716009450.db2.gz PCFRCFZPADYGPC-SSDOTTSWSA-N -1 3 330.136 2.935 10 30 EFEEHM C#CCC1([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CCOCC1 ZINC000895236789 723910989 /nfs/dbraw/zinc/91/09/89/723910989.db2.gz PKNGROOUPKXZSF-UHFFFAOYSA-N -1 3 329.293 2.745 10 30 EFEEHM CCCCCCCS(=O)(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000918840312 728930549 /nfs/dbraw/zinc/93/05/49/728930549.db2.gz ZTLGSLQMKVMCIH-UHFFFAOYSA-N -1 3 341.477 2.840 10 30 EFEEHM N#C[C@@]1(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)CC2CCC1CC2 ZINC000913695756 725822839 /nfs/dbraw/zinc/82/28/39/725822839.db2.gz PZNGVWJTVRNBKP-JSORRYRYSA-N -1 3 340.427 2.786 10 30 EFEEHM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751455 727256689 /nfs/dbraw/zinc/25/66/89/727256689.db2.gz MCSHUGVAQUZRCG-DLBZAZTESA-N -1 3 345.443 2.542 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)c1cccc(CN2CCCC2)c1)C(=O)[O-] ZINC000910267065 727425119 /nfs/dbraw/zinc/42/51/19/727425119.db2.gz QZMRWUPOAARJNM-HNNXBMFYSA-N -1 3 336.819 2.608 10 30 EFEEHM N#Cc1ccc(C2CCN(C(=O)Cc3ccc([O-])c(F)c3)CC2)nc1 ZINC000912926219 727761863 /nfs/dbraw/zinc/76/18/63/727761863.db2.gz CJJLBLZULBVREN-UHFFFAOYSA-N -1 3 339.370 2.747 10 30 EFEEHM O=C(CN1C(=O)CSc2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC000901375107 729170466 /nfs/dbraw/zinc/17/04/66/729170466.db2.gz CHWKRLQPOPOWIX-UHFFFAOYSA-N -1 3 346.383 2.682 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1(c2ncccn2)CCC1 ZINC000920745126 729222756 /nfs/dbraw/zinc/22/27/56/729222756.db2.gz MCWIAEAGCFAAIQ-UHFFFAOYSA-N -1 3 328.322 2.636 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001572030270 1087266762 /nfs/dbraw/zinc/26/67/62/1087266762.db2.gz GLWHPHPKTXFZJT-LSDHHAIUSA-N -1 3 330.428 2.906 10 30 EFEEHM C=CCCCC(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001572208482 1087393101 /nfs/dbraw/zinc/39/31/01/1087393101.db2.gz HBXFJZZJOASRAV-INIZCTEOSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001572407619 1087459515 /nfs/dbraw/zinc/45/95/15/1087459515.db2.gz ZOFFDLWUKYXBRN-HZPDHXFCSA-N -1 3 342.439 2.695 10 30 EFEEHM C#CCCCCC(=O)N(CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001572667067 1087588377 /nfs/dbraw/zinc/58/83/77/1087588377.db2.gz XZFQURPZAUOQBT-OAHLLOKOSA-N -1 3 330.428 2.553 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001573043136 1087666579 /nfs/dbraw/zinc/66/65/79/1087666579.db2.gz SAKMHAMPYUZBJM-ZMSDIMECSA-N -1 3 342.439 2.667 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001573134021 1087691554 /nfs/dbraw/zinc/69/15/54/1087691554.db2.gz WXDHRSYTEWUCCY-IYBDPMFKSA-N -1 3 342.439 2.601 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1CC ZINC001573292477 1087740618 /nfs/dbraw/zinc/74/06/18/1087740618.db2.gz VWNLJGOMKIYJIZ-DLBZAZTESA-N -1 3 342.439 2.695 10 30 EFEEHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H](CC#N)C2CC2)c(Cl)c1 ZINC001646915535 1088559642 /nfs/dbraw/zinc/55/96/42/1088559642.db2.gz SOLSTLXSWVOEJP-CYBMUJFWSA-N -1 3 342.804 2.561 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H](CC)NC(=O)c2ccccc2[O-])CCC1 ZINC001582553401 1091541869 /nfs/dbraw/zinc/54/18/69/1091541869.db2.gz MCDROJQYAKZPKR-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001582741992 1091651892 /nfs/dbraw/zinc/65/18/92/1091651892.db2.gz LDHZWTLUCAJRGB-LSDHHAIUSA-N -1 3 330.428 2.715 10 30 EFEEHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccncc3)s2)nc1Cl ZINC001583128514 1091905738 /nfs/dbraw/zinc/90/57/38/1091905738.db2.gz JUDHNGVGNXFGFF-UHFFFAOYSA-N -1 3 342.771 2.772 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)nn1 ZINC001648522494 1092228598 /nfs/dbraw/zinc/22/85/98/1092228598.db2.gz LIDCTZPWFIYLLV-UHFFFAOYSA-N -1 3 346.441 2.995 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC001648726273 1092259249 /nfs/dbraw/zinc/25/92/49/1092259249.db2.gz IITNECUFFPFSDM-UHFFFAOYSA-N -1 3 340.364 2.713 10 30 EFEEHM C#CCSCC(=O)Nc1n[n-]c(SCc2ccc(C)cc2)n1 ZINC001648742541 1092263981 /nfs/dbraw/zinc/26/39/81/1092263981.db2.gz CIONAOGXLWNGTH-UHFFFAOYSA-N -1 3 332.454 2.710 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001585796200 1092576301 /nfs/dbraw/zinc/57/63/01/1092576301.db2.gz MNWMUMGRQJWWKY-IFXJQAMLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001586112163 1092684506 /nfs/dbraw/zinc/68/45/06/1092684506.db2.gz FQDSCSZFLWFDCN-UHFFFAOYSA-N -1 3 344.455 2.963 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001649873122 1092752687 /nfs/dbraw/zinc/75/26/87/1092752687.db2.gz ISTGZIAZHXLOQP-UTUOFQBUSA-N -1 3 346.786 2.924 10 30 EFEEHM COc1cccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1[O-] ZINC001587770489 1092852450 /nfs/dbraw/zinc/85/24/50/1092852450.db2.gz UGHSVCMVUBKRIM-UHFFFAOYSA-N -1 3 348.362 2.770 10 30 EFEEHM CCCCN([O-])C(=O)Cc1cccc(I)c1 ZINC001651229168 1093542758 /nfs/dbraw/zinc/54/27/58/1093542758.db2.gz FUCXVFGMHLCQOD-UHFFFAOYSA-N -1 3 333.169 2.852 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001625916250 1095256082 /nfs/dbraw/zinc/25/60/82/1095256082.db2.gz JSXSUNAQUGVXSX-OAHLLOKOSA-N -1 3 344.419 2.700 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001625916250 1095256094 /nfs/dbraw/zinc/25/60/94/1095256094.db2.gz JSXSUNAQUGVXSX-OAHLLOKOSA-N -1 3 344.419 2.700 10 30 EFEEHM CC(C)(C#N)CCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000782792959 1095978423 /nfs/dbraw/zinc/97/84/23/1095978423.db2.gz PELYVSQASBTBGE-OAHLLOKOSA-N -1 3 344.411 2.870 10 30 EFEEHM CC(C)(C#N)CCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000782792958 1095979230 /nfs/dbraw/zinc/97/92/30/1095979230.db2.gz PELYVSQASBTBGE-HNNXBMFYSA-N -1 3 344.411 2.870 10 30 EFEEHM N#Cc1ccc(CC(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC001610906235 1098961045 /nfs/dbraw/zinc/96/10/45/1098961045.db2.gz SZVATPYICTUYRB-UHFFFAOYSA-N -1 3 332.157 2.603 10 30 EFEEHM Cc1nn(CC(=O)N([O-])Cc2ccccc2Cl)c2ncccc12 ZINC001611650848 1099025556 /nfs/dbraw/zinc/02/55/56/1099025556.db2.gz MRDBGSFLGWOAFA-UHFFFAOYSA-N -1 3 330.775 2.811 10 30 EFEEHM N#Cc1cnccc1[N-]C(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001125956601 1099135416 /nfs/dbraw/zinc/13/54/16/1099135416.db2.gz XXNPYEDLCRKZTP-UHFFFAOYSA-N -1 3 345.318 2.598 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3csc(C#N)c3)nc21 ZINC001616996200 1099206971 /nfs/dbraw/zinc/20/69/71/1099206971.db2.gz UCBQMJGQMLWRRF-UHFFFAOYSA-N -1 3 340.364 2.925 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F ZINC001622657976 1099533157 /nfs/dbraw/zinc/53/31/57/1099533157.db2.gz MZFWYFUZEPELNK-UHFFFAOYSA-N -1 3 327.299 2.967 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)c2c(C)nn3cccnc23)CCCCC1 ZINC001211861563 1099791949 /nfs/dbraw/zinc/79/19/49/1099791949.db2.gz RLMUHPCLMNSKJW-UHFFFAOYSA-N -1 3 334.445 2.595 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)c2cncc3[nH]c(C(F)(F)F)nc32)c1 ZINC001631986916 1100445559 /nfs/dbraw/zinc/44/55/59/1100445559.db2.gz MKSMJMXWUNBIIM-UHFFFAOYSA-N -1 3 347.256 2.572 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)c2c[nH]cc3nc(C(F)(F)F)nc2-3)c1 ZINC001631986916 1100445562 /nfs/dbraw/zinc/44/55/62/1100445562.db2.gz MKSMJMXWUNBIIM-UHFFFAOYSA-N -1 3 347.256 2.572 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC001631987409 1100445646 /nfs/dbraw/zinc/44/56/46/1100445646.db2.gz UQXDPYGQXFOGIO-UHFFFAOYSA-N -1 3 346.289 2.923 10 30 EFEEHM CC(=O)c1ccc(C(=O)Nc2ncccc2OCCCC#N)cc1[O-] ZINC001632088733 1100452206 /nfs/dbraw/zinc/45/22/06/1100452206.db2.gz YSIHWFYATXNYFE-UHFFFAOYSA-N -1 3 339.351 2.925 10 30 EFEEHM CC(C)(C)C#CC(=O)Nc1ccc(I)cc1[O-] ZINC001632757883 1100499768 /nfs/dbraw/zinc/49/97/68/1100499768.db2.gz KPKCUBQEIHQBOK-UHFFFAOYSA-N -1 3 343.164 2.985 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001634216406 1100591332 /nfs/dbraw/zinc/59/13/32/1100591332.db2.gz XBTZGZMZVGXAQK-GTNSWQLSSA-N -1 3 346.814 2.893 10 30 EFEEHM CC(C)(C)c1cc(C(=O)N[C@H]2CCN([O-])C2=O)c(O)c(C(C)(C)C)c1 ZINC001636352998 1100715092 /nfs/dbraw/zinc/71/50/92/1100715092.db2.gz PXMRRIDSRYFNKP-AWEZNQCLSA-N -1 3 348.443 2.707 10 30 EFEEHM C#C[C@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001638849174 1100891503 /nfs/dbraw/zinc/89/15/03/1100891503.db2.gz XLZYZAILYLKXRB-SFHVURJKSA-N -1 3 335.403 2.652 10 30 EFEEHM CCCCN([O-])C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC001639072058 1100909802 /nfs/dbraw/zinc/90/98/02/1100909802.db2.gz RPDYSQNMFGXKQL-GFCCVEGCSA-N -1 3 332.466 2.747 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC001639072141 1100910223 /nfs/dbraw/zinc/91/02/23/1100910223.db2.gz VZZMHTUELMRWHR-LBPRGKRZSA-N -1 3 342.189 2.549 10 30 EFEEHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(-c2ccncc2)n1 ZINC001639079084 1100910767 /nfs/dbraw/zinc/91/07/67/1100910767.db2.gz ZEJBBSOSZVNQCG-UHFFFAOYSA-N -1 3 326.331 2.653 10 30 EFEEHM O=C(c1cn(-c2cccnc2)nn1)N([O-])Cc1cccc2ccccc21 ZINC001639078989 1100911081 /nfs/dbraw/zinc/91/10/81/1100911081.db2.gz WZNUPSAUILFJEG-UHFFFAOYSA-N -1 3 345.362 2.847 10 30 EFEEHM O=C(C(F)=C1CCCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001641857830 1101170537 /nfs/dbraw/zinc/17/05/37/1101170537.db2.gz IXOCNMASJLBHLM-UHFFFAOYSA-N -1 3 346.358 2.688 10 30 EFEEHM C=CCn1cnnc1SCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001651691319 1101369742 /nfs/dbraw/zinc/36/97/42/1101369742.db2.gz UZTQHDLBEFDLFV-UHFFFAOYSA-N -1 3 325.397 2.919 10 30 EFEEHM C=CCC1(O)CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001651763099 1101379491 /nfs/dbraw/zinc/37/94/91/1101379491.db2.gz ALFHHIIZSXPSGT-UHFFFAOYSA-N -1 3 325.364 2.948 10 30 EFEEHM C#CCC1(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)CCCCC1 ZINC001652798090 1101547561 /nfs/dbraw/zinc/54/75/61/1101547561.db2.gz CPRFCMXUFKBXPS-JTQLQIEISA-N -1 3 328.338 2.975 10 30 EFEEHM O=C([C@H]1CCS(=O)(=O)c2ccccc21)N([O-])Cc1ccc(F)cc1 ZINC001654828907 1101760428 /nfs/dbraw/zinc/76/04/28/1101760428.db2.gz LTXPLJFQVXFPRB-HNNXBMFYSA-N -1 3 349.383 2.505 10 30 EFEEHM CCCCN([O-])C(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001654821506 1101761606 /nfs/dbraw/zinc/76/16/06/1101761606.db2.gz FXBAMJZSNJANCV-UHFFFAOYSA-N -1 3 339.193 2.661 10 30 EFEEHM CCN(CC#Cc1ccc(F)cc1)CCNC(=O)c1ccccc1[O-] ZINC001266377743 1101783929 /nfs/dbraw/zinc/78/39/29/1101783929.db2.gz DOSMYGRMQZQJPH-UHFFFAOYSA-N -1 3 340.398 2.635 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OC ZINC001656973694 1102276692 /nfs/dbraw/zinc/27/66/92/1102276692.db2.gz LHTRDSGRGRZZBY-ISXOHVOVSA-N -1 3 343.489 2.774 10 30 EFEEHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)c1cccc2ccccc21 ZINC001656977581 1102279973 /nfs/dbraw/zinc/27/99/73/1102279973.db2.gz KKEUUIFLDFNHSX-KRWDZBQOSA-N -1 3 347.436 2.940 10 30 EFEEHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccncc1 ZINC001660307268 1102680591 /nfs/dbraw/zinc/68/05/91/1102680591.db2.gz NJSFMVLHYPYPON-NSHDSACASA-N -1 3 341.795 2.865 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cscn1)c1ccc(Cl)cc1F ZINC001661920910 1103505003 /nfs/dbraw/zinc/50/50/03/1103505003.db2.gz XOMDGUVMIJGQMH-LLVKDONJSA-N -1 3 330.793 2.588 10 30 EFEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(OC)s1 ZINC001664401790 1104378906 /nfs/dbraw/zinc/37/89/06/1104378906.db2.gz SQFWNBGLVTYPGJ-ZDUSSCGKSA-N -1 3 338.454 2.617 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC001665327050 1104668971 /nfs/dbraw/zinc/66/89/71/1104668971.db2.gz ZYIXIWIOTHZUBB-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CCCCC1 ZINC001666344385 1104930147 /nfs/dbraw/zinc/93/01/47/1104930147.db2.gz QWIADNLWANIVRA-UHFFFAOYSA-N -1 3 342.442 2.969 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OC ZINC001671557676 1105657898 /nfs/dbraw/zinc/65/78/98/1105657898.db2.gz WZJMBMUDOUOEAE-CQSZACIVSA-N -1 3 345.848 2.657 10 30 EFEEHM C[C@H](c1ccc(Cn2ccc(C=N[O-])nc2=O)cc1)C(F)(F)F ZINC000842030919 1106240313 /nfs/dbraw/zinc/24/03/13/1106240313.db2.gz NZRHLCOUDIHYKE-SNVBAGLBSA-N -1 3 325.290 2.766 10 30 EFEEHM C=CCC1(C(=O)N[C@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CCC1 ZINC000888232752 1106329777 /nfs/dbraw/zinc/32/97/77/1106329777.db2.gz DRICTERXOSYILB-AWEZNQCLSA-N -1 3 344.459 2.747 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233279 1106366734 /nfs/dbraw/zinc/36/67/34/1106366734.db2.gz IFUTUBHNILWJLG-CYBMUJFWSA-N -1 3 332.448 2.603 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233973 1106545457 /nfs/dbraw/zinc/54/54/57/1106545457.db2.gz VHCXQVSYHSMRNR-ZDUSSCGKSA-N -1 3 332.448 2.603 10 30 EFEEHM C=C1CCC(C(=O)N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CC1 ZINC000888235763 1107087080 /nfs/dbraw/zinc/08/70/80/1107087080.db2.gz YSUOGIGFLDJAKJ-OAHLLOKOSA-N -1 3 344.459 2.747 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678772960 1107285944 /nfs/dbraw/zinc/28/59/44/1107285944.db2.gz ZTPKIAXWSKSQLC-PBHICJAKSA-N -1 3 344.455 2.961 10 30 EFEEHM COC(=O)[C@@H]1CC[C@@H]1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178776 1107673262 /nfs/dbraw/zinc/67/32/62/1107673262.db2.gz UDSRSIHMOUQAJC-NWDGAFQWSA-N -1 3 332.183 2.910 10 30 EFEEHM Nc1nc(C2CCCC2)ncc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904177576 1107694164 /nfs/dbraw/zinc/69/41/64/1107694164.db2.gz HZYHCBAMCDXNBL-UHFFFAOYSA-N -1 3 330.363 2.887 10 30 EFEEHM O=C(Cc1ccccc1N1CCCC1=O)N([O-])Cc1ccc(F)cc1 ZINC000904178386 1107696255 /nfs/dbraw/zinc/69/62/55/1107696255.db2.gz HZQHQJOXTVRFFQ-UHFFFAOYSA-N -1 3 342.370 2.913 10 30 EFEEHM CCC(=O)N[C@@H](CCSC)C(=O)N([O-])Cc1ccccc1Cl ZINC000904188349 1107701555 /nfs/dbraw/zinc/70/15/55/1107701555.db2.gz BSQSNNTYCZXSJZ-ZDUSSCGKSA-N -1 3 344.864 2.706 10 30 EFEEHM COC(=O)[C@@H]1CO[C@H](CCC(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904192425 1107705027 /nfs/dbraw/zinc/70/50/27/1107705027.db2.gz LLURTEOLMIAZLR-DLBZAZTESA-N -1 3 349.427 2.585 10 30 EFEEHM O=C(c1cc2n(n1)CCCC2=O)N([O-])CCCCc1ccccc1 ZINC000904192535 1107706599 /nfs/dbraw/zinc/70/65/99/1107706599.db2.gz PHKFMZFQWBUGLS-UHFFFAOYSA-N -1 3 327.384 2.714 10 30 EFEEHM COC(=O)c1ccc(CC(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904196282 1107707367 /nfs/dbraw/zinc/70/73/67/1107707367.db2.gz SICSKHMKQCWYEB-UHFFFAOYSA-N -1 3 342.395 2.651 10 30 EFEEHM O=C(NC1CC1)C1(C(=O)N([O-])CCCCc2ccccc2)CCC1 ZINC000904197056 1107709474 /nfs/dbraw/zinc/70/94/74/1107709474.db2.gz PUKPUFNDFVZFMX-UHFFFAOYSA-N -1 3 330.428 2.676 10 30 EFEEHM Cc1nnc(COCC(=O)N([O-])CCCCc2ccccc2)s1 ZINC000904197644 1107710309 /nfs/dbraw/zinc/71/03/09/1107710309.db2.gz KAJRTHAYDRTBEI-UHFFFAOYSA-N -1 3 335.429 2.604 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nn(-c2ccc(F)cc2)ccc1=O ZINC000904204716 1107718577 /nfs/dbraw/zinc/71/85/77/1107718577.db2.gz ROAKHZCZZJHLFN-UHFFFAOYSA-N -1 3 333.363 2.783 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001680459164 1107875206 /nfs/dbraw/zinc/87/52/06/1107875206.db2.gz VPTRVUBLSMXHEO-YOEHRIQHSA-N -1 3 342.439 2.880 10 30 EFEEHM C=C(C)CCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001680636374 1107993063 /nfs/dbraw/zinc/99/30/63/1107993063.db2.gz UYXOLWYXVBEBEC-ZBFHGGJFSA-N -1 3 330.428 2.858 10 30 EFEEHM CCOC(=O)[C@@H](CSC)/N=C\c1cc(Br)ccc1[O-] ZINC000905001653 1108318161 /nfs/dbraw/zinc/31/81/61/1108318161.db2.gz BTANECCCWQNMFJ-LYGDGENHSA-N -1 3 346.246 2.868 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC001681757301 1108410594 /nfs/dbraw/zinc/41/05/94/1108410594.db2.gz VKTJLUXXTBNTRU-AUUYWEPGSA-N -1 3 332.444 2.961 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001681925939 1108483436 /nfs/dbraw/zinc/48/34/36/1108483436.db2.gz LIPLNHQMNMXJKR-CABCVRRESA-N -1 3 344.455 2.867 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001682123877 1108577963 /nfs/dbraw/zinc/57/79/63/1108577963.db2.gz IWFGQLGAQFVPHA-GJZGRUSLSA-N -1 3 344.455 2.819 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001682693282 1108628934 /nfs/dbraw/zinc/62/89/34/1108628934.db2.gz HRZAOTUPWHMYCP-SJORKVTESA-N -1 3 342.439 2.906 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1C[C@@H](NC(=O)c2ccccc2[O-])C12CCC2 ZINC001682693280 1108629068 /nfs/dbraw/zinc/62/90/68/1108629068.db2.gz HRZAOTUPWHMYCP-IAGOWNOFSA-N -1 3 342.439 2.906 10 30 EFEEHM C#CC1(O)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000899115735 1109210955 /nfs/dbraw/zinc/21/09/55/1109210955.db2.gz VNOSASJDJGOJRC-UHFFFAOYSA-N -1 3 337.375 2.785 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1 ZINC001127331624 1111477081 /nfs/dbraw/zinc/47/70/81/1111477081.db2.gz ROWVAJKKNAYMOA-UHFFFAOYSA-N -1 3 346.734 2.540 10 30 EFEEHM C=CC[C@@H](CO)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC000296050974 241072098 /nfs/dbraw/zinc/07/20/98/241072098.db2.gz QKDPQDIBYRZAIT-VIFPVBQESA-N -1 3 334.160 2.594 10 30 EFEEHM CN(C)CCCc1cc(C(=O)c2ccccc2)c(=O)c2cn(C)[n-]c1-2 ZINC000211829887 241086194 /nfs/dbraw/zinc/08/61/94/241086194.db2.gz FYUHIEMGTMMSBZ-OAHLLOKOSA-N -1 3 337.423 2.851 10 30 EFEEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CC[C@@H](CC#N)C1)c2=O ZINC000295588026 241057879 /nfs/dbraw/zinc/05/78/79/241057879.db2.gz QYAZVJPSURMULV-RYUDHWBXSA-N -1 3 325.368 2.761 10 30 EFEEHM C=CCC[C@@H](C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298830861 241161015 /nfs/dbraw/zinc/16/10/15/241161015.db2.gz CJWDGZLAVOUPRY-JKSUJKDBSA-N -1 3 340.427 2.554 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328637131 241210593 /nfs/dbraw/zinc/21/05/93/241210593.db2.gz ANVOMBCVAARRHO-BMLIUANNSA-N -1 3 334.395 2.979 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328637131 241210598 /nfs/dbraw/zinc/21/05/98/241210598.db2.gz ANVOMBCVAARRHO-BMLIUANNSA-N -1 3 334.395 2.979 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328637131 241210606 /nfs/dbraw/zinc/21/06/06/241210606.db2.gz ANVOMBCVAARRHO-BMLIUANNSA-N -1 3 334.395 2.979 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)cc2nn[n-]c21 ZINC000328664047 241214409 /nfs/dbraw/zinc/21/44/09/241214409.db2.gz YHZWLBRAJPHGQK-TZMCWYRMSA-N -1 3 328.351 2.782 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)cc2[n-]nnc21 ZINC000328664047 241214412 /nfs/dbraw/zinc/21/44/12/241214412.db2.gz YHZWLBRAJPHGQK-TZMCWYRMSA-N -1 3 328.351 2.782 10 30 EFEEHM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1cc(F)cc2n[n-]nc21 ZINC000328664047 241214416 /nfs/dbraw/zinc/21/44/16/241214416.db2.gz YHZWLBRAJPHGQK-TZMCWYRMSA-N -1 3 328.351 2.782 10 30 EFEEHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000355850631 242050303 /nfs/dbraw/zinc/05/03/03/242050303.db2.gz XQZGJBCETWYVHM-INIZCTEOSA-N -1 3 336.457 2.768 10 30 EFEEHM C[C@H](C#N)CN(C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C1CC1 ZINC000355318971 242029711 /nfs/dbraw/zinc/02/97/11/242029711.db2.gz MMLCZSVVHMFCGV-SECBINFHSA-N -1 3 331.322 2.571 10 30 EFEEHM COc1cc2c(cc1C([O-])=C(C#N)c1cnc3ccccc3n1)OCO2 ZINC000361517191 242225902 /nfs/dbraw/zinc/22/59/02/242225902.db2.gz ABYIXQMSBSXMIE-LBPRGKRZSA-N -1 3 347.330 2.857 10 30 EFEEHM Cc1nc2c(s1)[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)CCC2 ZINC000365010277 242314667 /nfs/dbraw/zinc/31/46/67/242314667.db2.gz HCZYKTTZWSLMNC-CQSZACIVSA-N -1 3 347.465 2.988 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)n[n-]1 ZINC000365393366 242322310 /nfs/dbraw/zinc/32/23/10/242322310.db2.gz VACPJEHSQSBIBA-UHFFFAOYSA-N -1 3 334.383 2.864 10 30 EFEEHM Cn1ccnc1-c1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)[n-]n1 ZINC000365393366 242322318 /nfs/dbraw/zinc/32/23/18/242322318.db2.gz VACPJEHSQSBIBA-UHFFFAOYSA-N -1 3 334.383 2.864 10 30 EFEEHM COC(=O)c1[n-]c(=NCCSCc2ccccc2C#N)sc1C ZINC000433628130 248077828 /nfs/dbraw/zinc/07/78/28/248077828.db2.gz ILPZRFCJZLPHFT-UHFFFAOYSA-N -1 3 347.465 2.877 10 30 EFEEHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435429596 248240591 /nfs/dbraw/zinc/24/05/91/248240591.db2.gz YDCZBVCAIJCTKP-UHFFFAOYSA-N -1 3 342.829 2.760 10 30 EFEEHM N#Cc1ccnc([N-]C(=O)c2cc(COc3ccccc3F)on2)c1 ZINC000436017880 249452459 /nfs/dbraw/zinc/45/24/59/249452459.db2.gz 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C=C[C@@H](O)C(=O)Nc1cc(Br)cc(C(C)(C)C)c1[O-] ZINC000616688071 479949752 /nfs/dbraw/zinc/94/97/52/479949752.db2.gz LOJMQOCRLUDKMP-LLVKDONJSA-N -1 3 328.206 2.938 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000076989429 472441759 /nfs/dbraw/zinc/44/17/59/472441759.db2.gz VFMJNARJIQDQMZ-JTQLQIEISA-N -1 3 347.375 2.910 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000076989429 472441765 /nfs/dbraw/zinc/44/17/65/472441765.db2.gz VFMJNARJIQDQMZ-JTQLQIEISA-N -1 3 347.375 2.910 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000076989429 472441774 /nfs/dbraw/zinc/44/17/74/472441774.db2.gz VFMJNARJIQDQMZ-JTQLQIEISA-N -1 3 347.375 2.910 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)CNC(=O)CC(C)(C)C)n[n-]2)s1 ZINC000057549937 472449761 /nfs/dbraw/zinc/44/97/61/472449761.db2.gz ANNURPJKBQHNGB-UHFFFAOYSA-N -1 3 335.433 2.982 10 30 EFEEHM Cc1ccsc1-c1nc(NC(=O)CNC(=O)c2ccccc2)n[n-]1 ZINC000071795717 472565784 /nfs/dbraw/zinc/56/57/84/472565784.db2.gz BDEYOADFNOVJII-UHFFFAOYSA-N -1 3 341.396 2.860 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1nccs1 ZINC000131742627 472689615 /nfs/dbraw/zinc/68/96/15/472689615.db2.gz BRCIIYLHSUGCNO-CQSZACIVSA-N -1 3 344.440 2.520 10 30 EFEEHM CCCn1c(=O)[n-]nc1SCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000133586698 472820778 /nfs/dbraw/zinc/82/07/78/472820778.db2.gz BUUHNOGVXMPZNY-UHFFFAOYSA-N -1 3 342.384 2.608 10 30 EFEEHM N#Cc1cc(NCCNC(=O)c2ccc([O-])cc2)nc2ccccc12 ZINC000075094608 473124250 /nfs/dbraw/zinc/12/42/50/473124250.db2.gz MCAWHRGRLBWVIS-UHFFFAOYSA-N -1 3 332.363 2.654 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2cccc(F)c2)c(F)c1 ZINC000151176135 473421554 /nfs/dbraw/zinc/42/15/54/473421554.db2.gz BLYQFKXUSBPXCA-UHFFFAOYSA-N -1 3 336.363 2.748 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000151180396 473421598 /nfs/dbraw/zinc/42/15/98/473421598.db2.gz DLQKNBDSINZFLA-GJZGRUSLSA-N -1 3 330.384 2.779 10 30 EFEEHM C=CCN(CCOC)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000191078508 473472950 /nfs/dbraw/zinc/47/29/50/473472950.db2.gz PBHLIMVTMXURMO-UHFFFAOYSA-N -1 3 345.424 2.879 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044952 473621389 /nfs/dbraw/zinc/62/13/89/473621389.db2.gz YLUFLIHZTXPZHM-MRXNPFEDSA-N -1 3 339.395 2.753 10 30 EFEEHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000186429321 473673485 /nfs/dbraw/zinc/67/34/85/473673485.db2.gz MHHZVEHYKOBCGR-SECBINFHSA-N -1 3 331.781 2.527 10 30 EFEEHM C[C@@H]1CCCN(S(=O)(=O)[N-]c2cc(C#N)ccc2OC(F)F)C1 ZINC000172892418 473698414 /nfs/dbraw/zinc/69/84/14/473698414.db2.gz JSBVYJKGGGYLMP-SNVBAGLBSA-N -1 3 345.371 2.548 10 30 EFEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000180855276 473977482 /nfs/dbraw/zinc/97/74/82/473977482.db2.gz RURDJPDKGRCHDY-LLVKDONJSA-N -1 3 328.390 2.627 10 30 EFEEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1sc2c(c1C#N)CCC2 ZINC000195525649 474088975 /nfs/dbraw/zinc/08/89/75/474088975.db2.gz YUGJXNQQEKSLMI-UHFFFAOYSA-N -1 3 328.353 2.972 10 30 EFEEHM CC(C)(C)OC(=O)c1cnc(C(=O)[N-]c2sccc2C#N)cn1 ZINC000282682906 474155851 /nfs/dbraw/zinc/15/58/51/474155851.db2.gz QJAFAIOMBRTQFF-UHFFFAOYSA-N -1 3 330.369 2.617 10 30 EFEEHM C=C(C)C[C@@H](C)c1nc(-c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000290241636 474563104 /nfs/dbraw/zinc/56/31/04/474563104.db2.gz SCBWDBCUKSXTNQ-ADLMAVQZSA-N -1 3 340.383 2.861 10 30 EFEEHM C=CCCCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000279114277 474961152 /nfs/dbraw/zinc/96/11/52/474961152.db2.gz KWNDEQKADRVWGJ-UHFFFAOYSA-N -1 3 341.433 2.545 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000279711116 474988222 /nfs/dbraw/zinc/98/82/22/474988222.db2.gz HWRHOKQWAOESAJ-UHFFFAOYSA-N -1 3 334.235 2.702 10 30 EFEEHM Cc1nc(C2CC2)oc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000273659316 475002769 /nfs/dbraw/zinc/00/27/69/475002769.db2.gz XSLCSAADRXNIOF-UHFFFAOYSA-N -1 3 348.366 2.624 10 30 EFEEHM CCOC(=O)[C@H](CCOC)/N=C/c1cc(Br)ccc1[O-] ZINC000281046929 475066514 /nfs/dbraw/zinc/06/65/14/475066514.db2.gz QCWGZCWTNOVFQF-RGZVIEDOSA-N -1 3 344.205 2.542 10 30 EFEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C#N)ccn3)c2)n1 ZINC000339260818 475092633 /nfs/dbraw/zinc/09/26/33/475092633.db2.gz KNTCZGQCOMXDEP-UHFFFAOYSA-N -1 3 345.362 2.931 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccncc1 ZINC000613934159 480149978 /nfs/dbraw/zinc/14/99/78/480149978.db2.gz AKKJBGKCQLNYOG-NSHDSACASA-N -1 3 335.816 2.689 10 30 EFEEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000292819547 475207276 /nfs/dbraw/zinc/20/72/76/475207276.db2.gz NWEURLQRHISQEW-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C(C)C)cn1 ZINC000331023014 475303049 /nfs/dbraw/zinc/30/30/49/475303049.db2.gz QYLPDUUVWCAXMR-UONOGXRCSA-N -1 3 339.461 2.509 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(C(N)=O)CC1 ZINC000331282654 475333566 /nfs/dbraw/zinc/33/35/66/475333566.db2.gz RMPDUHSPSWSCCD-UHFFFAOYSA-N -1 3 341.820 2.584 10 30 EFEEHM CC[C@@](C)([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nccs1 ZINC000352863496 475659551 /nfs/dbraw/zinc/65/95/51/475659551.db2.gz VKXHBRZRPGQOIE-CYBMUJFWSA-N -1 3 327.475 2.772 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000352949284 475671416 /nfs/dbraw/zinc/67/14/16/475671416.db2.gz SGHLEGJOINMBSQ-HNNXBMFYSA-N -1 3 334.441 2.740 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)CCC1 ZINC000349497656 475975069 /nfs/dbraw/zinc/97/50/69/475975069.db2.gz MBIZCWGXZLVGDW-CYBMUJFWSA-N -1 3 346.374 2.946 10 30 EFEEHM C[C@H](CC#N)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000347030602 476047948 /nfs/dbraw/zinc/04/79/48/476047948.db2.gz NGGMLSQEXPPOLZ-SECBINFHSA-N -1 3 348.200 2.665 10 30 EFEEHM CC(C)[C@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000343657519 476098703 /nfs/dbraw/zinc/09/87/03/476098703.db2.gz JEOUESKNCCTWOR-ZDUSSCGKSA-N -1 3 348.200 2.569 10 30 EFEEHM N#CC[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000356400499 476104015 /nfs/dbraw/zinc/10/40/15/476104015.db2.gz VFIGHIFBPKALRT-MRXNPFEDSA-N -1 3 346.394 2.817 10 30 EFEEHM N#CC[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000356400499 476104026 /nfs/dbraw/zinc/10/40/26/476104026.db2.gz VFIGHIFBPKALRT-MRXNPFEDSA-N -1 3 346.394 2.817 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CCOC[C@@H]2C)no1 ZINC000350604281 476263179 /nfs/dbraw/zinc/26/31/79/476263179.db2.gz WADOXOYKRIWGEN-GWCFXTLKSA-N -1 3 342.399 2.584 10 30 EFEEHM C[C@@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304248851 476271059 /nfs/dbraw/zinc/27/10/59/476271059.db2.gz GOZTUABILMMQOQ-ZETCQYMHSA-N -1 3 337.626 2.540 10 30 EFEEHM C[C@H](C#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304248848 476271225 /nfs/dbraw/zinc/27/12/25/476271225.db2.gz GOZTUABILMMQOQ-SSDOTTSWSA-N -1 3 337.626 2.540 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2cc(-c3ccccc3)no2)CCCC1 ZINC000354064800 476401056 /nfs/dbraw/zinc/40/10/56/476401056.db2.gz JXPUBERJEWIGNC-UHFFFAOYSA-N -1 3 345.424 2.845 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2nc3ccccc3s2)CCCC1 ZINC000354064404 476401606 /nfs/dbraw/zinc/40/16/06/476401606.db2.gz HOQNCGCOCVTVCQ-UHFFFAOYSA-N -1 3 335.454 2.800 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CC1 ZINC000352353574 476657802 /nfs/dbraw/zinc/65/78/02/476657802.db2.gz ZLJURPRVVWMZBD-UHFFFAOYSA-N -1 3 338.738 2.832 10 30 EFEEHM COc1ccc(S(=O)(=O)[N-]CC2(CC#N)CC2)c(Cl)c1Cl ZINC000429968107 476725867 /nfs/dbraw/zinc/72/58/67/476725867.db2.gz HFPZSDGXCANALP-UHFFFAOYSA-N -1 3 349.239 2.974 10 30 EFEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000385137316 476758763 /nfs/dbraw/zinc/75/87/63/476758763.db2.gz HUZFHYYIDUWICP-UHFFFAOYSA-N -1 3 348.262 2.948 10 30 EFEEHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000445697438 476760579 /nfs/dbraw/zinc/76/05/79/476760579.db2.gz PYUSUMRGUOQMEB-LBPRGKRZSA-N -1 3 338.326 2.953 10 30 EFEEHM CC1(C)CCC[C@](O)(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000445741429 476765409 /nfs/dbraw/zinc/76/54/09/476765409.db2.gz 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CCOC(=O)[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451399627 477993414 /nfs/dbraw/zinc/99/34/14/477993414.db2.gz ZKKYQODQEFPHGL-CYBMUJFWSA-N -1 3 346.493 2.604 10 30 EFEEHM C=CCCCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000517039493 478043035 /nfs/dbraw/zinc/04/30/35/478043035.db2.gz XCIRCEBQYWTETG-UHFFFAOYSA-N -1 3 345.443 2.606 10 30 EFEEHM CC(C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000533219486 478051778 /nfs/dbraw/zinc/05/17/78/478051778.db2.gz GJYMGUYGDCNQAI-UHFFFAOYSA-N -1 3 337.626 2.683 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CCOCC2)c(Cl)c1 ZINC000451606112 478121698 /nfs/dbraw/zinc/12/16/98/478121698.db2.gz GSGDLWSNDXOXJD-UHFFFAOYSA-N -1 3 342.848 2.697 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000451738308 478185651 /nfs/dbraw/zinc/18/56/51/478185651.db2.gz QCBCDEXHFMGEDH-ONGXEEELSA-N -1 3 343.792 2.609 10 30 EFEEHM CC[C@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)Oc1cccc(F)c1 ZINC000561995833 478212337 /nfs/dbraw/zinc/21/23/37/478212337.db2.gz 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N#CC1(C[N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCCC1 ZINC000594884910 478573273 /nfs/dbraw/zinc/57/32/73/478573273.db2.gz YYMYCAQMWAFGBP-UHFFFAOYSA-N -1 3 347.362 2.853 10 30 EFEEHM CC[C@H](COCC1CC1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597922153 478575483 /nfs/dbraw/zinc/57/54/83/478575483.db2.gz ZBEKZDXFEBSBAN-OAHLLOKOSA-N -1 3 345.443 2.530 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](CCF)C1 ZINC000598218817 478709363 /nfs/dbraw/zinc/70/93/63/478709363.db2.gz DMLPXEJRBBVHMN-CQSZACIVSA-N -1 3 333.407 2.807 10 30 EFEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ccccc1 ZINC000595353275 478744678 /nfs/dbraw/zinc/74/46/78/478744678.db2.gz IZPBGBKLYLDVEF-MSOLQXFVSA-N -1 3 344.436 2.595 10 30 EFEEHM CC(C)[C@H](O)[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000595353197 478744698 /nfs/dbraw/zinc/74/46/98/478744698.db2.gz ICITXXGFKYYDBY-MSOLQXFVSA-N -1 3 344.436 2.595 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C#N)CCCCC1 ZINC000598301429 478754282 /nfs/dbraw/zinc/75/42/82/478754282.db2.gz JIZWEMNLQJJUSJ-UHFFFAOYSA-N -1 3 340.427 2.799 10 30 EFEEHM CC1(C)CC([N-]S(=O)(=O)c2cc(Br)ccc2C#N)C1 ZINC000595390068 478759854 /nfs/dbraw/zinc/75/98/54/478759854.db2.gz UIPLIWZCFWASQR-UHFFFAOYSA-N -1 3 343.246 2.788 10 30 EFEEHM C[C@H](O)[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000595406125 478765143 /nfs/dbraw/zinc/76/51/43/478765143.db2.gz IACWFXJCWBGITM-HOCLYGCPSA-N -1 3 336.457 2.502 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)(C1CC1)C1CC1 ZINC000598382532 478797952 /nfs/dbraw/zinc/79/79/52/478797952.db2.gz ZTLOQOOSPMJDJM-UHFFFAOYSA-N -1 3 327.428 2.903 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1ccc2ccccc2c1)C(=O)OC ZINC000601502177 478854330 /nfs/dbraw/zinc/85/43/30/478854330.db2.gz MGLRNADUDVEWKP-KRWDZBQOSA-N -1 3 347.436 2.767 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1([C@@H]2CCCCO2)CCC1 ZINC000601521383 478863104 /nfs/dbraw/zinc/86/31/04/478863104.db2.gz XWJDLPODOCGVML-AWEZNQCLSA-N -1 3 340.470 2.637 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CCC2)[C@@H]2CCCO2)CCCCC1 ZINC000601521029 478863145 /nfs/dbraw/zinc/86/31/45/478863145.db2.gz VXVKROFIIIRDCE-JKSUJKDBSA-N -1 3 340.489 2.728 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCc2cccnc21 ZINC000601526490 478864351 /nfs/dbraw/zinc/86/43/51/478864351.db2.gz MJVHLKCRXRAPRH-LBPRGKRZSA-N -1 3 347.827 2.615 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCc3cccnc32)c(Cl)c1 ZINC000601527413 478865153 /nfs/dbraw/zinc/86/51/53/478865153.db2.gz SNUSLXGGPMYEKN-CYBMUJFWSA-N -1 3 347.827 2.615 10 30 EFEEHM N#Cc1ccc([N-]S(=O)(=O)CCCC2CCOCC2)c(F)c1 ZINC000592382417 478875051 /nfs/dbraw/zinc/87/50/51/478875051.db2.gz UBTMRZWEVXCDLV-UHFFFAOYSA-N -1 3 326.393 2.646 10 30 EFEEHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CC1 ZINC000565657456 479056332 /nfs/dbraw/zinc/05/63/32/479056332.db2.gz ACMBUBPSQIYEHC-MRXNPFEDSA-N -1 3 338.429 2.536 10 30 EFEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000592949590 479105969 /nfs/dbraw/zinc/10/59/69/479105969.db2.gz KKBILBKAAAXGAL-UHFFFAOYSA-N -1 3 326.400 2.931 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000573741066 479134448 /nfs/dbraw/zinc/13/44/48/479134448.db2.gz DIAYKOKQBSUFHT-UHFFFAOYSA-N -1 3 329.393 2.637 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000556392383 479170351 /nfs/dbraw/zinc/17/03/51/479170351.db2.gz KNYBAWJIPLVVPP-UHFFFAOYSA-N -1 3 349.637 2.685 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccncc1 ZINC000611025363 479265944 /nfs/dbraw/zinc/26/59/44/479265944.db2.gz UMLPPUXHVJAYBQ-LLVKDONJSA-N -1 3 335.816 2.689 10 30 EFEEHM N#Cc1ccc(F)c(CS(=O)(=O)[N-]Cc2ccc(Cl)o2)c1 ZINC000611231636 479317208 /nfs/dbraw/zinc/31/72/08/479317208.db2.gz PUQAGTAQELJYNT-UHFFFAOYSA-N -1 3 328.752 2.563 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)c(F)c1 ZINC000585736773 479317742 /nfs/dbraw/zinc/31/77/42/479317742.db2.gz XLEPFZWQDDWPFH-UHFFFAOYSA-N -1 3 342.754 2.968 10 30 EFEEHM CN(CCCC[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593535109 479380017 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N#Cc1sccc1S(=O)(=O)[N-]C1CC(OCc2ccccc2)C1 ZINC000593578734 479392848 /nfs/dbraw/zinc/39/28/48/479392848.db2.gz WYRUOQOIMPVMOU-UHFFFAOYSA-N -1 3 348.449 2.646 10 30 EFEEHM COC(=O)c1cc(Cl)cc(NC(=O)Cc2cccc(C#N)c2)c1[O-] ZINC000588098205 479394565 /nfs/dbraw/zinc/39/45/65/479394565.db2.gz IIIMCXSEEXINCA-UHFFFAOYSA-N -1 3 344.754 2.885 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000593595468 479397136 /nfs/dbraw/zinc/39/71/36/479397136.db2.gz GLIRWHNOBJZDOW-ZIAGYGMSSA-N -1 3 348.449 2.818 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000593595467 479397158 /nfs/dbraw/zinc/39/71/58/479397158.db2.gz GLIRWHNOBJZDOW-KGLIPLIRSA-N -1 3 348.449 2.818 10 30 EFEEHM CC(C)(C)c1ccncc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593606218 479399904 /nfs/dbraw/zinc/39/99/04/479399904.db2.gz CCLAAFLITKUHLL-UHFFFAOYSA-N -1 3 335.454 2.791 10 30 EFEEHM C[C@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593607124 479400869 /nfs/dbraw/zinc/40/08/69/479400869.db2.gz 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480234029 /nfs/dbraw/zinc/23/40/29/480234029.db2.gz VSTVUKJKQRBLLX-UHFFFAOYSA-N -1 3 337.335 2.955 10 30 EFEEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H](C)c1cccc(C#N)c1)c2=O ZINC000610366764 480292579 /nfs/dbraw/zinc/29/25/79/480292579.db2.gz VRKMYHVRYCIWBT-LBPRGKRZSA-N -1 3 347.374 2.899 10 30 EFEEHM C=CCCOCC(=O)Nc1cc(I)ccc1[O-] ZINC000610490340 480318492 /nfs/dbraw/zinc/31/84/92/480318492.db2.gz MBRVMYXTXCFURR-UHFFFAOYSA-N -1 3 347.152 2.528 10 30 EFEEHM N#CC1(C(=O)Nc2cc(I)ccc2[O-])CCC1 ZINC000610486493 480319132 /nfs/dbraw/zinc/31/91/32/480319132.db2.gz ZMIOYABOEOFTOB-UHFFFAOYSA-N -1 3 342.136 2.629 10 30 EFEEHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccccc1 ZINC000178532457 522756180 /nfs/dbraw/zinc/75/61/80/522756180.db2.gz LWBAPPUIGIJGLC-INIZCTEOSA-N -1 3 330.409 2.533 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1c(C)noc1C ZINC000119256682 522902848 /nfs/dbraw/zinc/90/28/48/522902848.db2.gz CCKBNSLBJFTSTL-CQSZACIVSA-N -1 3 337.376 2.732 10 30 EFEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cc(C#N)cs3)cc2)n1 ZINC000084086618 526117911 /nfs/dbraw/zinc/11/79/11/526117911.db2.gz PSHVRAWSSPXAHW-UHFFFAOYSA-N -1 3 336.376 2.931 10 30 EFEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC000070940262 526413490 /nfs/dbraw/zinc/41/34/90/526413490.db2.gz YBIBPCZWQSOSRF-SECBINFHSA-N -1 3 325.390 2.502 10 30 EFEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000156907149 526554738 /nfs/dbraw/zinc/55/47/38/526554738.db2.gz HJXJWKSRBOXTEN-ZDUSSCGKSA-N -1 3 334.784 2.624 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1 ZINC000177998294 526633588 /nfs/dbraw/zinc/63/35/88/526633588.db2.gz WVSWVYPPPHEBEU-ZDUSSCGKSA-N -1 3 334.784 2.624 10 30 EFEEHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000161141131 527402801 /nfs/dbraw/zinc/40/28/01/527402801.db2.gz QAHNUDDTZUQTDX-CYBMUJFWSA-N -1 3 327.384 2.665 10 30 EFEEHM CC(C)c1nc(C2([N-]S(=O)(=O)CCCCC#N)CCCC2)no1 ZINC000177610316 528266519 /nfs/dbraw/zinc/26/65/19/528266519.db2.gz 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N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000766616996 577171464 /nfs/dbraw/zinc/17/14/64/577171464.db2.gz MSSDBLKSAOZZAL-SJORKVTESA-N -1 3 349.390 2.937 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@@H](C)C2)ccc1F ZINC000767530140 577211851 /nfs/dbraw/zinc/21/18/51/577211851.db2.gz XONIWZQBHPGVPK-DGCLKSJQSA-N -1 3 341.404 2.635 10 30 EFEEHM COC(=O)c1ccc([O-])c(CN=Nc2c(F)c(F)nc(F)c2F)c1 ZINC000726736233 577381859 /nfs/dbraw/zinc/38/18/59/577381859.db2.gz FRSBUGOUUTUXAI-UHFFFAOYSA-N -1 3 343.236 2.576 10 30 EFEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1ccc(C)nc1 ZINC000773979845 581476539 /nfs/dbraw/zinc/47/65/39/581476539.db2.gz LKCUOWLPKUFRQX-KVPUOBJLSA-N -1 3 335.363 2.759 10 30 EFEEHM Cn1[n-]ccc1=NN=Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000774408506 581490949 /nfs/dbraw/zinc/49/09/49/581490949.db2.gz BYFSYFQKDUQNGZ-UHFFFAOYSA-N -1 3 336.443 2.830 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCCOc2ccc(Br)cc21 ZINC000774414313 581491062 /nfs/dbraw/zinc/49/10/62/581491062.db2.gz GEDOXGKFFHQTRH-UHFFFAOYSA-N -1 3 335.205 2.593 10 30 EFEEHM C=CCC1(C(=O)N[C@@H](CC)CNC(=O)c2ccccc2[O-])CCC1 ZINC001746113156 1251528209 /nfs/dbraw/zinc/52/82/09/1251528209.db2.gz FWMRJLOAWWFCOH-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C#CCC1(NC(=O)NCc2ccc([O-])c(Br)c2)CCC1 ZINC000921528264 1257022434 /nfs/dbraw/zinc/02/24/34/1257022434.db2.gz RQZOHXQEHJKTSM-UHFFFAOYSA-N -1 3 337.217 2.900 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)CC1 ZINC001671401689 1258895628 /nfs/dbraw/zinc/89/56/28/1258895628.db2.gz ZOVOPCQWKUCWME-NRFANRHFSA-N -1 3 348.534 2.998 10 30 EFEEHM C=C(C)CCC(=O)N1CCCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001487382281 1261794159 /nfs/dbraw/zinc/79/41/59/1261794159.db2.gz SBYLWLAWVUDCFB-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM COc1ccccc1[C@]1(C)C[C@@H]1/N=C\c1c([O-])c(C)ncc1CO ZINC000741464018 1269540298 /nfs/dbraw/zinc/54/02/98/1269540298.db2.gz JYMKYCUFTOTEPT-GWAZDFRLSA-N -1 3 326.396 2.746 10 30 EFEEHM N#Cc1cccnc1NCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC000792084505 1278559260 /nfs/dbraw/zinc/55/92/60/1278559260.db2.gz NBSVNMVSHFVAAR-UHFFFAOYSA-N -1 3 332.363 2.654 10 30 EFEEHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc4cc[nH]cc-4n3)on2)c1 ZINC000790006244 1277164704 /nfs/dbraw/zinc/16/47/04/1277164704.db2.gz XGOYZLLFUOJHDA-UHFFFAOYSA-N -1 3 330.307 2.737 10 30 EFEEHM Cn1cc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(Cl)n1 ZINC000845843226 1279890658 /nfs/dbraw/zinc/89/06/58/1279890658.db2.gz KPVKVJOGGHOTIY-AWEZNQCLSA-N -1 3 341.798 2.626 10 30 EFEEHM Cn1cc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(Cl)n1 ZINC000845843226 1279890668 /nfs/dbraw/zinc/89/06/68/1279890668.db2.gz KPVKVJOGGHOTIY-AWEZNQCLSA-N -1 3 341.798 2.626 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000804453541 1280215812 /nfs/dbraw/zinc/21/58/12/1280215812.db2.gz ZEQJAENAZSMTSN-MRXNPFEDSA-N -1 3 330.387 2.893 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000805149251 1280460403 /nfs/dbraw/zinc/46/04/03/1280460403.db2.gz ZRISSAZGZYSOBJ-LBPRGKRZSA-N -1 3 330.793 2.574 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872502975 1287627293 /nfs/dbraw/zinc/62/72/93/1287627293.db2.gz CHNIUAOFMXMNFI-MTJIALIYSA-N -1 3 336.523 2.852 10 30 EFEEHM CN(C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1)C(C)(C)C#N ZINC000811394525 1284282852 /nfs/dbraw/zinc/28/28/52/1284282852.db2.gz DXWFFXGAZRVDDT-UHFFFAOYSA-N -1 3 339.804 2.800 10 30 EFEEHM Cc1ncc(CO)c(C=NNc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000812461248 1285157529 /nfs/dbraw/zinc/15/75/29/1285157529.db2.gz MAZXSRZTQVNKNI-UHFFFAOYSA-N -1 3 341.289 2.933 10 30 EFEEHM CCc1nc(C)c(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)o1 ZINC000814067876 1286283903 /nfs/dbraw/zinc/28/39/03/1286283903.db2.gz BUOBEICYQUWWHY-UHFFFAOYSA-N -1 3 343.383 2.811 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCC[C@@H]1[C@H]1CCOC1 ZINC000814816672 1287048469 /nfs/dbraw/zinc/04/84/69/1287048469.db2.gz QUVYHXYTHZRQFW-JKSUJKDBSA-N -1 3 336.457 2.689 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3cc(C#N)oc3C)nc21 ZINC001134753461 1287171586 /nfs/dbraw/zinc/17/15/86/1287171586.db2.gz NAVVLIXBJQEGJG-UHFFFAOYSA-N -1 3 338.323 2.765 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)cc3)nc21 ZINC001134753852 1287173150 /nfs/dbraw/zinc/17/31/50/1287173150.db2.gz ZEYKCQYYIYDRCN-UHFFFAOYSA-N -1 3 334.335 2.864 10 30 EFEEHM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816694004 1288247752 /nfs/dbraw/zinc/24/77/52/1288247752.db2.gz WTOILUPKUUKENL-XCBNKYQSSA-N -1 3 349.239 2.580 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2sc3ccccc3c2s1 ZINC000816695558 1288247889 /nfs/dbraw/zinc/24/78/89/1288247889.db2.gz FQKOTOALMFQFEP-SECBINFHSA-N -1 3 332.406 2.836 10 30 EFEEHM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816694585 1288248149 /nfs/dbraw/zinc/24/81/49/1288248149.db2.gz JCNFORNAPJFVIW-LBPRGKRZSA-N -1 3 346.408 2.534 10 30 EFEEHM Cc1cccc(Nc2ccccc2C(=O)N[C@@H]2CCN([O-])C2=O)c1C ZINC000816694171 1288248324 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H](F)C(F)(F)F ZINC000800119695 1293923000 /nfs/dbraw/zinc/92/30/00/1293923000.db2.gz DBPITZKAGAUKAQ-LLVKDONJSA-N -1 3 334.269 2.652 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001488146168 1296324873 /nfs/dbraw/zinc/32/48/73/1296324873.db2.gz CRJLWSPAUFLXHR-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CO)c1ccc(F)cc1 ZINC001412998732 1296632997 /nfs/dbraw/zinc/63/29/97/1296632997.db2.gz BYAZVWQZDTXIGB-OAHLLOKOSA-N -1 3 334.297 2.639 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000854004927 1300386218 /nfs/dbraw/zinc/38/62/18/1300386218.db2.gz LMCRROAJINZUBS-UWVGGRQHSA-N -1 3 331.342 2.758 10 30 EFEEHM O=C(Cc1ccc(C2CCCCC2)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000854648662 1300651431 /nfs/dbraw/zinc/65/14/31/1300651431.db2.gz HMLLZHNSERBKCO-QGZVFWFLSA-N -1 3 330.428 2.773 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000859253339 1301410234 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C=CCSCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866647824 1303729971 /nfs/dbraw/zinc/72/99/71/1303729971.db2.gz VHGWAOSNHDQTSW-UHFFFAOYSA-N -1 3 349.890 2.542 10 30 EFEEHM N#Cc1ccc(C2([N-]S(=O)(=O)c3ccc(F)nc3F)CCC2)cc1 ZINC000867485754 1303829801 /nfs/dbraw/zinc/82/98/01/1303829801.db2.gz DJVHOZDWQNUQRU-UHFFFAOYSA-N -1 3 349.362 2.589 10 30 EFEEHM C=CCCC[C@H](C(=O)Nc1n[n-]c(CC(=O)OC)n1)c1ccccc1 ZINC000900739007 1308611848 /nfs/dbraw/zinc/61/18/48/1308611848.db2.gz LIVQGFGLSHGKJY-AWEZNQCLSA-N -1 3 342.399 2.599 10 30 EFEEHM O=C(C[C@H]1CCC2(CCOCC2)CO1)N([O-])Cc1ccc(F)cc1 ZINC000901372818 1310256639 /nfs/dbraw/zinc/25/66/39/1310256639.db2.gz NDTQTDDYQDDEOT-MRXNPFEDSA-N -1 3 337.391 2.909 10 30 EFEEHM C=CCC[C@H](NCc1nnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC000901689993 1310889640 /nfs/dbraw/zinc/88/96/40/1310889640.db2.gz ISQAHHAFVSFNEH-HNNXBMFYSA-N -1 3 326.400 2.654 10 30 EFEEHM Cc1cc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)ccc1Cl ZINC000901770888 1311023948 /nfs/dbraw/zinc/02/39/48/1311023948.db2.gz DKFSTRZWVIOSHM-SNVBAGLBSA-N -1 3 326.727 2.771 10 30 EFEEHM Cc1cc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)ccc1Cl ZINC000901770887 1311024017 /nfs/dbraw/zinc/02/40/17/1311024017.db2.gz DKFSTRZWVIOSHM-JTQLQIEISA-N -1 3 326.727 2.771 10 30 EFEEHM C=CCn1ncc2ccc([N-]S(=O)(=O)CCOCC3CCC3)cc21 ZINC000901953466 1311233990 /nfs/dbraw/zinc/23/39/90/1311233990.db2.gz DUQSNDHWUDEUGF-UHFFFAOYSA-N -1 3 349.456 2.781 10 30 EFEEHM CCn1cc(-c2n[nH]cc2C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001161807247 1311978245 /nfs/dbraw/zinc/97/82/45/1311978245.db2.gz GGVIDFJZYUBSAB-UHFFFAOYSA-N -1 3 345.790 2.978 10 30 EFEEHM CCCCN([O-])C(=O)COc1ccc(I)cc1 ZINC001161826852 1311982158 /nfs/dbraw/zinc/98/21/58/1311982158.db2.gz NGMFMODXBSLVEG-UHFFFAOYSA-N -1 3 349.168 2.688 10 30 EFEEHM Cc1cc(C(=O)N([O-])Cc2cccc3ccccc32)ncc1C(N)=O ZINC001161842592 1311985210 /nfs/dbraw/zinc/98/52/10/1311985210.db2.gz JGHTZMACQGWHOZ-UHFFFAOYSA-N -1 3 335.363 2.674 10 30 EFEEHM C=CCC1(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])CCC1 ZINC001285209459 1320766093 /nfs/dbraw/zinc/76/60/93/1320766093.db2.gz WDJWFQXAWRZVPZ-AWEZNQCLSA-N -1 3 330.428 2.621 10 30 EFEEHM CC[C@H](C[N-]C(=O)C(F)F)NCc1c(F)c(F)c(F)c(F)c1F ZINC001318494140 1328618636 /nfs/dbraw/zinc/61/86/36/1328618636.db2.gz LITCIGZMFQJDBG-RXMQYKEDSA-N -1 3 346.246 2.632 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001299643203 1316313829 /nfs/dbraw/zinc/31/38/29/1316313829.db2.gz WPUYCGCRSWYMRZ-PMACEKPBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001299675502 1316340173 /nfs/dbraw/zinc/34/01/73/1316340173.db2.gz UKADQOWIKNIXFA-HZMBPMFUSA-N -1 3 332.787 2.502 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)C[C@H](C)C(C)(C)C ZINC001262956933 1316508423 /nfs/dbraw/zinc/50/84/23/1316508423.db2.gz CMERRWRGPKBKFM-LBPRGKRZSA-N -1 3 330.436 2.745 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001280663942 1317685532 /nfs/dbraw/zinc/68/55/32/1317685532.db2.gz HUEJXUBUXLLUPP-MRXNPFEDSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC1(C(=O)N[C@H]2C[C@@H](C)N(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001281160637 1318048454 /nfs/dbraw/zinc/04/84/54/1318048454.db2.gz UTWWTXYBWSIZTM-CABCVRRESA-N -1 3 342.439 2.858 10 30 EFEEHM CC[C@@H]1[C@@H](NC(=O)c2ccccc2[O-])CCN1C(=O)C#CC(C)(C)C ZINC001282244020 1318802881 /nfs/dbraw/zinc/80/28/81/1318802881.db2.gz YNCNIBDIKOEXHI-JKSUJKDBSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CCC1(C(=O)NCCCNC(=O)c2ccccc2[O-])CCCC1 ZINC001283184899 1319408620 /nfs/dbraw/zinc/40/86/20/1319408620.db2.gz BNJVROQDELSYCV-UHFFFAOYSA-N -1 3 330.428 2.765 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001283366956 1319602642 /nfs/dbraw/zinc/60/26/42/1319602642.db2.gz HNQWYSZQNAVDHX-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N(C)CCCNC(=O)c1ccccc1[O-] ZINC001283496534 1319761235 /nfs/dbraw/zinc/76/12/35/1319761235.db2.gz JVSBOURIPKKQFC-UHFFFAOYSA-N -1 3 338.835 2.749 10 30 EFEEHM C#CCCCCC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001285131958 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2.599 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001289933628 1321838645 /nfs/dbraw/zinc/83/86/45/1321838645.db2.gz LMKZEJHSHXLMOY-GJZGRUSLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001289933627 1321838918 /nfs/dbraw/zinc/83/89/18/1321838918.db2.gz LMKZEJHSHXLMOY-CABCVRRESA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001290283215 1321894755 /nfs/dbraw/zinc/89/47/55/1321894755.db2.gz UTHPPGQHFWYCSC-CABCVRRESA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001293631862 1322303314 /nfs/dbraw/zinc/30/33/14/1322303314.db2.gz YVPURXMMWHWWSW-HUUCEWRRSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001293631859 1322303625 /nfs/dbraw/zinc/30/36/25/1322303625.db2.gz YVPURXMMWHWWSW-CABCVRRESA-N -1 3 330.428 2.667 10 30 EFEEHM C#CCOc1ccc(F)cc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001294180944 1322426057 /nfs/dbraw/zinc/42/60/57/1322426057.db2.gz RRPKMKZDMDEUSD-UHFFFAOYSA-N -1 3 327.311 2.998 10 30 EFEEHM C=C1CCC(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001294863541 1322583751 /nfs/dbraw/zinc/58/37/51/1322583751.db2.gz XANJPYCBVUYXDY-KRWDZBQOSA-N -1 3 342.439 2.763 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001294927105 1322600890 /nfs/dbraw/zinc/60/08/90/1322600890.db2.gz YWZRNUXMJHNTFU-XJKSGUPXSA-N -1 3 330.428 2.619 10 30 EFEEHM CC(C)N(CCCNC(=O)C#CC(C)(C)C)C(=O)c1ccccc1[O-] ZINC001296700271 1322983122 /nfs/dbraw/zinc/98/31/22/1322983122.db2.gz SLKYIMJYGBOWPQ-UHFFFAOYSA-N -1 3 344.455 2.799 10 30 EFEEHM C=CCCC(=O)N(C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001296877206 1323044195 /nfs/dbraw/zinc/04/41/95/1323044195.db2.gz GRXRZCVUSUWOAK-UHFFFAOYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=CCC1(C(=O)NCC2CN(C(=O)c3ccccc3[O-])C2)CCCC1 ZINC001297234484 1323130363 /nfs/dbraw/zinc/13/03/63/1323130363.db2.gz AOWNSMMPUCRGLL-UHFFFAOYSA-N -1 3 342.439 2.717 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(SCc2ccccc2)cc1 ZINC001298426331 1323523953 /nfs/dbraw/zinc/52/39/53/1323523953.db2.gz OYKOANHXGWNPAS-INIZCTEOSA-N -1 3 342.420 2.699 10 30 EFEEHM N#Cc1cc(Br)ccc1CC(=O)[N-]OC/C=C/Cl ZINC001298867899 1323625160 /nfs/dbraw/zinc/62/51/60/1323625160.db2.gz AYZDEPSMAYCDLO-DAFODLJHSA-N -1 3 329.581 2.664 10 30 EFEEHM C#CC[C@H](COC)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001301822274 1324561499 /nfs/dbraw/zinc/56/14/99/1324561499.db2.gz GLWOJHCBTDBZLO-GOSISDBHSA-N -1 3 337.419 2.946 10 30 EFEEHM C#CCOc1ccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC001331963735 1330898321 /nfs/dbraw/zinc/89/83/21/1330898321.db2.gz RLXVZTUGCHEOKM-KGLIPLIRSA-N -1 3 341.329 2.784 10 30 EFEEHM C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)N1CC#N ZINC001333717605 1331200641 /nfs/dbraw/zinc/20/06/41/1331200641.db2.gz AGQNFESEAWLZHO-RYUDHWBXSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001335604927 1331380259 /nfs/dbraw/zinc/38/02/59/1331380259.db2.gz LJPVDNUEQUCCIN-HDJSIYSDSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336966403 1331521886 /nfs/dbraw/zinc/52/18/86/1331521886.db2.gz KXMHLRPPWDJRIC-OXQOHEQNSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001339370450 1331850060 /nfs/dbraw/zinc/85/00/60/1331850060.db2.gz GLEQVGQLSFURDZ-HNNXBMFYSA-N -1 3 342.439 2.883 10 30 EFEEHM C#CCCCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001339654947 1331921714 /nfs/dbraw/zinc/92/17/14/1331921714.db2.gz KNWPCCRAKZOPRU-JKSUJKDBSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001339705932 1331937514 /nfs/dbraw/zinc/93/75/14/1331937514.db2.gz XTPQTKVYOFCJIP-LSDHHAIUSA-N -1 3 330.428 2.858 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339741822 1331947951 /nfs/dbraw/zinc/94/79/51/1331947951.db2.gz FZXQSPFJKJQAKM-CVEARBPZSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001339785470 1331958523 /nfs/dbraw/zinc/95/85/23/1331958523.db2.gz UYNCOSMIXKCKGQ-GJZGRUSLSA-N -1 3 330.428 2.599 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(CCC1CC1)CC1CC1 ZINC001340502050 1332197467 /nfs/dbraw/zinc/19/74/67/1332197467.db2.gz PYZJFUNBJJRKAL-UHFFFAOYSA-N -1 3 329.404 2.841 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001345180533 1332517640 /nfs/dbraw/zinc/51/76/40/1332517640.db2.gz XBDLTJVWARRBBN-OAHLLOKOSA-N -1 3 330.428 2.859 10 30 EFEEHM Cn1cnc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC001345207686 1332522133 /nfs/dbraw/zinc/52/21/33/1332522133.db2.gz NIBHYHHUTCSSIP-LMVHVUTASA-N -1 3 339.420 2.965 10 30 EFEEHM Cn1cnc(C=CC([O-])=C(C#N)C(=O)c2cc3c(s2)CCCC3)c1 ZINC001345207688 1332522143 /nfs/dbraw/zinc/52/21/43/1332522143.db2.gz NIBHYHHUTCSSIP-UZYOAWRESA-N -1 3 339.420 2.965 10 30 EFEEHM C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)N1CC#N ZINC001350329753 1333065167 /nfs/dbraw/zinc/06/51/67/1333065167.db2.gz MOSPDRLCKGJWTG-TXEJJXNPSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001350688675 1333115207 /nfs/dbraw/zinc/11/52/07/1333115207.db2.gz MSADMBPFOKZHEQ-INIZCTEOSA-N -1 3 342.439 2.834 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1C1CCC1 ZINC001352094402 1333383409 /nfs/dbraw/zinc/38/34/09/1333383409.db2.gz XPBCSUBTWODUBW-NSHDSACASA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1C1CCC1 ZINC001352094402 1333383411 /nfs/dbraw/zinc/38/34/11/1333383411.db2.gz XPBCSUBTWODUBW-NSHDSACASA-N -1 3 333.827 2.672 10 30 EFEEHM CC(C)(C)C#CC(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001352436895 1333536266 /nfs/dbraw/zinc/53/62/66/1333536266.db2.gz OZOIQKAVACWHCR-UHFFFAOYSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001353203024 1334009888 /nfs/dbraw/zinc/00/98/88/1334009888.db2.gz GKURLVVARXDQHX-KXBFYZLASA-N -1 3 330.428 2.619 10 30 EFEEHM CC[C@H](C)CO[N-]C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000848120238 1334325533 /nfs/dbraw/zinc/32/55/33/1334325533.db2.gz BOLLTQYKMACKKB-AWEZNQCLSA-N -1 3 338.448 2.731 10 30 EFEEHM Cc1c(Cl)cnc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1C#N ZINC001472867953 1334578290 /nfs/dbraw/zinc/57/82/90/1334578290.db2.gz VQURKCZUVXHCJH-UHFFFAOYSA-N -1 3 327.775 2.808 10 30 EFEEHM N#Cc1ccc(C2(NC(=O)c3cc4c(cc3[O-])OCO4)CCC2)cc1 ZINC000848316990 1334627681 /nfs/dbraw/zinc/62/76/81/1334627681.db2.gz GXWWYROVOMBBBE-UHFFFAOYSA-N -1 3 336.347 2.802 10 30 EFEEHM C=CCCn1cc(COC(=O)CCCc2ccc([O-])c(F)c2)nn1 ZINC000848745080 1334872249 /nfs/dbraw/zinc/87/22/49/1334872249.db2.gz HNKIEKSIGOSAQU-UHFFFAOYSA-N -1 3 333.363 2.765 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC(C)(C)C[C@H]1C ZINC001355978455 1334923322 /nfs/dbraw/zinc/92/33/22/1334923322.db2.gz WESOJLWNHGDSKM-SNVBAGLBSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC(C)(C)C[C@H]1C ZINC001355978455 1334923324 /nfs/dbraw/zinc/92/33/24/1334923324.db2.gz WESOJLWNHGDSKM-SNVBAGLBSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703386 1335114219 /nfs/dbraw/zinc/11/42/19/1335114219.db2.gz JYJZFDWWCXGSPV-MGPUTAFESA-N -1 3 344.455 2.915 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001356717200 1335120751 /nfs/dbraw/zinc/12/07/51/1335120751.db2.gz OLVZXLZQFHZGPJ-JKSUJKDBSA-N -1 3 344.455 2.915 10 30 EFEEHM CN(CCC#N)c1ccc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000849231337 1335573026 /nfs/dbraw/zinc/57/30/26/1335573026.db2.gz ZXSPVUMSOLGTHN-SFHVURJKSA-N -1 3 338.411 2.737 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000849412185 1335610009 /nfs/dbraw/zinc/61/00/09/1335610009.db2.gz HOGNCWADEAFXFQ-RYUDHWBXSA-N -1 3 331.869 2.795 10 30 EFEEHM Cn1cc(C#N)c([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 ZINC001361160749 1335956593 /nfs/dbraw/zinc/95/65/93/1335956593.db2.gz OZHLNTREXOBLQI-UHFFFAOYSA-N -1 3 348.322 2.514 10 30 EFEEHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)Nc1ccccc1 ZINC001361822600 1336359291 /nfs/dbraw/zinc/35/92/91/1336359291.db2.gz ICSRQEVOLFGOKM-LBPRGKRZSA-N -1 3 343.333 2.793 10 30 EFEEHM CC[C@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001362937613 1336759329 /nfs/dbraw/zinc/75/93/29/1336759329.db2.gz QUVKYLQTEFSZHQ-SMDDNHRTSA-N -1 3 338.354 2.744 10 30 EFEEHM CCC(O)(CC)C(C)(C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001363629690 1336962455 /nfs/dbraw/zinc/96/24/55/1336962455.db2.gz YMNWNTZEVGXPSZ-UHFFFAOYSA-N -1 3 347.459 2.654 10 30 EFEEHM N#CCc1cccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c1 ZINC001363672327 1336985672 /nfs/dbraw/zinc/98/56/72/1336985672.db2.gz QVPRUTOXKBDSHY-KOMQPUFPSA-N -1 3 336.395 2.704 10 30 EFEEHM C[C@@H](NCc1cc(F)ccc1C#N)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001368862269 1339797736 /nfs/dbraw/zinc/79/77/36/1339797736.db2.gz VEAXRZRFRKJGRY-CHWSQXEVSA-N -1 3 341.386 2.700 10 30 EFEEHM C[C@@H](NCc1cc(F)ccc1C#N)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001368862270 1339797953 /nfs/dbraw/zinc/79/79/53/1339797953.db2.gz VEAXRZRFRKJGRY-OLZOCXBDSA-N -1 3 341.386 2.700 10 30 EFEEHM C[C@@H](NC(=O)c1ccccc1[O-])[C@H](C)NCc1cc(F)ccc1C#N ZINC001368862271 1339798060 /nfs/dbraw/zinc/79/80/60/1339798060.db2.gz VEAXRZRFRKJGRY-QWHCGFSZSA-N -1 3 341.386 2.700 10 30 EFEEHM C[C@H](NCc1cc(F)ccc1C#N)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001368862272 1339798067 /nfs/dbraw/zinc/79/80/67/1339798067.db2.gz VEAXRZRFRKJGRY-STQMWFEESA-N -1 3 341.386 2.700 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H](CC)CNC(=O)c1ccccc1[O-] ZINC001416179326 1371887399 /nfs/dbraw/zinc/88/73/99/1371887399.db2.gz CSFORGHHIDVJEU-GFCCVEGCSA-N -1 3 338.835 2.796 10 30 EFEEHM COC(=O)c1coc(C(=O)[N-]c2nc3c(cc2C#N)C[C@@H](C)CC3)c1 ZINC001440103325 1389388063 /nfs/dbraw/zinc/38/80/63/1389388063.db2.gz QICKJMQCUSKXON-JTQLQIEISA-N -1 3 339.351 2.710 10 30 EFEEHM C=CCC[C@H]1CCCN1C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001456718042 1394779256 /nfs/dbraw/zinc/77/92/56/1394779256.db2.gz GEWQUCLLYSBMMV-HNNXBMFYSA-N -1 3 330.428 2.778 10 30 EFEEHM CCCCN([O-])C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001458025956 1395397725 /nfs/dbraw/zinc/39/77/25/1395397725.db2.gz XCNGHBIFRMFBRW-ZDUSSCGKSA-N -1 3 327.425 2.982 10 30 EFEEHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OCC)C1CCCCCC1 ZINC001463977883 1396535549 /nfs/dbraw/zinc/53/55/49/1396535549.db2.gz RANHKGNADQJIOB-OAHLLOKOSA-N -1 3 331.478 2.774 10 30 EFEEHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1nnc2ccccn21 ZINC001463996251 1396537359 /nfs/dbraw/zinc/53/73/59/1396537359.db2.gz PCFJLPCHYLNFKJ-LLVKDONJSA-N -1 3 341.321 2.570 10 30 EFEEHM O=C(NO)c1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cc1 ZINC001467528034 1396866174 /nfs/dbraw/zinc/86/61/74/1396866174.db2.gz LHGYJAZTRWBKPN-UHFFFAOYSA-N -1 3 342.376 2.656 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001475646660 1397444721 /nfs/dbraw/zinc/44/47/21/1397444721.db2.gz UTOBGYDZOAATTG-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=CCN(CCc1ccco1)C(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001546209976 1397483969 /nfs/dbraw/zinc/48/39/69/1397483969.db2.gz IJYWMBIXZNREIN-UHFFFAOYSA-N -1 3 340.379 2.981 10 30 EFEEHM C=CCC1(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)CCC1 ZINC001493485666 1398730470 /nfs/dbraw/zinc/73/04/70/1398730470.db2.gz ZRRPPMSEPDUFMO-MRXNPFEDSA-N -1 3 342.439 2.763 10 30 EFEEHM C=C(C)CCC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001498833222 1402323503 /nfs/dbraw/zinc/32/35/03/1402323503.db2.gz WHIGLHUPNWCHSI-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C(C)CCC(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001499584846 1402700804 /nfs/dbraw/zinc/70/08/04/1402700804.db2.gz FNOSIYBVNDLLNA-LJQANCHMSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCC1(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001500090775 1402933622 /nfs/dbraw/zinc/93/36/22/1402933622.db2.gz YSACSHOAPAWRPX-CQSZACIVSA-N -1 3 330.428 2.621 10 30 EFEEHM C#CCCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001500650178 1403267477 /nfs/dbraw/zinc/26/74/77/1403267477.db2.gz LIIIYZYKZCZCCL-RDJZCZTQSA-N -1 3 342.439 2.553 10 30 EFEEHM C#CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001505567673 1404786560 /nfs/dbraw/zinc/78/65/60/1404786560.db2.gz SAPFIUUFHCLFKA-NVXWUHKLSA-N -1 3 342.439 2.553 10 30 EFEEHM C#CCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)C(C)(C)C)CC1 ZINC001506344747 1405679779 /nfs/dbraw/zinc/67/97/79/1405679779.db2.gz DPWNCHGRQCARFP-UHFFFAOYSA-N -1 3 342.439 2.505 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001506611470 1406042284 /nfs/dbraw/zinc/04/22/84/1406042284.db2.gz RYMNQACJBCGDEG-QRWLVFNGSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001509758649 1408102597 /nfs/dbraw/zinc/10/25/97/1408102597.db2.gz VGISZMQZZQHSCV-KGLIPLIRSA-N -1 3 330.428 2.762 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001510395476 1412662595 /nfs/dbraw/zinc/66/25/95/1412662595.db2.gz ZGJQRFXMVLDLSB-OAHLLOKOSA-N -1 3 330.428 2.571 10 30 EFEEHM C#CCCCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511217134 1412920883 /nfs/dbraw/zinc/92/08/83/1412920883.db2.gz YXKJRJWLLHXQSU-CVEARBPZSA-N -1 3 342.439 2.695 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511217147 1412920992 /nfs/dbraw/zinc/92/09/92/1412920992.db2.gz YXKJRJWLLHXQSU-JKSUJKDBSA-N -1 3 342.439 2.695 10 30 EFEEHM C#CCCCC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001511688199 1413075525 /nfs/dbraw/zinc/07/55/25/1413075525.db2.gz LNCQTKCXJILVJF-UHFFFAOYSA-N -1 3 330.428 2.505 10 30 EFEEHM C#C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Br)cc1 ZINC001556781991 1415088092 /nfs/dbraw/zinc/08/80/92/1415088092.db2.gz TYKAWGJMAJPJGT-CQSZACIVSA-N -1 3 346.180 2.965 10 30 EFEEHM O=C(Cn1c(=O)oc2ccccc21)N([O-])Cc1ccccc1Cl ZINC001559033457 1415219846 /nfs/dbraw/zinc/21/98/46/1415219846.db2.gz JDTPOEJPMAPGGI-UHFFFAOYSA-N -1 3 332.743 2.666 10 30 EFEEHM CS(=O)(=O)c1cc(C(=O)N([O-])Cc2cccc3ccccc32)co1 ZINC001559036539 1415220142 /nfs/dbraw/zinc/22/01/42/1415220142.db2.gz MYMKFSLVTZWAKC-UHFFFAOYSA-N -1 3 345.376 2.868 10 30 EFEEHM Cc1cc(F)ccc1-n1cc(C(=O)N([O-])Cc2ccc(F)cc2)nn1 ZINC001559037452 1415220851 /nfs/dbraw/zinc/22/08/51/1415220851.db2.gz XNQPRPULWUFWGL-UHFFFAOYSA-N -1 3 344.321 2.886 10 30 EFEEHM C=C(C)COCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001561369973 1415314416 /nfs/dbraw/zinc/31/44/16/1415314416.db2.gz XAJOMMYIDIRXHD-UHFFFAOYSA-N -1 3 346.861 2.821 10 30 EFEEHM C=CCCOCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001561442583 1415315847 /nfs/dbraw/zinc/31/58/47/1415315847.db2.gz QTCWFXIRBCKSLF-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM C#CCCCCCC(=O)NC[C@@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001571856394 1415406114 /nfs/dbraw/zinc/40/61/14/1415406114.db2.gz CDMQIRLJDVKNPN-OAHLLOKOSA-N -1 3 330.428 2.553 10 30 EFEEHM C#CCCCC(=O)N1CCCCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001685138545 1416748548 /nfs/dbraw/zinc/74/85/48/1416748548.db2.gz IPLAQVOAKIVMLL-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)C[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001688557868 1416987853 /nfs/dbraw/zinc/98/78/53/1416987853.db2.gz KXDKNATXEFJFJS-HNNXBMFYSA-N -1 3 342.439 2.669 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001701316842 1417713175 /nfs/dbraw/zinc/71/31/75/1417713175.db2.gz GLYBRBLGHKBWGC-ORAYPTAESA-N -1 3 330.428 2.571 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001704360694 1417915860 /nfs/dbraw/zinc/91/58/60/1417915860.db2.gz NIZVLNBLOZHQGC-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCCC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001718120827 1422093425 /nfs/dbraw/zinc/09/34/25/1422093425.db2.gz VBPATNAMFRRSTI-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C#CCCCCC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001718120918 1422094340 /nfs/dbraw/zinc/09/43/40/1422094340.db2.gz YAHJLXKAWMRFLD-UHFFFAOYSA-N -1 3 344.455 2.800 10 30 EFEEHM C#CCC1(C(=O)NCCC[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001718375947 1422231925 /nfs/dbraw/zinc/23/19/25/1422231925.db2.gz QWRXTPNKTFGZBL-OAHLLOKOSA-N -1 3 342.439 2.601 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)[C@H](CNC(=O)c2ccccc2[O-])C2CC2)C1 ZINC001718517690 1422333071 /nfs/dbraw/zinc/33/30/71/1422333071.db2.gz KMRJMFAFIMTPSL-MRXNPFEDSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001719035415 1422647468 /nfs/dbraw/zinc/64/74/68/1422647468.db2.gz FEUFPLBUOLLHPR-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720573585 1423039056 /nfs/dbraw/zinc/03/90/56/1423039056.db2.gz SLCSPLKLHHLWBY-RDJZCZTQSA-N -1 3 342.439 2.551 10 30 EFEEHM C=C(C)CCC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001720990943 1423366873 /nfs/dbraw/zinc/36/68/73/1423366873.db2.gz DCAYWZYWBGEFOQ-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H]2[C@H](CCN2C(=O)c2ccccc2[O-])C1 ZINC001721720945 1423951346 /nfs/dbraw/zinc/95/13/46/1423951346.db2.gz FKLOGXYQVKQIKX-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001721739449 1423969687 /nfs/dbraw/zinc/96/96/87/1423969687.db2.gz JMEVPISBVJTPGQ-GOEBONIOSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCC1(C(=O)NC/C=C\CNC(=O)c2ccccc2[O-])CC1 ZINC001721797433 1423992033 /nfs/dbraw/zinc/99/20/33/1423992033.db2.gz XXIXRTWZAXNHEW-SREVYHEPSA-N -1 3 328.412 2.541 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001725878692 1425937819 /nfs/dbraw/zinc/93/78/19/1425937819.db2.gz DXOITUZOTQZUQA-WLYUNCDWSA-N -1 3 330.428 2.619 10 30 EFEEHM CC(C)C#CC(=O)N[C@H](CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001726046267 1426041423 /nfs/dbraw/zinc/04/14/23/1426041423.db2.gz XGANSKCHAPHBPT-QGZVFWFLSA-N -1 3 344.455 2.655 10 30 EFEEHM C=CCCCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000890811443 713498303 /nfs/dbraw/zinc/49/83/03/713498303.db2.gz FJJZIEDQUONKCI-MRXNPFEDSA-N -1 3 330.428 2.812 10 30 EFEEHM COc1cc(C(=O)/C=C\c2cnc3ccc(C#N)cn23)c(OC)cc1[O-] ZINC000255416962 715173244 /nfs/dbraw/zinc/17/32/44/715173244.db2.gz LKVBQYZXMMIRJN-PLNGDYQASA-N -1 3 349.346 2.825 10 30 EFEEHM COC[C@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(C)C ZINC000893455423 715578671 /nfs/dbraw/zinc/57/86/71/715578671.db2.gz QZJKXGFGYNMGNT-CQSZACIVSA-N -1 3 334.416 2.670 10 30 EFEEHM C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])CC1 ZINC000936439651 715603241 /nfs/dbraw/zinc/60/32/41/715603241.db2.gz HPGVKUNQEPYZPU-HOTGVXAUSA-N -1 3 340.423 2.564 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)c1 ZINC000178706420 715906969 /nfs/dbraw/zinc/90/69/69/715906969.db2.gz PDIQAYCJNDZVRC-CYBMUJFWSA-N -1 3 329.381 2.730 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)c1 ZINC000178706430 720560488 /nfs/dbraw/zinc/56/04/88/720560488.db2.gz PDIQAYCJNDZVRC-ZDUSSCGKSA-N -1 3 329.381 2.730 10 30 EFEEHM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc1 ZINC000888118805 725584771 /nfs/dbraw/zinc/58/47/71/725584771.db2.gz JADFKEPJVMKMSF-UHFFFAOYSA-N -1 3 343.383 2.721 10 30 EFEEHM C=CCOc1ccc(CC(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc1 ZINC000888118805 725584773 /nfs/dbraw/zinc/58/47/73/725584773.db2.gz JADFKEPJVMKMSF-UHFFFAOYSA-N -1 3 343.383 2.721 10 30 EFEEHM N#Cc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)c(F)c1 ZINC000731635272 726907814 /nfs/dbraw/zinc/90/78/14/726907814.db2.gz BSJRRVFJHGHJBB-UHFFFAOYSA-N -1 3 348.280 2.798 10 30 EFEEHM C/C=C/C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000907400329 726928569 /nfs/dbraw/zinc/92/85/69/726928569.db2.gz MJRYGXBDCULQAY-KQIUPUNMSA-N -1 3 336.338 2.664 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000908462019 727190370 /nfs/dbraw/zinc/19/03/70/727190370.db2.gz HUTFNKWDPRDMDV-UHFFFAOYSA-N -1 3 349.206 2.600 10 30 EFEEHM C=CCCC[C@@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908860218 727276996 /nfs/dbraw/zinc/27/69/96/727276996.db2.gz YMHRXWXEGMATFF-SJORKVTESA-N -1 3 347.459 2.706 10 30 EFEEHM C=C(C)CN1CCC(NC(=O)N[C@H](CCCC(C)C)C(=O)[O-])CC1 ZINC000908947842 727291390 /nfs/dbraw/zinc/29/13/90/727291390.db2.gz ZSWCBXQNFYNPIF-MRXNPFEDSA-N -1 3 339.480 2.606 10 30 EFEEHM CC(C)C(=O)[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000920554999 729199558 /nfs/dbraw/zinc/19/95/58/729199558.db2.gz PUULGZKNUITPPU-HNNXBMFYSA-N -1 3 334.441 2.566 10 30 EFEEHM C=CCC1(C(=O)NCC2CC(NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001571730274 1087098779 /nfs/dbraw/zinc/09/87/79/1087098779.db2.gz IXOHFYPDYZFJEO-UHFFFAOYSA-N -1 3 342.439 2.763 10 30 EFEEHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001571987678 1087246258 /nfs/dbraw/zinc/24/62/58/1087246258.db2.gz QUVSUTYEVXCTRM-RHSMWYFYSA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCCCC(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001572284914 1087425754 /nfs/dbraw/zinc/42/57/54/1087425754.db2.gz LHLODQUCZPOOAZ-OAHLLOKOSA-N -1 3 330.428 2.553 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572621164 1087567979 /nfs/dbraw/zinc/56/79/79/1087567979.db2.gz FJKJHHPTDLDCIE-CABCVRRESA-N -1 3 330.428 2.573 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001573064946 1087669546 /nfs/dbraw/zinc/66/95/46/1087669546.db2.gz PTFDTDMFAUOELP-BFYDXBDKSA-N -1 3 342.439 2.667 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@H]2CC[C@@H](NC(=O)c3ccccc3[O-])C2)C1 ZINC001573197044 1087707341 /nfs/dbraw/zinc/70/73/41/1087707341.db2.gz JPOLIVIQWYHDGV-LSDHHAIUSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC001646623546 1087944055 /nfs/dbraw/zinc/94/40/55/1087944055.db2.gz IAKMKMQMJSYRAD-XMMPIXPASA-N -1 3 344.371 2.950 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC001646623546 1087944071 /nfs/dbraw/zinc/94/40/71/1087944071.db2.gz IAKMKMQMJSYRAD-XMMPIXPASA-N -1 3 344.371 2.950 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC001646623546 1087944083 /nfs/dbraw/zinc/94/40/83/1087944083.db2.gz IAKMKMQMJSYRAD-XMMPIXPASA-N -1 3 344.371 2.950 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H]1CCOC[C@@H]1C(C)C ZINC001646899200 1088506816 /nfs/dbraw/zinc/50/68/16/1088506816.db2.gz IVPVUXHJNAKEQB-IAGOWNOFSA-N -1 3 346.427 2.813 10 30 EFEEHM COC(=O)c1cc(NC(=O)c2ccccc2CC#N)c([O-])c(OC)c1 ZINC001648304230 1089978534 /nfs/dbraw/zinc/97/85/34/1089978534.db2.gz OKLASTKXRXQYMI-UHFFFAOYSA-N -1 3 340.335 2.506 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001580210294 1090812420 /nfs/dbraw/zinc/81/24/20/1090812420.db2.gz ILYJIROTBRMXRN-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C#CCCCCC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001581775154 1091275967 /nfs/dbraw/zinc/27/59/67/1091275967.db2.gz INIJYYDRCSUXFZ-INIZCTEOSA-N -1 3 342.439 2.506 10 30 EFEEHM C=C(C)CCC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001582643252 1091599679 /nfs/dbraw/zinc/59/96/79/1091599679.db2.gz KYONAZQEWGFDLG-LJQANCHMSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001582978753 1091856430 /nfs/dbraw/zinc/85/64/30/1091856430.db2.gz OKDMNCXPNAYARO-UKRRQHHQSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCC1(C(=O)NC/C=C/CNC(=O)c2ccccc2[O-])CCC1 ZINC001583073820 1091892664 /nfs/dbraw/zinc/89/26/64/1091892664.db2.gz HKSJRPJYTSOAKP-AATRIKPKSA-N -1 3 328.412 2.541 10 30 EFEEHM C=CC(C)(C)C(=O)N1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001586141790 1092690227 /nfs/dbraw/zinc/69/02/27/1092690227.db2.gz OANURUXKECRNAQ-HXUWFJFHSA-N -1 3 344.455 2.963 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001649901666 1092775953 /nfs/dbraw/zinc/77/59/53/1092775953.db2.gz AOKMXLVOLXVQNM-DFBGVHRSSA-N -1 3 349.381 2.758 10 30 EFEEHM N#CCOc1cccc(OC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC001597184667 1094570552 /nfs/dbraw/zinc/57/05/52/1094570552.db2.gz WSBGCYLNZUYFLJ-UHFFFAOYSA-N -1 3 338.279 2.593 10 30 EFEEHM N#Cc1ccc(C(=O)[N-]c2nnc([C@H]3CCCO3)s2)nc1Cl ZINC001597525551 1094597136 /nfs/dbraw/zinc/59/71/36/1094597136.db2.gz TZLWPXTYHYZXTN-SECBINFHSA-N -1 3 335.776 2.562 10 30 EFEEHM CC(C)=C(C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611648975 1099025834 /nfs/dbraw/zinc/02/58/34/1099025834.db2.gz PSVHGHUZAGGCFJ-UHFFFAOYSA-N -1 3 330.384 2.637 10 30 EFEEHM O=C(C1CN(C(=O)C2CCCCC2)C1)N([O-])Cc1ccc(F)cc1 ZINC001611667226 1099028239 /nfs/dbraw/zinc/02/82/39/1099028239.db2.gz UDCJVEOSAARKBN-UHFFFAOYSA-N -1 3 334.391 2.582 10 30 EFEEHM N#Cc1cccc(Oc2ccnc(N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)n2)c1 ZINC001612561052 1099067369 /nfs/dbraw/zinc/06/73/69/1099067369.db2.gz KGTGKSAVNFSQGB-CYBMUJFWSA-N -1 3 348.366 2.563 10 30 EFEEHM C#CC(C)(C)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001617533151 1099244424 /nfs/dbraw/zinc/24/44/24/1099244424.db2.gz VZAIJVYMQHYMAN-UHFFFAOYSA-N -1 3 338.285 2.568 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1sc(Br)cc1C)C(C)C ZINC001622082120 1099475713 /nfs/dbraw/zinc/47/57/13/1099475713.db2.gz AXTPLQDIBVKCOX-VIFPVBQESA-N -1 3 336.276 2.755 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001622346883 1099504452 /nfs/dbraw/zinc/50/44/52/1099504452.db2.gz QVIJYNKPQRASIC-YPMHNXCESA-N -1 3 343.470 2.948 10 30 EFEEHM C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001624894461 1099744471 /nfs/dbraw/zinc/74/44/71/1099744471.db2.gz ZJOMYLPRDPIZMP-UHFFFAOYSA-N -1 3 328.343 2.628 10 30 EFEEHM C#C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC001625078271 1099767583 /nfs/dbraw/zinc/76/75/83/1099767583.db2.gz TZZVKOAKAVDXNJ-ZDUSSCGKSA-N -1 3 346.180 2.965 10 30 EFEEHM C#CCn1cc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])cn1 ZINC001626740483 1099911904 /nfs/dbraw/zinc/91/19/04/1099911904.db2.gz OBWTZBLDZKWWJI-UHFFFAOYSA-N -1 3 347.374 2.944 10 30 EFEEHM Cc1c(Br)ccc([O-])c1NC(=O)c1cc(C#N)ccn1 ZINC001628488384 1100106769 /nfs/dbraw/zinc/10/67/69/1100106769.db2.gz HAISPLMEXLTYRO-UHFFFAOYSA-N -1 3 332.157 2.982 10 30 EFEEHM C=CCO[C@@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001631482711 1100402580 /nfs/dbraw/zinc/40/25/80/1100402580.db2.gz GZJQVYNAFWVXIN-LLVKDONJSA-N -1 3 332.787 2.599 10 30 EFEEHM CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)[C@H]1CCC[C@@H]1C#N ZINC001631887505 1100437328 /nfs/dbraw/zinc/43/73/28/1100437328.db2.gz FDUCULZVOWAARY-YGRLFVJLSA-N -1 3 329.787 2.946 10 30 EFEEHM CC#CC[C@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001632078807 1100452064 /nfs/dbraw/zinc/45/20/64/1100452064.db2.gz RUPUUVXSKGZVPX-CQSZACIVSA-N -1 3 325.364 2.689 10 30 EFEEHM CC(C)n1ncc(C(=O)[N-]Oc2cccc(C#N)c2)c1Br ZINC001635511334 1100665499 /nfs/dbraw/zinc/66/54/99/1100665499.db2.gz YJEJRMNQJAASFK-UHFFFAOYSA-N -1 3 349.188 2.822 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001636353220 1100715244 /nfs/dbraw/zinc/71/52/44/1100715244.db2.gz UJJJVHCGQIKYRT-QLKUMGTLSA-N -1 3 346.383 2.534 10 30 EFEEHM C=CC(C)(C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001637101310 1100757090 /nfs/dbraw/zinc/75/70/90/1100757090.db2.gz LVCNMEQWJSTGSX-UHFFFAOYSA-N -1 3 335.201 2.985 10 30 EFEEHM C=C(C)CCNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC001637123669 1100758381 /nfs/dbraw/zinc/75/83/81/1100758381.db2.gz OVTAVPRLBUGVRZ-UHFFFAOYSA-N -1 3 329.356 2.637 10 30 EFEEHM C#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Cl)cc1 ZINC001637297257 1100771179 /nfs/dbraw/zinc/77/11/79/1100771179.db2.gz UVWWPPOTOFPWDB-ZDUSSCGKSA-N -1 3 329.739 2.879 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(Nc2ccccc2)c1 ZINC001637667893 1100797396 /nfs/dbraw/zinc/79/73/96/1100797396.db2.gz NVKZDUQFOMFKBL-MRXNPFEDSA-N -1 3 325.368 2.540 10 30 EFEEHM O=C(c1ccc(-n2ccnc2)nn1)N([O-])Cc1cccc2ccccc21 ZINC001639075097 1100910842 /nfs/dbraw/zinc/91/08/42/1100910842.db2.gz JMEZMJVGDIFKFE-UHFFFAOYSA-N -1 3 345.362 2.847 10 30 EFEEHM CCn1c(=O)[nH]c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cc21 ZINC001639078379 1100910859 /nfs/dbraw/zinc/91/08/59/1100910859.db2.gz ITHZZKNTXXNBOZ-UHFFFAOYSA-N -1 3 329.331 2.933 10 30 EFEEHM CNC(=O)c1cccc(C(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC001639075655 1100911066 /nfs/dbraw/zinc/91/10/66/1100911066.db2.gz UOEDCGAOXYAUNG-UHFFFAOYSA-N -1 3 335.363 2.626 10 30 EFEEHM C#C[C@](C)(CC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001640971384 1101092884 /nfs/dbraw/zinc/09/28/84/1101092884.db2.gz MFDCHLGMNMDIJO-MRXNPFEDSA-N -1 3 347.212 2.822 10 30 EFEEHM COc1coc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1=O ZINC001641847404 1101169515 /nfs/dbraw/zinc/16/95/15/1101169515.db2.gz DWGGTIILJQPKHJ-UHFFFAOYSA-N -1 3 344.150 2.987 10 30 EFEEHM N#Cc1cccc(-c2nc([N-]C(=O)c3cc(Cl)ncc3F)n[nH]2)c1 ZINC001641930102 1101176116 /nfs/dbraw/zinc/17/61/16/1101176116.db2.gz OBZKNJSOYCTCND-UHFFFAOYSA-N -1 3 342.721 2.783 10 30 EFEEHM C=CCCONC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001642533405 1101220599 /nfs/dbraw/zinc/22/05/99/1101220599.db2.gz AQTVOMYEUHXUJU-UHFFFAOYSA-N -1 3 337.173 2.528 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC001670578387 1101356048 /nfs/dbraw/zinc/35/60/48/1101356048.db2.gz OZXCJPHFIQAURK-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=CCC1(O)CN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC001651764236 1101379465 /nfs/dbraw/zinc/37/94/65/1101379465.db2.gz SWADZHUISZPJAI-UHFFFAOYSA-N -1 3 337.419 2.940 10 30 EFEEHM N#Cc1c[n-]n2c1nc(CN1CCC(c3ccccc3)CC1)cc2=O ZINC001653148017 1101590867 /nfs/dbraw/zinc/59/08/67/1101590867.db2.gz APQUORIXKJQHEQ-UHFFFAOYSA-N -1 3 333.395 2.686 10 30 EFEEHM C#C[C@@H](NC(=O)c1c([O-])cccc1O)c1ccc(Br)cc1 ZINC001654610316 1101739703 /nfs/dbraw/zinc/73/97/03/1101739703.db2.gz RCPRTAMAEQXNRW-GFCCVEGCSA-N -1 3 346.180 2.965 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1 ZINC001654821262 1101758529 /nfs/dbraw/zinc/75/85/29/1101758529.db2.gz BXZLJCIDQKFDSW-AEFFLSMTSA-N -1 3 346.427 2.765 10 30 EFEEHM O=C(NCC(=O)N([O-])CCCCc1ccccc1)c1ccc(F)cc1 ZINC001654817565 1101759231 /nfs/dbraw/zinc/75/92/31/1101759231.db2.gz OVKAWGMEYZGLLN-UHFFFAOYSA-N -1 3 344.386 2.796 10 30 EFEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001655397648 1101822614 /nfs/dbraw/zinc/82/26/14/1101822614.db2.gz UKKMSSFMOJDFEP-LBPRGKRZSA-N -1 3 339.310 2.805 10 30 EFEEHM Cn1ncc2c1nc(SCC#Cc1ccccc1Cl)[n-]c2=O ZINC001656732170 1102184665 /nfs/dbraw/zinc/18/46/65/1102184665.db2.gz HHWNBZISIDOIRX-UHFFFAOYSA-N -1 3 330.800 2.866 10 30 EFEEHM C=CCCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc2ccccc21 ZINC001656977582 1102279252 /nfs/dbraw/zinc/27/92/52/1102279252.db2.gz KKEUUIFLDFNHSX-QGZVFWFLSA-N -1 3 347.436 2.940 10 30 EFEEHM COc1ccc(C=C(C)C(=O)C(C#N)=C([O-])c2nccn2C)cc1F ZINC000588447910 1102634794 /nfs/dbraw/zinc/63/47/94/1102634794.db2.gz IVQBDMCSTGOUMI-BIRHUZIMSA-N -1 3 341.342 2.563 10 30 EFEEHM COc1ccc(C=C(C)C([O-])=C(C#N)C(=O)c2nccn2C)cc1F ZINC000588447910 1102634803 /nfs/dbraw/zinc/63/48/03/1102634803.db2.gz IVQBDMCSTGOUMI-BIRHUZIMSA-N -1 3 341.342 2.563 10 30 EFEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC001213590496 1102675062 /nfs/dbraw/zinc/67/50/62/1102675062.db2.gz XDBYANTVROCVFI-MGCOHNPYSA-N -1 3 348.287 2.981 10 30 EFEEHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC001661570998 1103323399 /nfs/dbraw/zinc/32/33/99/1103323399.db2.gz BAWACPMZNVNPRM-UHFFFAOYSA-N -1 3 329.393 2.555 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1)C(=O)OC ZINC001664237910 1104325102 /nfs/dbraw/zinc/32/51/02/1104325102.db2.gz UZPQSYZIGNPFNR-CQSZACIVSA-N -1 3 345.848 2.657 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001665221350 1104648814 /nfs/dbraw/zinc/64/88/14/1104648814.db2.gz CIFBMOAHIYPREQ-AWEZNQCLSA-N -1 3 345.848 2.657 10 30 EFEEHM C=C1CCC(C[N-]S(=O)(=O)c2cccc(Br)n2)CC1 ZINC001665406018 1104687768 /nfs/dbraw/zinc/68/77/68/1104687768.db2.gz BBCIJARUPVNAFQ-UHFFFAOYSA-N -1 3 345.262 2.869 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C\c1ccc(C)cc1)C(=O)OCC ZINC001665797153 1104785287 /nfs/dbraw/zinc/78/52/87/1104785287.db2.gz OSWCEMOIKPAESM-SNGWPZLWSA-N -1 3 337.441 2.783 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001677839414 1106904117 /nfs/dbraw/zinc/90/41/17/1106904117.db2.gz GBDDWFPHLXYEHD-SVGDTCPJSA-N -1 3 330.428 2.619 10 30 EFEEHM CCCC[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)c1ccccc1[O-] ZINC001678528649 1107176482 /nfs/dbraw/zinc/17/64/82/1107176482.db2.gz WXNBJJHLMVDQQY-HNNXBMFYSA-N -1 3 344.455 2.847 10 30 EFEEHM CC#CCCCC(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001679206053 1107452462 /nfs/dbraw/zinc/45/24/62/1107452462.db2.gz AKEVEASZMWDPFM-OAHLLOKOSA-N -1 3 330.428 2.601 10 30 EFEEHM NC(=O)[C@@H]1CC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC000904179014 1107672945 /nfs/dbraw/zinc/67/29/45/1107672945.db2.gz ZAXIWTITENVBPC-ZJUUUORDSA-N -1 3 331.199 2.613 10 30 EFEEHM CON1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904178793 1107673497 /nfs/dbraw/zinc/67/34/97/1107673497.db2.gz USONBNKIUIQPPW-UHFFFAOYSA-N -1 3 333.215 2.985 10 30 EFEEHM O=C([C@H]1CCc2nncn2CC1)N([O-])Cc1cccc2ccccc21 ZINC000904173740 1107691135 /nfs/dbraw/zinc/69/11/35/1107691135.db2.gz UDZQUCGCQAZIEF-HNNXBMFYSA-N -1 3 336.395 2.802 10 30 EFEEHM O=C(c1cnc2n1CCOC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178426 1107695666 /nfs/dbraw/zinc/69/56/66/1107695666.db2.gz JOUBREKSSJAMID-UHFFFAOYSA-N -1 3 342.182 2.752 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000904206777 1107697573 /nfs/dbraw/zinc/69/75/73/1107697573.db2.gz HTDMAYFUIUMIGG-CYBMUJFWSA-N -1 3 332.416 2.990 10 30 EFEEHM Cc1cn2c(n1)C[C@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904195842 1107707213 /nfs/dbraw/zinc/70/72/13/1107707213.db2.gz LQXITYGYABZYRB-QGZVFWFLSA-N -1 3 327.428 2.995 10 30 EFEEHM O=C([C@@H]1CCc2ncncc2C1)N([O-])CCCCc1ccccc1 ZINC000904196548 1107707703 /nfs/dbraw/zinc/70/77/03/1107707703.db2.gz XRTNXSLHOLPDBU-MRXNPFEDSA-N -1 3 325.412 2.822 10 30 EFEEHM COC(=O)c1ncoc1CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904196012 1107708768 /nfs/dbraw/zinc/70/87/68/1107708768.db2.gz MZKRGXAINUOEHA-UHFFFAOYSA-N -1 3 346.383 2.635 10 30 EFEEHM NC(=O)c1ccc(CCC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC000904196394 1107709087 /nfs/dbraw/zinc/70/90/87/1107709087.db2.gz ULPUCLRHKBBDJE-UHFFFAOYSA-N -1 3 340.423 2.959 10 30 EFEEHM O=C(C1CC1)N1CCC[C@H](C(=O)N([O-])CCCCc2ccccc2)C1 ZINC000904201385 1107713590 /nfs/dbraw/zinc/71/35/90/1107713590.db2.gz PXZMRHSKRZOGDI-SFHVURJKSA-N -1 3 344.455 2.876 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000904204714 1107717954 /nfs/dbraw/zinc/71/79/54/1107717954.db2.gz RLWAALXWVONOJF-AWEZNQCLSA-N -1 3 325.430 2.746 10 30 EFEEHM CCCCCCN([O-])C(=O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000904205362 1107720451 /nfs/dbraw/zinc/72/04/51/1107720451.db2.gz JPGAKYCNDRWLHB-UHFFFAOYSA-N -1 3 325.453 2.712 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001681419676 1108256268 /nfs/dbraw/zinc/25/62/68/1108256268.db2.gz KQHQBEXIIMCKHV-FQEVSTJZSA-N -1 3 342.439 2.883 10 30 EFEEHM CC(C)C#CC(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001681776874 1108415529 /nfs/dbraw/zinc/41/55/29/1108415529.db2.gz PHWGXVVCCMGFLY-MRXNPFEDSA-N -1 3 342.439 2.505 10 30 EFEEHM CCn1ccnc1C(C#N)=C([O-])c1cnn(CCC(F)(F)F)c1 ZINC001649248950 1108767415 /nfs/dbraw/zinc/76/74/15/1108767415.db2.gz OPGAGEUERBQFNP-NSHDSACASA-N -1 3 325.294 2.542 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C ZINC000899418809 1109313743 /nfs/dbraw/zinc/31/37/43/1109313743.db2.gz VAZULOAMHVMKPV-NZBMOFRJSA-N -1 3 327.428 2.617 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C ZINC000899418806 1109314241 /nfs/dbraw/zinc/31/42/41/1109314241.db2.gz VAZULOAMHVMKPV-CEFQPYBMSA-N -1 3 327.428 2.617 10 30 EFEEHM N#CCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000120958103 201082380 /nfs/dbraw/zinc/08/23/80/201082380.db2.gz MEJAHNLKRVYIFI-QGZVFWFLSA-N -1 3 349.390 2.702 10 30 EFEEHM C=CCCCNC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000279080907 201314553 /nfs/dbraw/zinc/31/45/53/201314553.db2.gz DZMQYBYETXIBRM-UHFFFAOYSA-N -1 3 331.416 2.719 10 30 EFEEHM C=CCc1cccc(C(C)C)c1NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000356816294 242079836 /nfs/dbraw/zinc/07/98/36/242079836.db2.gz DBJKKOWPCYISJL-UHFFFAOYSA-N -1 3 328.372 2.574 10 30 EFEEHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1cnc2ccccc2n1 ZINC000361542390 242224434 /nfs/dbraw/zinc/22/44/34/242224434.db2.gz YMISWBJCBJLKPG-OAHLLOKOSA-N -1 3 340.346 2.701 10 30 EFEEHM N#CC(=C([O-])c1cccc(OCC(N)=O)c1)c1nccc2ccccc21 ZINC000361519670 242225560 /nfs/dbraw/zinc/22/55/60/242225560.db2.gz PHMUWTUKJVWFFH-KRWDZBQOSA-N -1 3 345.358 2.589 10 30 EFEEHM C=CCOc1ccccc1CN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000414662316 244279980 /nfs/dbraw/zinc/27/99/80/244279980.db2.gz RIOVHCMKDMMYPF-CHWSQXEVSA-N -1 3 329.318 2.946 10 30 EFEEHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)cc2)c1OC ZINC000103501864 204082582 /nfs/dbraw/zinc/08/25/82/204082582.db2.gz DKYWIDPFQOXNDG-AWEZNQCLSA-N -1 3 342.326 2.804 10 30 EFEEHM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427278057 247332394 /nfs/dbraw/zinc/33/23/94/247332394.db2.gz VSGMSGUJNYONAG-UHFFFAOYSA-N -1 3 349.799 2.919 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1C#N ZINC000427786696 247394034 /nfs/dbraw/zinc/39/40/34/247394034.db2.gz SLRGSTJLMAOQPK-UHFFFAOYSA-N -1 3 349.799 2.651 10 30 EFEEHM COC(=O)c1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c[n-]1 ZINC000431762338 247936744 /nfs/dbraw/zinc/93/67/44/247936744.db2.gz YFYYOHWZTHHSRG-UHFFFAOYSA-N -1 3 345.358 2.848 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(Cl)c1 ZINC000443230932 250174132 /nfs/dbraw/zinc/17/41/32/250174132.db2.gz ZWBVITNARQHBQN-UHFFFAOYSA-N -1 3 337.832 2.820 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1ccccc1C#N ZINC000443067209 250157224 /nfs/dbraw/zinc/15/72/24/250157224.db2.gz DWIOUJOTASPOEH-OAHLLOKOSA-N -1 3 328.393 2.587 10 30 EFEEHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2cnccc2C(F)(F)F)C1 ZINC000443155404 250165396 /nfs/dbraw/zinc/16/53/96/250165396.db2.gz INZDKCOIOMMRCQ-MFKMUULPSA-N -1 3 347.362 2.851 10 30 EFEEHM N#C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C1CCCCC1 ZINC000443147949 250165890 /nfs/dbraw/zinc/16/58/90/250165890.db2.gz SSCMESDIVBWLCI-LBPRGKRZSA-N -1 3 347.362 2.851 10 30 EFEEHM N#Cc1ccc(OCCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000345937251 142120934 /nfs/dbraw/zinc/12/09/34/142120934.db2.gz DPYBCBGMNBZMRF-UHFFFAOYSA-N -1 3 342.370 2.921 10 30 EFEEHM N#Cc1cscc1C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000342844943 145207764 /nfs/dbraw/zinc/20/77/64/145207764.db2.gz HUATXFAACLXQGI-UHFFFAOYSA-N -1 3 330.319 2.962 10 30 EFEEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cnc([C@@H]2CCCO2)s1 ZINC000089824875 544527925 /nfs/dbraw/zinc/52/79/25/544527925.db2.gz ASSCGTLYEYPSMV-JTQLQIEISA-N -1 3 329.385 2.982 10 30 EFEEHM Cc1cc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc(C)c1O ZINC000530330149 269912543 /nfs/dbraw/zinc/91/25/43/269912543.db2.gz LNXONOOJDXRMEM-UHFFFAOYSA-N -1 3 348.399 2.541 10 30 EFEEHM CN(C)[C@@H]1CCOc2c([N-]c3ncc(C#N)cc3[N+](=O)[O-])cccc21 ZINC000450485970 267288164 /nfs/dbraw/zinc/28/81/64/267288164.db2.gz APFQJUJMVCPLBB-CQSZACIVSA-N -1 3 339.355 2.990 10 30 EFEEHM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1cccnc1C#N ZINC000428398831 268106197 /nfs/dbraw/zinc/10/61/97/268106197.db2.gz IVKLEOXUYHHKFP-UHFFFAOYSA-N -1 3 341.392 2.529 10 30 EFEEHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OC)c1[O-] ZINC000124739483 293001681 /nfs/dbraw/zinc/00/16/81/293001681.db2.gz QIGGZZCNNFINRJ-UHFFFAOYSA-N -1 3 340.379 2.561 10 30 EFEEHM N#Cc1nccn1Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000123998884 295002522 /nfs/dbraw/zinc/00/25/22/295002522.db2.gz HOIBGOGRDZMTCL-UHFFFAOYSA-N -1 3 333.376 2.768 10 30 EFEEHM COc1cc(=NC(=O)c2ccccc2-c2ccccc2C#N)[n-]n1C ZINC000547815546 318044951 /nfs/dbraw/zinc/04/49/51/318044951.db2.gz MPFQLCQERZUWPL-UHFFFAOYSA-N -1 3 332.363 2.642 10 30 EFEEHM O=C(CCCC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)N[O-] ZINC000148958395 473324285 /nfs/dbraw/zinc/32/42/85/473324285.db2.gz YTROHOUIUFEGKV-UHFFFAOYSA-N -1 3 343.427 2.625 10 30 EFEEHM CC(C)(C)n1cc(/C=C\C(=O)c2ccc([N-]S(C)(=O)=O)cc2)cn1 ZINC000096189859 473331289 /nfs/dbraw/zinc/33/12/89/473331289.db2.gz SQQPLDGKGFIPGF-YHYXMXQVSA-N -1 3 347.440 2.906 10 30 EFEEHM COC(=O)c1cccc2nc(NC(=O)c3ccc(C#N)cc3C)[n-]c21 ZINC000162525535 473351781 /nfs/dbraw/zinc/35/17/81/473351781.db2.gz MDSXBNXIKYYREB-UHFFFAOYSA-N -1 3 334.335 2.782 10 30 EFEEHM COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)cc3C)nc21 ZINC000162525535 473351786 /nfs/dbraw/zinc/35/17/86/473351786.db2.gz MDSXBNXIKYYREB-UHFFFAOYSA-N -1 3 334.335 2.782 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000185236233 473373155 /nfs/dbraw/zinc/37/31/55/473373155.db2.gz FEGMDSXZGWYLFO-LBPRGKRZSA-N -1 3 340.445 2.998 10 30 EFEEHM N=C1C(c2nc3ccccc3s2)C([O-])=CN1c1ccc2cn[nH]c2c1 ZINC000008231225 471672582 /nfs/dbraw/zinc/67/25/82/471672582.db2.gz XIKUMESIYDISAF-UHFFFAOYSA-N -1 3 347.403 2.889 10 30 EFEEHM CCOC(=O)c1c([O-])csc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000038536775 472020159 /nfs/dbraw/zinc/02/01/59/472020159.db2.gz WGQAGMZLCVARIL-UHFFFAOYSA-N -1 3 347.436 2.805 10 30 EFEEHM C=CCNC(=O)Cc1nc(=O)c2c(C[C@@H](C)CC)c(C)sc2[n-]1 ZINC000055503361 472194877 /nfs/dbraw/zinc/19/48/77/472194877.db2.gz XRBJOINSIOMXBF-JTQLQIEISA-N -1 3 333.457 2.726 10 30 EFEEHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1nnc2n1CCCCC2 ZINC000107409854 472953514 /nfs/dbraw/zinc/95/35/14/472953514.db2.gz OOTYLRCWYBLYKV-CQSZACIVSA-N -1 3 348.366 2.545 10 30 EFEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](c1nccs1)C1CC1 ZINC000095433240 473203182 /nfs/dbraw/zinc/20/31/82/473203182.db2.gz UUQCBQAKVHWTSD-CYBMUJFWSA-N -1 3 337.401 2.583 10 30 EFEEHM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1cnc2ccccc2n1 ZINC000190917973 473428484 /nfs/dbraw/zinc/42/84/84/473428484.db2.gz NDZUNKJUWNLSHM-OAHLLOKOSA-N -1 3 340.346 2.701 10 30 EFEEHM COc1ccc(-c2nsc([N-]C(=O)c3ccc(C#N)nc3)n2)cc1 ZINC000115061032 473533255 /nfs/dbraw/zinc/53/32/55/473533255.db2.gz NQUGQEXLBBVWDR-UHFFFAOYSA-N -1 3 337.364 2.733 10 30 EFEEHM C=C(C)C[C@@H](C)c1nc(-c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)no1 ZINC000288841902 474068213 /nfs/dbraw/zinc/06/82/13/474068213.db2.gz DHYADVIOVRLXJH-ZMZPIMSZSA-N -1 3 340.383 2.861 10 30 EFEEHM C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182645748 474224947 /nfs/dbraw/zinc/22/49/47/474224947.db2.gz ILKFFWDAYQLEIY-GDBMZVCRSA-N -1 3 330.428 2.858 10 30 EFEEHM C=CCCCN(C)C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000182766431 474251895 /nfs/dbraw/zinc/25/18/95/474251895.db2.gz AOSORBSMJYKWQL-UHFFFAOYSA-N -1 3 343.383 2.979 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C#N ZINC000314343904 474862733 /nfs/dbraw/zinc/86/27/33/474862733.db2.gz DGJANGOUYHQITL-UHFFFAOYSA-N -1 3 325.752 2.855 10 30 EFEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@@H](C#N)C(C)(C)C)CC2 ZINC000273443241 474899624 /nfs/dbraw/zinc/89/96/24/474899624.db2.gz JSFPPUMRQVSOPR-INIZCTEOSA-N -1 3 334.441 2.840 10 30 EFEEHM C=CCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000280110413 475009759 /nfs/dbraw/zinc/00/97/59/475009759.db2.gz KIIDBPCHXXCLKX-UHFFFAOYSA-N -1 3 342.436 2.599 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@H](C(=O)OCC)c1ccc(OC)c(F)c1 ZINC000293516226 475019063 /nfs/dbraw/zinc/01/90/63/475019063.db2.gz OEVNHJWCAADPGW-ZDUSSCGKSA-N -1 3 345.317 2.766 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@H](CC(C)C)C(=O)Nc1nccs1 ZINC000294589505 475072796 /nfs/dbraw/zinc/07/27/96/475072796.db2.gz NZBFMGUHXIABRO-SNVBAGLBSA-N -1 3 331.388 2.824 10 30 EFEEHM CCOc1ccncc1S(=O)(=O)[N-][C@H](CCC#N)c1ccccc1 ZINC000295208926 475113117 /nfs/dbraw/zinc/11/31/17/475113117.db2.gz UKFYWPKNIZXBIA-OAHLLOKOSA-N -1 3 345.424 2.804 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@H](CCSC)c1nnc2ccccn21 ZINC000292770301 475190681 /nfs/dbraw/zinc/19/06/81/475190681.db2.gz LTPDNBWBQMBMRL-LLVKDONJSA-N -1 3 340.399 2.851 10 30 EFEEHM CC(C)(C)C(=O)NCCNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000331245330 475328317 /nfs/dbraw/zinc/32/83/17/475328317.db2.gz UCTRKSCTLQTSTD-UHFFFAOYSA-N -1 3 334.416 2.573 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)ccc1F ZINC000352707895 475551924 /nfs/dbraw/zinc/55/19/24/475551924.db2.gz DDAYVXBAOXXWKM-UHFFFAOYSA-N -1 3 340.326 2.768 10 30 EFEEHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccccc1F ZINC000352861350 475659316 /nfs/dbraw/zinc/65/93/16/475659316.db2.gz HFKCLYCZRKMDLC-ZDUSSCGKSA-N -1 3 340.420 2.596 10 30 EFEEHM COc1cc(OC)c2ncc(C#N)c(NCc3ncccc3[O-])c2c1 ZINC000343055208 475726183 /nfs/dbraw/zinc/72/61/83/475726183.db2.gz RVWUSGRYLZUPAP-UHFFFAOYSA-N -1 3 336.351 2.836 10 30 EFEEHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F ZINC000346878432 475933247 /nfs/dbraw/zinc/93/32/47/475933247.db2.gz AGFURUOBJFVYQO-LBPRGKRZSA-N -1 3 329.322 2.665 10 30 EFEEHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ncccc1[O-] ZINC000349354813 475951596 /nfs/dbraw/zinc/95/15/96/475951596.db2.gz MWDZZVROBHMTNI-UHFFFAOYSA-N -1 3 349.312 2.657 10 30 EFEEHM CC(C)[C@@H](C#N)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000343657515 476099068 /nfs/dbraw/zinc/09/90/68/476099068.db2.gz JEOUESKNCCTWOR-CYBMUJFWSA-N -1 3 348.200 2.569 10 30 EFEEHM CO[C@@](C)(c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1)C1CC1 ZINC000350471538 476197928 /nfs/dbraw/zinc/19/79/28/476197928.db2.gz LGZZQDLXHCFIJH-GOSISDBHSA-N -1 3 342.399 2.716 10 30 EFEEHM N#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000357340719 476338539 /nfs/dbraw/zinc/33/85/39/476338539.db2.gz BDCFHBUOAQTIJX-UHFFFAOYSA-N -1 3 345.196 2.885 10 30 EFEEHM N#C[C@]1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCc2ccccc2C1 ZINC000354246807 476536161 /nfs/dbraw/zinc/53/61/61/476536161.db2.gz HWMOFULOJLWGJF-NRFANRHFSA-N -1 3 343.386 2.709 10 30 EFEEHM Cc1nc(C)c(CC(=O)N[C@@H](CCCC#N)c2ccccc2)c(=O)[n-]1 ZINC000352205990 476550599 /nfs/dbraw/zinc/55/05/99/476550599.db2.gz JYAGUCRIUHFEJZ-KRWDZBQOSA-N -1 3 338.411 2.893 10 30 EFEEHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cccc(CC#N)c1 ZINC000456736811 476717118 /nfs/dbraw/zinc/71/71/18/476717118.db2.gz RGPYMEOJPNKUEK-UHFFFAOYSA-N -1 3 347.378 2.870 10 30 EFEEHM CC1(C)CCC[C@@](O)(C[N-]S(=O)(=O)CC2(C#N)CCCCC2)C1 ZINC000445741426 476765201 /nfs/dbraw/zinc/76/52/01/476765201.db2.gz QFZJGBNGRJPOSY-KRWDZBQOSA-N -1 3 342.505 2.711 10 30 EFEEHM C=CCC[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OCC ZINC000451994662 476767014 /nfs/dbraw/zinc/76/70/14/476767014.db2.gz OFSPNGWSNWVSMH-INIZCTEOSA-N -1 3 339.457 2.621 10 30 EFEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000408337937 476947280 /nfs/dbraw/zinc/94/72/80/476947280.db2.gz FMWGMJRVPPVKCR-LDYMZIIASA-N -1 3 347.209 2.559 10 30 EFEEHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000408405314 476950990 /nfs/dbraw/zinc/95/09/90/476950990.db2.gz QLEZZENEDVKERS-GZMMTYOYSA-N -1 3 347.209 2.559 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000447939965 477097749 /nfs/dbraw/zinc/09/77/49/477097749.db2.gz AHKVUOMRECKTNE-UHFFFAOYSA-N -1 3 338.307 2.858 10 30 EFEEHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@H]2C ZINC000416417094 477166631 /nfs/dbraw/zinc/16/66/31/477166631.db2.gz MUJLSSOQINKYNC-CYBMUJFWSA-N -1 3 338.477 2.921 10 30 EFEEHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432781006 477262992 /nfs/dbraw/zinc/26/29/92/477262992.db2.gz PMYJSMANILAKPX-UHFFFAOYSA-N -1 3 344.440 2.857 10 30 EFEEHM CCOC(=O)c1cc(C(=O)[N-]c2cc(C#N)ccc2OC(C)C)on1 ZINC000448777844 477284338 /nfs/dbraw/zinc/28/43/38/477284338.db2.gz PVWPTUJAFACDIU-UHFFFAOYSA-N -1 3 343.339 2.762 10 30 EFEEHM C=CC[C@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000436498189 477495533 /nfs/dbraw/zinc/49/55/33/477495533.db2.gz VGPAYIBHBBZGBY-QGZVFWFLSA-N -1 3 325.408 2.844 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000425178257 477660591 /nfs/dbraw/zinc/66/05/91/477660591.db2.gz KIEOAXFCUUSEOD-CABZTGNLSA-N -1 3 336.240 2.863 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000425179246 477661062 /nfs/dbraw/zinc/66/10/62/477661062.db2.gz PBMLKYMTIPOORR-GWCFXTLKSA-N -1 3 333.812 2.657 10 30 EFEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2)n1 ZINC000530668487 477888481 /nfs/dbraw/zinc/88/84/81/477888481.db2.gz ASPUBPHAOFRTDV-UHFFFAOYSA-N -1 3 344.374 2.798 10 30 EFEEHM CC(=O)N1CCc2cc(NC(=O)[N-]c3snc(C)c3C#N)ccc21 ZINC000459558572 477974748 /nfs/dbraw/zinc/97/47/48/477974748.db2.gz ALWJRCARXWVOFT-UHFFFAOYSA-N -1 3 341.396 2.876 10 30 EFEEHM CCOC(=O)[C@H](CCC(C)(C)C)[N-]S(=O)(=O)CC(C)(C)CC#N ZINC000451399628 477993332 /nfs/dbraw/zinc/99/33/32/477993332.db2.gz ZKKYQODQEFPHGL-ZDUSSCGKSA-N -1 3 346.493 2.604 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(F)(F)F ZINC000562546399 478267016 /nfs/dbraw/zinc/26/70/16/478267016.db2.gz VQSKXNQLNUPMNX-UHFFFAOYSA-N -1 3 338.326 2.705 10 30 EFEEHM Cc1c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn2c1OCCC2 ZINC000579676844 478344936 /nfs/dbraw/zinc/34/49/36/478344936.db2.gz ANEXJPLQYGUHRI-GFCCVEGCSA-N -1 3 335.367 2.649 10 30 EFEEHM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nn2c1OCCC2 ZINC000579676844 478344943 /nfs/dbraw/zinc/34/49/43/478344943.db2.gz ANEXJPLQYGUHRI-GFCCVEGCSA-N -1 3 335.367 2.649 10 30 EFEEHM COC(=O)c1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cc2[nH]ccc21 ZINC000580437557 478362106 /nfs/dbraw/zinc/36/21/06/478362106.db2.gz YCBVLPZOTJOOTL-UHFFFAOYSA-N -1 3 349.412 2.636 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H](C2CC2)[C@@H]2CCCCO2)CCCCC1 ZINC000594475541 478401596 /nfs/dbraw/zinc/40/15/96/478401596.db2.gz VJSJATCUFSMQQG-HOTGVXAUSA-N -1 3 340.489 2.728 10 30 EFEEHM CC(C)n1cnc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594481629 478404464 /nfs/dbraw/zinc/40/44/64/478404464.db2.gz NIYANCGLPVIFAS-UHFFFAOYSA-N -1 3 344.440 2.693 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H]2CCCC[C@@]21C ZINC000600757089 478506212 /nfs/dbraw/zinc/50/62/12/478506212.db2.gz IZPLJIGTWLOYEY-LIRRHRJNSA-N -1 3 327.428 2.999 10 30 EFEEHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594720645 478511862 /nfs/dbraw/zinc/51/18/62/478511862.db2.gz NCISALJGEGREBE-VIFPVBQESA-N -1 3 337.626 2.683 10 30 EFEEHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000600779575 478517662 /nfs/dbraw/zinc/51/76/62/478517662.db2.gz CIGJGSOWAAJYSP-UHFFFAOYSA-N -1 3 349.390 2.615 10 30 EFEEHM C[C@H](C#N)C[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594758447 478532988 /nfs/dbraw/zinc/53/29/88/478532988.db2.gz RLLRYLZBSDHODF-SSDOTTSWSA-N -1 3 337.626 2.540 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1(F)F ZINC000594858530 478563255 /nfs/dbraw/zinc/56/32/55/478563255.db2.gz SGYMDJGGMNJBOU-GFCCVEGCSA-N -1 3 334.775 2.925 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(F)F ZINC000594859351 478564738 /nfs/dbraw/zinc/56/47/38/478564738.db2.gz YPIAZMNJTARKID-LBPRGKRZSA-N -1 3 334.775 2.925 10 30 EFEEHM Cc1ccc(C[S@@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000600924279 478568974 /nfs/dbraw/zinc/56/89/74/478568974.db2.gz VTRBTSMUNCPEDE-HSZRJFAPSA-N -1 3 327.409 2.689 10 30 EFEEHM CC[C@@H](COCC1CC1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597922145 478576368 /nfs/dbraw/zinc/57/63/68/478576368.db2.gz ZBEKZDXFEBSBAN-HNNXBMFYSA-N -1 3 345.443 2.530 10 30 EFEEHM CCC(CC)c1cc(C[N-]S(=O)(=O)CC2(C#N)CCC2)on1 ZINC000582448168 478601397 /nfs/dbraw/zinc/60/13/97/478601397.db2.gz TYPWHRNMBMQTBJ-UHFFFAOYSA-N -1 3 325.434 2.691 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CC#N)cc1 ZINC000571525062 478617122 /nfs/dbraw/zinc/61/71/22/478617122.db2.gz IKYFNGQJBBCOTE-UHFFFAOYSA-N -1 3 348.406 2.591 10 30 EFEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528326049 478721715 /nfs/dbraw/zinc/72/17/15/478721715.db2.gz JLCNRWXNLZAIEM-SECBINFHSA-N -1 3 339.335 2.837 10 30 EFEEHM Cc1cccn2c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cnc12 ZINC000598261789 478730014 /nfs/dbraw/zinc/73/00/14/478730014.db2.gz JHKJWUIUWWNJEK-UHFFFAOYSA-N -1 3 349.394 2.803 10 30 EFEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1(F)F ZINC000595351507 478742128 /nfs/dbraw/zinc/74/21/28/478742128.db2.gz USLKFYGYKABLPQ-LLVKDONJSA-N -1 3 334.775 2.781 10 30 EFEEHM N#Cc1cnccc1CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000592073060 478765432 /nfs/dbraw/zinc/76/54/32/478765432.db2.gz ALZWUNGBIMEPQT-UHFFFAOYSA-N -1 3 336.395 2.510 10 30 EFEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000592084287 478767766 /nfs/dbraw/zinc/76/77/66/478767766.db2.gz IKXQAOHLGUANCW-TXEJJXNPSA-N -1 3 342.848 2.836 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000598339649 478775086 /nfs/dbraw/zinc/77/50/86/478775086.db2.gz BKCMZUUOGLEQIH-CYBMUJFWSA-N -1 3 337.370 2.616 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)CCCC1 ZINC000583291720 478813691 /nfs/dbraw/zinc/81/36/91/478813691.db2.gz CCZOQTHUBNEHAQ-SJORKVTESA-N -1 3 348.468 2.910 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cscc2Br)C1 ZINC000601426218 478829939 /nfs/dbraw/zinc/82/99/39/478829939.db2.gz UKHGVBOYUUCJHP-IUCAKERBSA-N -1 3 349.275 2.871 10 30 EFEEHM CCc1csc([C@@H](C)[N-]S(=O)(=O)CC2(C#N)CCCC2)n1 ZINC000601443610 478836351 /nfs/dbraw/zinc/83/63/51/478836351.db2.gz TVTCFJGVKVDQIF-LLVKDONJSA-N -1 3 327.475 2.770 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(F)F)cc1)C(=O)OC ZINC000601502061 478853897 /nfs/dbraw/zinc/85/38/97/478853897.db2.gz SDESQFVKRUKFNN-CYBMUJFWSA-N -1 3 347.383 2.551 10 30 EFEEHM N#Cc1ccc([N-]S(=O)(=O)CCCC2CCOCC2)cc1F ZINC000592384090 478876837 /nfs/dbraw/zinc/87/68/37/478876837.db2.gz BGIKRWBUVLVGGQ-UHFFFAOYSA-N -1 3 326.393 2.646 10 30 EFEEHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592384167 478877954 /nfs/dbraw/zinc/87/79/54/478877954.db2.gz LAYYHBUHTUNJKC-HNNXBMFYSA-N -1 3 338.454 2.807 10 30 EFEEHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)c1cccc(Cl)c1 ZINC000572765651 478914691 /nfs/dbraw/zinc/91/46/91/478914691.db2.gz ZQGPZJBDRIEZOF-AWEZNQCLSA-N -1 3 342.848 2.641 10 30 EFEEHM Cc1nsc([N-]C(=O)c2ccc(C(=O)OC(C)(C)C)cn2)c1C#N ZINC000592628990 478972631 /nfs/dbraw/zinc/97/26/31/478972631.db2.gz SUIFSNHVCNVFQN-UHFFFAOYSA-N -1 3 344.396 2.926 10 30 EFEEHM NCC(F)(F)CC(=O)[N-][C@H](c1c(F)cccc1F)C(F)(F)F ZINC000565311480 478975781 /nfs/dbraw/zinc/97/57/81/478975781.db2.gz GCPAGDRUGMZXSG-SNVBAGLBSA-N -1 3 332.219 2.669 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC2CCC1CC2 ZINC000584250351 479067799 /nfs/dbraw/zinc/06/77/99/479067799.db2.gz KHGIKOKBASUJGP-MQBCKMQZSA-N -1 3 327.428 2.903 10 30 EFEEHM CC[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCC1)Oc1cccc(C)c1 ZINC000514853013 479077852 /nfs/dbraw/zinc/07/78/52/479077852.db2.gz YVZXVSUQRIOUNR-HNNXBMFYSA-N -1 3 336.457 2.766 10 30 EFEEHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@](C)(C#N)C2CCCCC2)c1 ZINC000549694962 479142754 /nfs/dbraw/zinc/14/27/54/479142754.db2.gz DSFSLBQBRFANNZ-SFHVURJKSA-N -1 3 329.400 2.943 10 30 EFEEHM Cc1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1C#N ZINC000599330445 479257029 /nfs/dbraw/zinc/25/70/29/479257029.db2.gz ZJKVPUHIAOSFGQ-UHFFFAOYSA-N -1 3 335.407 2.530 10 30 EFEEHM CCOc1cc(CNCC2(C#N)CC2)cc(Br)c1[O-] ZINC000574416920 479284700 /nfs/dbraw/zinc/28/47/00/479284700.db2.gz PTDAQRUEUCGSJA-UHFFFAOYSA-N -1 3 325.206 2.947 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(Cl)cc21 ZINC000599479553 479309629 /nfs/dbraw/zinc/30/96/29/479309629.db2.gz GVFPHQXCKKMQQY-AWEZNQCLSA-N -1 3 347.827 2.963 10 30 EFEEHM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000611280148 479336176 /nfs/dbraw/zinc/33/61/76/479336176.db2.gz ZWZGMWWEYNUVPK-SFHVURJKSA-N -1 3 341.455 2.577 10 30 EFEEHM CCc1cccc2c1OCC[C@H]2[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539864 479382065 /nfs/dbraw/zinc/38/20/65/479382065.db2.gz HSRZWGIOVSRNSV-CYBMUJFWSA-N -1 3 348.449 2.984 10 30 EFEEHM Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccsc2C#N)CC1 ZINC000593540434 479382128 /nfs/dbraw/zinc/38/21/28/479382128.db2.gz WKEBTKIBWOTPEM-UHFFFAOYSA-N -1 3 332.450 2.938 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000593558176 479387267 /nfs/dbraw/zinc/38/72/67/479387267.db2.gz FZIZOPJICSYUGW-GDLVEWKHSA-N -1 3 348.449 2.851 10 30 EFEEHM CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593562647 479388254 /nfs/dbraw/zinc/38/82/54/479388254.db2.gz WGKWONCJSXGEKF-GHMZBOCLSA-N -1 3 330.500 2.962 10 30 EFEEHM CCC(CC)[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574059 479391817 /nfs/dbraw/zinc/39/18/17/479391817.db2.gz XOGAKLSVBXPGIR-CHWSQXEVSA-N -1 3 342.486 2.882 10 30 EFEEHM CCOc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593590581 479395716 /nfs/dbraw/zinc/39/57/16/479395716.db2.gz HATBDCCMNDPLFE-UONOGXRCSA-N -1 3 348.449 2.853 10 30 EFEEHM C=CCC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCCCC1 ZINC000593610616 479402233 /nfs/dbraw/zinc/40/22/33/479402233.db2.gz XHSHXTLCFKSRGE-UHFFFAOYSA-N -1 3 325.390 2.547 10 30 EFEEHM C[C@]1(C#N)CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000614923583 479548695 /nfs/dbraw/zinc/54/86/95/479548695.db2.gz CPRRYJLHMRAPME-OAHLLOKOSA-N -1 3 337.217 2.849 10 30 EFEEHM N#CCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000589702522 479561621 /nfs/dbraw/zinc/56/16/21/479561621.db2.gz QAUORTPCJJNOIA-UHFFFAOYSA-N -1 3 330.125 2.629 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000576340964 479578387 /nfs/dbraw/zinc/57/83/87/479578387.db2.gz XPJDZFXRDHIZMY-IUCAKERBSA-N -1 3 341.376 2.636 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)CCCC1 ZINC000576811336 479584104 /nfs/dbraw/zinc/58/41/04/479584104.db2.gz CCZOQTHUBNEHAQ-IAGOWNOFSA-N -1 3 348.468 2.910 10 30 EFEEHM C[C@H](CC#N)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000597161399 479599261 /nfs/dbraw/zinc/59/92/61/479599261.db2.gz TWZPQNYHWSEHBQ-MRVPVSSYSA-N -1 3 349.334 2.565 10 30 EFEEHM CCOc1cc(CN2CC(CC#N)C2)cc(Br)c1[O-] ZINC000597203722 479618914 /nfs/dbraw/zinc/61/89/14/479618914.db2.gz MZDXKTXAVYRGML-UHFFFAOYSA-N -1 3 325.206 2.899 10 30 EFEEHM COc1ccc(CN2CC[C@@](C)(C#N)C2)c(Br)c1[O-] ZINC000597230553 479632458 /nfs/dbraw/zinc/63/24/58/479632458.db2.gz HBVHDRUOZAEPQZ-AWEZNQCLSA-N -1 3 325.206 2.899 10 30 EFEEHM CN(C)[C@@H]1CCOc2c(NC(=O)c3cc([O-])cc(C#N)c3)cccc21 ZINC000619147072 479697894 /nfs/dbraw/zinc/69/78/94/479697894.db2.gz UXXGYJJTADMIPP-QGZVFWFLSA-N -1 3 337.379 2.901 10 30 EFEEHM C=CC[C@H](CO)C[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645638932 480905143 /nfs/dbraw/zinc/90/51/43/480905143.db2.gz CYOSPCBNJUNPCG-LBPRGKRZSA-N -1 3 325.455 2.673 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000661114134 482330802 /nfs/dbraw/zinc/33/08/02/482330802.db2.gz DVNABVUPYQJTDZ-KBPBESRZSA-N -1 3 333.457 2.733 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000661114136 482332085 /nfs/dbraw/zinc/33/20/85/482332085.db2.gz DVNABVUPYQJTDZ-UONOGXRCSA-N -1 3 333.457 2.733 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1COc2ccccc21 ZINC000156907446 526520669 /nfs/dbraw/zinc/52/06/69/526520669.db2.gz GLBQGZFNJDEMOQ-ZDUSSCGKSA-N -1 3 334.784 2.624 10 30 EFEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)[N-]c1nncn1C1CC1 ZINC000356181248 535163443 /nfs/dbraw/zinc/16/34/43/535163443.db2.gz OFTOMTVTQCKJJW-HNNXBMFYSA-N -1 3 325.372 2.527 10 30 EFEEHM CCN(C[C@@H](C)C#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000357272918 535762031 /nfs/dbraw/zinc/76/20/31/535762031.db2.gz NFMSFHWREKYXGG-JTQLQIEISA-N -1 3 325.206 2.705 10 30 EFEEHM COc1cc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc(OC)c1[O-] ZINC000358519232 536512890 /nfs/dbraw/zinc/51/28/90/536512890.db2.gz VAPOHXNHYUBROS-CYBMUJFWSA-N -1 3 330.315 2.543 10 30 EFEEHM COc1cccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435436842 537114305 /nfs/dbraw/zinc/11/43/05/537114305.db2.gz HOKVVDQQYOUKNQ-LLVKDONJSA-N -1 3 336.438 2.538 10 30 EFEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000320209386 545814727 /nfs/dbraw/zinc/81/47/27/545814727.db2.gz XMNYBSAVHLPHFC-SNVBAGLBSA-N -1 3 338.256 2.826 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000655634872 546510348 /nfs/dbraw/zinc/51/03/48/546510348.db2.gz XDEMDCBGNJVIKK-LBPRGKRZSA-N -1 3 344.502 2.970 10 30 EFEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000657037001 547012311 /nfs/dbraw/zinc/01/23/11/547012311.db2.gz SAORPWUPWJUOAF-NWDGAFQWSA-N -1 3 343.474 2.515 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@@H]2CCN(c3c(F)cccc3F)C2)c1[O-] ZINC000755031999 575532444 /nfs/dbraw/zinc/53/24/44/575532444.db2.gz PIXVJTYJHDHGMU-CJNHFMNGSA-N -1 3 347.365 2.564 10 30 EFEEHM [O-]c1c(O)ccc(/C=N/[C@H]2CCN(c3c(F)cccc3F)C2)c1O ZINC000755031009 575532539 /nfs/dbraw/zinc/53/25/39/575532539.db2.gz DSFZJZZMRHKWKZ-FEQLDZPWSA-N -1 3 334.322 2.779 10 30 EFEEHM [O-]c1ccc(CN=Nc2nc(-c3ccccn3)nc3c2CCC3)nc1 ZINC000755750900 575627681 /nfs/dbraw/zinc/62/76/81/575627681.db2.gz SONDKNCRULOSBO-UHFFFAOYSA-N -1 3 332.367 2.574 10 30 EFEEHM COC(=O)[C@H](OC(=O)c1ccc([O-])cc1C)c1ccc(C#N)cc1 ZINC000758512663 575871192 /nfs/dbraw/zinc/87/11/92/575871192.db2.gz BQJFDBQUNOUJNU-MRXNPFEDSA-N -1 3 325.320 2.643 10 30 EFEEHM C=CCC(CC=C)C(=O)OCC(=O)N=c1cc[n-]n1[C@@H](C)C1CC1 ZINC000759011000 575882720 /nfs/dbraw/zinc/88/27/20/575882720.db2.gz NNQVGHJUFBYOBV-ZDUSSCGKSA-N -1 3 331.416 2.526 10 30 EFEEHM C#CC[N-]C(=S)C(C(=O)c1ccccc1C)[n+]1cc([O-])ccc1C ZINC000759059081 575883838 /nfs/dbraw/zinc/88/38/38/575883838.db2.gz OXNJEPUMQRGGHR-UHFFFAOYSA-O -1 3 339.440 2.731 10 30 EFEEHM COc1ccc(CC/N=C\c2c([O-])c(C)ncc2CO)c(Cl)c1 ZINC000760212941 575991367 /nfs/dbraw/zinc/99/13/67/575991367.db2.gz VMTABXLGCPFKNX-OCKHKDLRSA-N -1 3 334.803 2.912 10 30 EFEEHM N#Cc1ccc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cccc([O-])c2)cc1 ZINC000762436747 576302549 /nfs/dbraw/zinc/30/25/49/576302549.db2.gz FLUXUXCAWZPFJF-UHFFFAOYSA-O -1 3 338.412 2.515 10 30 EFEEHM COCc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000765589566 577057163 /nfs/dbraw/zinc/05/71/63/577057163.db2.gz ZFYMSICHKCGGSI-CYBMUJFWSA-N -1 3 343.770 2.843 10 30 EFEEHM CCOc1ccc(/C=N\[C@@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000766284431 577130998 /nfs/dbraw/zinc/13/09/98/577130998.db2.gz SAXMRFTUWDSJDL-SDLDRHLBSA-N -1 3 342.443 2.921 10 30 EFEEHM CCCC[C@@H](ON=C(C)C)C(=O)O[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000767753202 577231716 /nfs/dbraw/zinc/23/17/16/577231716.db2.gz ZQMHCCDIIQGIKH-CHWSQXEVSA-N -1 3 339.392 2.824 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000768886096 577313984 /nfs/dbraw/zinc/31/39/84/577313984.db2.gz AJDSHAIVNRTWKC-KTRBRXNASA-N -1 3 343.246 2.887 10 30 EFEEHM CC(C)Cc1ncc(C=N[N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000772841297 581374062 /nfs/dbraw/zinc/37/40/62/581374062.db2.gz STCVEMJZWRKBIN-UHFFFAOYSA-N -1 3 337.470 2.795 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)c1 ZINC000773974312 581476113 /nfs/dbraw/zinc/47/61/13/581476113.db2.gz HKMDYEUFWTVZLH-XZVRFQMRSA-N -1 3 335.363 2.759 10 30 EFEEHM COc1cccc(NC(=O)C(C#N)=C([O-])C=Cc2ccc(C)nc2)c1 ZINC000773974287 581476130 /nfs/dbraw/zinc/47/61/30/581476130.db2.gz HKMDYEUFWTVZLH-IJDCCNJMSA-N -1 3 335.363 2.759 10 30 EFEEHM Cn1[n-]ccc1=NN=C1CCCOc2cc(Br)ccc21 ZINC000774411255 581491016 /nfs/dbraw/zinc/49/10/16/581491016.db2.gz FZZHSMZFZBJKPH-UHFFFAOYSA-N -1 3 335.205 2.593 10 30 EFEEHM Cc1cc(Cl)cc(C=NNC(=S)NCC(F)(F)F)c1[O-] ZINC000774585371 581494752 /nfs/dbraw/zinc/49/47/52/581494752.db2.gz BHXAMIKLEHKEGN-UHFFFAOYSA-N -1 3 325.743 2.714 10 30 EFEEHM Cc1cc(C)n(-c2nncn2N=Cc2cc(Cl)cc(C)c2[O-])n1 ZINC000774590261 581494848 /nfs/dbraw/zinc/49/48/48/581494848.db2.gz UOYCTKFJEMEISW-UHFFFAOYSA-N -1 3 330.779 2.630 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])C[C@]2(C)C1 ZINC001719677016 1249062259 /nfs/dbraw/zinc/06/22/59/1249062259.db2.gz JOFMCOKCGQDWSL-QRWLVFNGSA-N -1 3 342.439 2.669 10 30 EFEEHM C=CCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001745633740 1249981885 /nfs/dbraw/zinc/98/18/85/1249981885.db2.gz NIZAIKSTLVFGJQ-QGZVFWFLSA-N -1 3 338.407 2.946 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746959512 1247961721 /nfs/dbraw/zinc/96/17/21/1247961721.db2.gz PLNHZFVSGKGPOG-ZBFHGGJFSA-N -1 3 330.428 2.763 10 30 EFEEHM C#C[C@@H]1CCCC[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851532315 1251059649 /nfs/dbraw/zinc/05/96/49/1251059649.db2.gz OZNDUEKZJVCDDH-RHSMWYFYSA-N -1 3 326.396 2.944 10 30 EFEEHM C#C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851534263 1251064711 /nfs/dbraw/zinc/06/47/11/1251064711.db2.gz MVDGZDATKWRFIB-IAQYHMDHSA-N -1 3 339.388 2.546 10 30 EFEEHM Cc1c(C#N)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)n2ccccc12 ZINC001272759531 1257432277 /nfs/dbraw/zinc/43/22/77/1257432277.db2.gz OABWYSJYMBTERX-UHFFFAOYSA-N -1 3 349.394 2.803 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 ZINC001649051572 1258020199 /nfs/dbraw/zinc/02/01/99/1258020199.db2.gz BMYRLFAHFMWTEG-AWEZNQCLSA-N -1 3 334.416 2.846 10 30 EFEEHM CCCCN([O-])C(=O)c1nnn(-c2ccc3ncccc3c2)c1C ZINC001649061334 1258104329 /nfs/dbraw/zinc/10/43/29/1258104329.db2.gz LWGHBXRZUHFDPY-UHFFFAOYSA-N -1 3 325.372 2.755 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001487399010 1261851963 /nfs/dbraw/zinc/85/19/63/1261851963.db2.gz AGOKEESXEMDIOB-KOMQPUFPSA-N -1 3 342.439 2.785 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@@]2(c3ccccc3)CCCO2)CCCC1 ZINC000921915619 1263371308 /nfs/dbraw/zinc/37/13/08/1263371308.db2.gz VSCHJWZOVPBENQ-GOSISDBHSA-N -1 3 348.468 2.696 10 30 EFEEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000922034345 1264196124 /nfs/dbraw/zinc/19/61/24/1264196124.db2.gz SYFFXEAQPCYAQN-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM Cc1nsc([N-]C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1C#N ZINC001128320159 1264301903 /nfs/dbraw/zinc/30/19/03/1264301903.db2.gz YCIVTMIDRGVLRR-UHFFFAOYSA-N -1 3 349.347 2.689 10 30 EFEEHM CC(C)COC(=O)N1CCC(C(=O)N([O-])Cc2ccccc2)CC1 ZINC000821355779 1264940129 /nfs/dbraw/zinc/94/01/29/1264940129.db2.gz AULQINIDTBEKPQ-UHFFFAOYSA-N -1 3 334.416 2.909 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-]Cc1snc(OC)c1Br ZINC000824856693 1266958863 /nfs/dbraw/zinc/95/88/63/1266958863.db2.gz CBYCBZQDGICGLX-UHFFFAOYSA-N -1 3 341.177 2.742 10 30 EFEEHM Cc1c(C(=O)Nc2ccc(Br)cc2[O-])cnn1CCC#N ZINC001136219675 1276777523 /nfs/dbraw/zinc/77/75/23/1276777523.db2.gz YSGSOWZNWRXBRH-UHFFFAOYSA-N -1 3 349.188 2.826 10 30 EFEEHM C[C@H](Oc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1)c1ccccc1 ZINC000820179553 1277060847 /nfs/dbraw/zinc/06/08/47/1277060847.db2.gz MICQWWHJOHDDKZ-GUYCJALGSA-N -1 3 340.379 2.547 10 30 EFEEHM Cc1ccc(-c2ccc(C(=O)N[C@H]3CCN([O-])C3=O)c(F)c2)cc1C ZINC000820179060 1277061588 /nfs/dbraw/zinc/06/15/88/1277061588.db2.gz FDQBAZRNQFZIGP-KRWDZBQOSA-N -1 3 342.370 2.829 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001487148334 1277298671 /nfs/dbraw/zinc/29/86/71/1277298671.db2.gz LKDMZOHAPAQODV-ZIAGYGMSSA-N -1 3 330.428 2.571 10 30 EFEEHM COc1ccc(CC(=O)[N-]OCc2ccc(C#N)c(F)c2)cc1OC ZINC000790505890 1277614907 /nfs/dbraw/zinc/61/49/07/1277614907.db2.gz JSIASESLDPJGOJ-UHFFFAOYSA-N -1 3 344.342 2.505 10 30 EFEEHM Cc1nc(Cl)cc(N=NC2CCCc3c(C#N)c(=O)[n-]cc32)n1 ZINC000844585062 1279086935 /nfs/dbraw/zinc/08/69/35/1279086935.db2.gz HWBVXMVLQFTWLP-UHFFFAOYSA-N -1 3 328.763 2.563 10 30 EFEEHM Cc1cc(COCC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)on1 ZINC000845846780 1279863666 /nfs/dbraw/zinc/86/36/66/1279863666.db2.gz VPZOVNNPNLJJPP-INIZCTEOSA-N -1 3 338.363 2.509 10 30 EFEEHM CCN(C)c1ccccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000845851524 1279909724 /nfs/dbraw/zinc/90/97/24/1279909724.db2.gz BEFANJNOSAIFIP-UHFFFAOYSA-N -1 3 335.454 2.554 10 30 EFEEHM CCCCCCCCCS(=O)(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC000845902689 1279925112 /nfs/dbraw/zinc/92/51/12/1279925112.db2.gz QMQRATZVIMIUNI-UHFFFAOYSA-N -1 3 341.477 2.621 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CCCC1 ZINC000845965679 1279966532 /nfs/dbraw/zinc/96/65/32/1279966532.db2.gz OTMRREDLOIYXKR-UHFFFAOYSA-N -1 3 334.228 2.751 10 30 EFEEHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)nn1 ZINC001129930363 1280377985 /nfs/dbraw/zinc/37/79/85/1280377985.db2.gz GSXMEQJQCOEHHC-UHFFFAOYSA-N -1 3 326.734 2.526 10 30 EFEEHM CC#CC[C@@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001144922813 1280442000 /nfs/dbraw/zinc/44/20/00/1280442000.db2.gz LLPJIXGLVGMDIQ-SFHVURJKSA-N -1 3 337.419 2.682 10 30 EFEEHM CCCCCC[C@@H](C)NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811183999 1284092758 /nfs/dbraw/zinc/09/27/58/1284092758.db2.gz FAZPIZBNJQLMMD-CYBMUJFWSA-N -1 3 332.400 2.896 10 30 EFEEHM Cc1ncc(CO)c(/C=N/C[C@H]2CC[C@@H](c3ccccc3)O2)c1[O-] ZINC000811625206 1284441374 /nfs/dbraw/zinc/44/13/74/1284441374.db2.gz GUPUHJMFBCDJBT-SOOUNPCTSA-N -1 3 326.396 2.927 10 30 EFEEHM C[C@H](OCc1ccccc1)C(=NN=c1cc[n-]n1C)C(F)(F)F ZINC000811647434 1284479912 /nfs/dbraw/zinc/47/99/12/1284479912.db2.gz MPTGIZNIXYYEHJ-NSHDSACASA-N -1 3 326.322 2.778 10 30 EFEEHM Cc1nccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1 ZINC000814767808 1287012643 /nfs/dbraw/zinc/01/26/43/1287012643.db2.gz VXZWTAYPPVPELV-UHFFFAOYSA-N -1 3 342.453 2.840 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000814816670 1287047643 /nfs/dbraw/zinc/04/76/43/1287047643.db2.gz QUVYHXYTHZRQFW-HZPDHXFCSA-N -1 3 336.457 2.689 10 30 EFEEHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1Cl ZINC000815915002 1287906169 /nfs/dbraw/zinc/90/61/69/1287906169.db2.gz AFPKDZGHNNEFEX-LLVKDONJSA-N -1 3 329.743 2.705 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000816690281 1288246140 /nfs/dbraw/zinc/24/61/40/1288246140.db2.gz NAQZRESMTNWGEG-HOTGVXAUSA-N -1 3 342.420 2.626 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000816690283 1288246325 /nfs/dbraw/zinc/24/63/25/1288246325.db2.gz NAQZRESMTNWGEG-JKSUJKDBSA-N -1 3 342.420 2.626 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2ccccc2)ccc1Cl ZINC000816691907 1288247526 /nfs/dbraw/zinc/24/75/26/1288247526.db2.gz BPUCZZWADCANCO-HNNXBMFYSA-N -1 3 330.771 2.727 10 30 EFEEHM C=CCCC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC ZINC001177964896 1288598455 /nfs/dbraw/zinc/59/84/55/1288598455.db2.gz XFRUROJSYDJSSE-HNNXBMFYSA-N -1 3 337.391 2.868 10 30 EFEEHM C[C@H](C#N)CSc1ccccc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001136730709 1289324054 /nfs/dbraw/zinc/32/40/54/1289324054.db2.gz ZEHFDBIFHWYMLJ-SECBINFHSA-N -1 3 331.357 2.822 10 30 EFEEHM CN1C(=O)CS/C1=C/C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184236284 1290442677 /nfs/dbraw/zinc/44/26/77/1290442677.db2.gz WDOAWLUWDJCLGZ-WLRTZDKTSA-N -1 3 347.223 2.758 10 30 EFEEHM Cn1cc(C(=O)CCC(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001184341378 1290449730 /nfs/dbraw/zinc/44/97/30/1290449730.db2.gz YUVBOOWLRDEYLD-UHFFFAOYSA-N -1 3 337.379 2.954 10 30 EFEEHM C=CCCn1cc(CNCc2cc(Br)ccc2[O-])nn1 ZINC000825893179 1290983562 /nfs/dbraw/zinc/98/35/62/1290983562.db2.gz RADSTGGVWAELLI-UHFFFAOYSA-N -1 3 337.221 2.612 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccns1)c1ccc(Cl)cc1F ZINC001190188728 1292023820 /nfs/dbraw/zinc/02/38/20/1292023820.db2.gz MZKWIUSSNVYGFE-LLVKDONJSA-N -1 3 330.793 2.588 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)/C=C/c1ccc(F)cc1)C(=O)OCC ZINC000882644819 1293276349 /nfs/dbraw/zinc/27/63/49/1293276349.db2.gz BPPNZUUIMPMNMG-FEAKQIBJSA-N -1 3 341.404 2.614 10 30 EFEEHM C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001488191344 1296375513 /nfs/dbraw/zinc/37/55/13/1296375513.db2.gz SCLPTFTWHNZXIM-UONOGXRCSA-N -1 3 330.428 2.714 10 30 EFEEHM C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001488191345 1296375652 /nfs/dbraw/zinc/37/56/52/1296375652.db2.gz SCLPTFTWHNZXIM-ZIAGYGMSSA-N -1 3 330.428 2.714 10 30 EFEEHM C#CCn1ccc(CN(CCOC)Cc2ccc(Cl)cc2[O-])n1 ZINC001205622896 1313324364 /nfs/dbraw/zinc/32/43/64/1313324364.db2.gz YJPHROHHQGDSAR-UHFFFAOYSA-N -1 3 333.819 2.524 10 30 EFEEHM COc1cccc2[nH]cc(CC/N=C\c3c([O-])c(C)ncc3CO)c21 ZINC000777869499 1297225980 /nfs/dbraw/zinc/22/59/80/1297225980.db2.gz KTPDNTRPFZCGGD-JMIUGGIZSA-N -1 3 339.395 2.739 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490615070 1299041463 /nfs/dbraw/zinc/04/14/63/1299041463.db2.gz OKAIITHWBDSVFZ-KBMXLJTQSA-N -1 3 342.439 2.856 10 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/nfs/dbraw/zinc/88/22/34/1303882234.db2.gz QARLJAOFAPPUNN-CKXPSTMWSA-N -1 3 343.832 2.738 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1CCC(C)(C)CO1 ZINC000869335864 1304727868 /nfs/dbraw/zinc/72/78/68/1304727868.db2.gz RXFDVLLLUBWDJV-AWEZNQCLSA-N -1 3 346.427 2.957 10 30 EFEEHM N#CC1(C(=O)OCc2cc(=O)[n-]c(-c3ccccc3)n2)CC2(CC2)C1 ZINC000869614357 1304878565 /nfs/dbraw/zinc/87/85/65/1304878565.db2.gz VJAZHADYIOTPSB-UHFFFAOYSA-N -1 3 335.363 2.976 10 30 EFEEHM COc1cc2c(cc1F)CC[C@@H]2/N=C\c1c([O-])c(C)ncc1CO ZINC000800790526 1308424163 /nfs/dbraw/zinc/42/41/63/1308424163.db2.gz MZBSXXOYGISUME-QRQZCWQFSA-N -1 3 330.359 2.842 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]CC(=O)OC1CCCCC1 ZINC000900941778 1308987261 /nfs/dbraw/zinc/98/72/61/1308987261.db2.gz VHJYELYPPMMVRM-UHFFFAOYSA-N -1 3 336.338 2.642 10 30 EFEEHM O=C(c1ccoc1)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901376167 1310267843 /nfs/dbraw/zinc/26/78/43/1310267843.db2.gz QCFJXFZWIVFBGC-UHFFFAOYSA-N -1 3 346.358 2.689 10 30 EFEEHM C=C(C)C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C(=O)[O-] ZINC000901681269 1310878920 /nfs/dbraw/zinc/87/89/20/1310878920.db2.gz GVNFYLABMCJREH-VIFPVBQESA-N -1 3 349.206 2.928 10 30 EFEEHM N#CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(F)F)c1)C(F)(F)F ZINC000901768862 1311021828 /nfs/dbraw/zinc/02/18/28/1311021828.db2.gz CRBDNVJFSHJIFQ-VIFPVBQESA-N -1 3 346.252 2.886 10 30 EFEEHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)sc2nccn12 ZINC000780306673 1311094628 /nfs/dbraw/zinc/09/46/28/1311094628.db2.gz ZVGRBTJFIHHTLN-ZDUSSCGKSA-N -1 3 338.392 2.974 10 30 EFEEHM C#Cc1ccc([N-]S(=O)(=O)c2cc(C3CC3)nn2C)c(Cl)c1 ZINC000901963559 1311247584 /nfs/dbraw/zinc/24/75/84/1311247584.db2.gz UMWQUNKSMLRYGU-UHFFFAOYSA-N -1 3 335.816 2.733 10 30 EFEEHM C#CCCOc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000901967461 1311255319 /nfs/dbraw/zinc/25/53/19/1311255319.db2.gz WOTVDBPMLFGQOW-HUUCEWRRSA-N -1 3 341.329 2.784 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC001159323764 1311494606 /nfs/dbraw/zinc/49/46/06/1311494606.db2.gz CWHJCLKNPZDEJY-AWEZNQCLSA-N -1 3 346.770 2.852 10 30 EFEEHM CCc1ccc(C#CC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001161426320 1311885029 /nfs/dbraw/zinc/88/50/29/1311885029.db2.gz NMJRVXPBEOMAOP-UHFFFAOYSA-N -1 3 335.342 2.558 10 30 EFEEHM CCc1ccc(C#CC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001161426320 1311885032 /nfs/dbraw/zinc/88/50/32/1311885032.db2.gz NMJRVXPBEOMAOP-UHFFFAOYSA-N -1 3 335.342 2.558 10 30 EFEEHM Cc1ccc(C(=O)NCC(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001161802284 1311976067 /nfs/dbraw/zinc/97/60/67/1311976067.db2.gz PMPWATPSNDYRNZ-UHFFFAOYSA-N -1 3 338.816 2.858 10 30 EFEEHM O=C(c1ccc(-n2ccnc2)nn1)N([O-])CCCCc1ccccc1 ZINC001161807056 1311978454 /nfs/dbraw/zinc/97/84/54/1311978454.db2.gz ASYYBORZSDDIFX-UHFFFAOYSA-N -1 3 337.383 2.517 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001161832474 1311983767 /nfs/dbraw/zinc/98/37/67/1311983767.db2.gz NRTVXALDTZIREC-LBPRGKRZSA-N -1 3 335.791 2.582 10 30 EFEEHM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(CC#N)c2)s1 ZINC001163319406 1312288720 /nfs/dbraw/zinc/28/87/20/1312288720.db2.gz IELBFXRBSRKRAX-UHFFFAOYSA-N -1 3 337.382 2.869 10 30 EFEEHM Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cc(=O)[n-]cn1 ZINC001164504115 1312528398 /nfs/dbraw/zinc/52/83/98/1312528398.db2.gz QZWYSJRNACPWET-UHFFFAOYSA-N -1 3 347.334 2.802 10 30 EFEEHM C=CCCOCC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001211421832 1314498059 /nfs/dbraw/zinc/49/80/59/1314498059.db2.gz HRPVUYZUVFATPQ-UHFFFAOYSA-N -1 3 338.454 2.681 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001213546856 1314572613 /nfs/dbraw/zinc/57/26/13/1314572613.db2.gz UILIJWOLRZSNCV-VIFPVBQESA-N -1 3 337.850 2.578 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(SCC#N)c2)[n-]n1 ZINC001413676370 1316253568 /nfs/dbraw/zinc/25/35/68/1316253568.db2.gz STDIPHMFQVLWJX-UHFFFAOYSA-N -1 3 344.396 2.843 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2cccc(SCC#N)c2)n[n-]1 ZINC001413676370 1316253570 /nfs/dbraw/zinc/25/35/70/1316253570.db2.gz STDIPHMFQVLWJX-UHFFFAOYSA-N -1 3 344.396 2.843 10 30 EFEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC001262962930 1316509697 /nfs/dbraw/zinc/50/96/97/1316509697.db2.gz AHPITAOBTBUWPR-SECBINFHSA-N -1 3 343.309 2.603 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001262990682 1316513554 /nfs/dbraw/zinc/51/35/54/1316513554.db2.gz KLUZWAQRIHIHDY-QJPTWQEYSA-N -1 3 347.854 2.918 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC001262990682 1316513556 /nfs/dbraw/zinc/51/35/56/1316513556.db2.gz KLUZWAQRIHIHDY-QJPTWQEYSA-N -1 3 347.854 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CCC(CCF)CC1 ZINC001263316701 1316529795 /nfs/dbraw/zinc/52/97/95/1316529795.db2.gz AVBQSVGCCTZANO-UHFFFAOYSA-N -1 3 346.410 2.593 10 30 EFEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000384140285 1316568544 /nfs/dbraw/zinc/56/85/44/1316568544.db2.gz FQUYBLLZAQXHJN-GFCCVEGCSA-N -1 3 334.210 2.668 10 30 EFEEHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3ccc(F)s3)n2)cc1 ZINC001265540876 1316823017 /nfs/dbraw/zinc/82/30/17/1316823017.db2.gz IRDNVRTVPAMOCV-UHFFFAOYSA-N -1 3 327.344 2.651 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001281160700 1318048374 /nfs/dbraw/zinc/04/83/74/1318048374.db2.gz VAPMTIIQPAHTAY-HOCLYGCPSA-N -1 3 342.439 2.880 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001281198316 1318091678 /nfs/dbraw/zinc/09/16/78/1318091678.db2.gz GBZDLDRGMNIMMY-USXIJHARSA-N -1 3 342.439 2.715 10 30 EFEEHM CC#CCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001281204373 1318098688 /nfs/dbraw/zinc/09/86/88/1318098688.db2.gz VNXSGWPBUWRSOH-WBVHZDCISA-N -1 3 342.439 2.695 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3ccccc3[O-])[C@H]2C1 ZINC001281203765 1318098739 /nfs/dbraw/zinc/09/87/39/1318098739.db2.gz ZDXMUTBEVQUQNW-BHYGNILZSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CCN1C(=O)c1ccccc1[O-] ZINC001282054976 1318686967 /nfs/dbraw/zinc/68/69/67/1318686967.db2.gz FODTXMSJCGILOM-IFXJQAMLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001283443575 1319701742 /nfs/dbraw/zinc/70/17/42/1319701742.db2.gz GPMNVYJYJZCFKX-LSDHHAIUSA-N -1 3 344.455 2.819 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001283443572 1319702148 /nfs/dbraw/zinc/70/21/48/1319702148.db2.gz GPMNVYJYJZCFKX-CABCVRRESA-N -1 3 344.455 2.819 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001283457126 1319719054 /nfs/dbraw/zinc/71/90/54/1319719054.db2.gz SWJVAFXAYPFGAM-GJZGRUSLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)CCC(=O)NCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001283791445 1320029796 /nfs/dbraw/zinc/02/97/96/1320029796.db2.gz MSYCPOPFIRZVCS-UHFFFAOYSA-N -1 3 330.428 2.859 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001284120323 1320209290 /nfs/dbraw/zinc/20/92/90/1320209290.db2.gz XTLSNKXBMDSTNX-AWEZNQCLSA-N -1 3 330.428 2.573 10 30 EFEEHM C#CCC1(C(=O)N(C)CCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001284496969 1320400611 /nfs/dbraw/zinc/40/06/11/1320400611.db2.gz KFDOXPNNRCFGAC-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001284832927 1320556051 /nfs/dbraw/zinc/55/60/51/1320556051.db2.gz FLGVCVYJUPIBPR-HNNXBMFYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001285308437 1320829183 /nfs/dbraw/zinc/82/91/83/1320829183.db2.gz STIXBNFVLPSQCI-OAHLLOKOSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286114084 1321244902 /nfs/dbraw/zinc/24/49/02/1321244902.db2.gz VAWPCSQTIJUGSO-YWZLYKJASA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCCC(=O)N1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001286138563 1321260152 /nfs/dbraw/zinc/26/01/52/1321260152.db2.gz XZUZZFVVKLHRHV-HNNXBMFYSA-N -1 3 330.428 2.859 10 30 EFEEHM C=CCC1(C(=O)N2CC([C@H](C)NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001286182498 1321287884 /nfs/dbraw/zinc/28/78/84/1321287884.db2.gz QCLZWVZEUCCDBA-AWEZNQCLSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CCC1(C(=O)N[C@@H](C)C2CN(C(=O)c3ccccc3[O-])C2)CCC1 ZINC001286211527 1321302986 /nfs/dbraw/zinc/30/29/86/1321302986.db2.gz GLKYVKKQCUUPRX-AWEZNQCLSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001286230710 1321313278 /nfs/dbraw/zinc/31/32/78/1321313278.db2.gz QNYCLOGGCQFIJQ-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001286230711 1321313584 /nfs/dbraw/zinc/31/35/84/1321313584.db2.gz QNYCLOGGCQFIJQ-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C[C@H](C)[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287344889 1321454171 /nfs/dbraw/zinc/45/41/71/1321454171.db2.gz QLRKDKRZNJHIMM-LSDHHAIUSA-N -1 3 344.455 2.913 10 30 EFEEHM C=C(C)CCC(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001287523216 1321483738 /nfs/dbraw/zinc/48/37/38/1321483738.db2.gz RBPIYUCQHGUCOH-INIZCTEOSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC1(C(=O)N[C@H]2CCN(C(=O)c3ccccc3[O-])[C@H]2C)CC1 ZINC001287857467 1321529875 /nfs/dbraw/zinc/52/98/75/1321529875.db2.gz VBGIHUBMPFSVHP-HOCLYGCPSA-N -1 3 342.439 2.858 10 30 EFEEHM C#CCCCCC(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001288471520 1321682216 /nfs/dbraw/zinc/68/22/16/1321682216.db2.gz MDCYSQIHBIPBNE-CVEARBPZSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001289933629 1321838857 /nfs/dbraw/zinc/83/88/57/1321838857.db2.gz LMKZEJHSHXLMOY-HUUCEWRRSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001295686777 1322749986 /nfs/dbraw/zinc/74/99/86/1322749986.db2.gz QXYNSPHIQUBUPE-LIRRHRJNSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)CCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001297520950 1323253816 /nfs/dbraw/zinc/25/38/16/1323253816.db2.gz CJTDIUJOONNMCF-UHFFFAOYSA-N -1 3 330.428 2.907 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)c2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001302373196 1324575555 /nfs/dbraw/zinc/57/55/55/1324575555.db2.gz CHNUMYYDQGNSJK-UHFFFAOYSA-N -1 3 334.291 2.738 10 30 EFEEHM C=CCCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)OC ZINC001303685774 1324617505 /nfs/dbraw/zinc/61/75/05/1324617505.db2.gz DZHXLGPBPRIPMI-ZDUSSCGKSA-N -1 3 329.318 2.932 10 30 EFEEHM N#Cc1cc(C(F)(F)F)cc(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001413909956 1330574934 /nfs/dbraw/zinc/57/49/34/1330574934.db2.gz SQHKMEMESVDRLM-UHFFFAOYSA-N -1 3 335.289 2.957 10 30 EFEEHM C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@H](C)N1CC#N ZINC001332718812 1331008382 /nfs/dbraw/zinc/00/83/82/1331008382.db2.gz VECJOGOPTIKOCH-VXGBXAGGSA-N -1 3 338.249 2.573 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001336866645 1331510204 /nfs/dbraw/zinc/51/02/04/1331510204.db2.gz NEEDIGGGTBHXSL-OAHLLOKOSA-N -1 3 330.428 2.571 10 30 EFEEHM C#C[C@H]1CCCCN1c1nnc(CCc2cccc(Cl)c2[O-])n1C ZINC001337868373 1331606738 /nfs/dbraw/zinc/60/67/38/1331606738.db2.gz AQBZAPCQPNUEEF-AWEZNQCLSA-N -1 3 344.846 2.951 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001339607199 1331911286 /nfs/dbraw/zinc/91/12/86/1331911286.db2.gz QHQJIEIZNDSYLH-AWEZNQCLSA-N -1 3 340.431 2.643 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339741830 1331948120 /nfs/dbraw/zinc/94/81/20/1331948120.db2.gz FZXQSPFJKJQAKM-JKSUJKDBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H](C)N(CC)C(=O)c2ccccc2[O-])C1 ZINC001340176818 1332149281 /nfs/dbraw/zinc/14/92/81/1332149281.db2.gz CWYAUMCAOKZDKB-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001340291277 1332168209 /nfs/dbraw/zinc/16/82/09/1332168209.db2.gz XHHJOAKKULWNJP-UHFFFAOYSA-N -1 3 328.412 2.637 10 30 EFEEHM C=CC(C)(C)C(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001340416613 1332190840 /nfs/dbraw/zinc/19/08/40/1332190840.db2.gz HDZBWYCTYHWVAZ-UHFFFAOYSA-N -1 3 342.439 2.883 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001341755139 1332282239 /nfs/dbraw/zinc/28/22/39/1332282239.db2.gz CGVPAYSRKZMUFB-GHMZBOCLSA-N -1 3 335.843 2.775 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C)[C@H](C)C1 ZINC001341755139 1332282242 /nfs/dbraw/zinc/28/22/42/1332282242.db2.gz CGVPAYSRKZMUFB-GHMZBOCLSA-N -1 3 335.843 2.775 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001344212348 1332428389 /nfs/dbraw/zinc/42/83/89/1332428389.db2.gz QQSOXBWFEDULKV-OKILXGFUSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001345994695 1332590825 /nfs/dbraw/zinc/59/08/25/1332590825.db2.gz UOSFOEDONIAREC-GHMZBOCLSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001345994695 1332590827 /nfs/dbraw/zinc/59/08/27/1332590827.db2.gz UOSFOEDONIAREC-GHMZBOCLSA-N -1 3 335.843 2.918 10 30 EFEEHM C=CC1CCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC2CC2)CC1 ZINC001346665768 1332670479 /nfs/dbraw/zinc/67/04/79/1332670479.db2.gz JDYBHVTUYUABHS-UHFFFAOYSA-N -1 3 333.827 2.529 10 30 EFEEHM C=CC1CCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC2CC2)CC1 ZINC001346665768 1332670484 /nfs/dbraw/zinc/67/04/84/1332670484.db2.gz JDYBHVTUYUABHS-UHFFFAOYSA-N -1 3 333.827 2.529 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001352094393 1333383507 /nfs/dbraw/zinc/38/35/07/1333383507.db2.gz XPBCSUBTWODUBW-LLVKDONJSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001352094393 1333383508 /nfs/dbraw/zinc/38/35/08/1333383508.db2.gz XPBCSUBTWODUBW-LLVKDONJSA-N -1 3 333.827 2.672 10 30 EFEEHM C=C1CCC(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001353204766 1334010251 /nfs/dbraw/zinc/01/02/51/1334010251.db2.gz PTYQDXUYVHTIPR-QGZVFWFLSA-N -1 3 342.439 2.763 10 30 EFEEHM C=C1CCC(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001353204764 1334010483 /nfs/dbraw/zinc/01/04/83/1334010483.db2.gz PTYQDXUYVHTIPR-KRWDZBQOSA-N -1 3 342.439 2.763 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(Cc2cccc(F)c2)CCCCC1 ZINC000848132358 1334345452 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EFEEHM C=C(Cl)C(C)(C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001380408633 1347652108 /nfs/dbraw/zinc/65/21/08/1347652108.db2.gz ZYYBGNOLOWSUEW-WDEREUQCSA-N -1 3 338.835 2.794 10 30 EFEEHM C[C@H](NC(=O)CCc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001420211275 1376561050 /nfs/dbraw/zinc/56/10/50/1376561050.db2.gz IMURALQXUOKFTO-VIFPVBQESA-N -1 3 337.305 2.505 10 30 EFEEHM C#CCOCCN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001457395401 1395097073 /nfs/dbraw/zinc/09/70/73/1395097073.db2.gz YJXIEVWYEXILEV-UHFFFAOYSA-N -1 3 337.419 2.899 10 30 EFEEHM NC(=O)c1ccccc1CCC(=O)N([O-])Cc1ccccc1Cl ZINC001457992262 1395393836 /nfs/dbraw/zinc/39/38/36/1395393836.db2.gz GUDVJBXRCKNXKT-UHFFFAOYSA-N -1 3 332.787 2.790 10 30 EFEEHM Cc1cn2c(ncc(C(=O)N([O-])Cc3ccccc3Cl)c2=O)s1 ZINC001457994046 1395394132 /nfs/dbraw/zinc/39/41/32/1395394132.db2.gz OYNHPBVELJJUQE-UHFFFAOYSA-N -1 3 349.799 2.749 10 30 EFEEHM O=C(c1ccnc(-n2cccn2)c1)N([O-])Cc1ccccc1Cl ZINC001457993882 1395394146 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C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)CC1 ZINC001464431391 1396574985 /nfs/dbraw/zinc/57/49/85/1396574985.db2.gz TXCCAJYBMDPWBF-MGCOHNPYSA-N -1 3 333.240 2.859 10 30 EFEEHM C#C[C@H](CCC)NC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001467757615 1396894028 /nfs/dbraw/zinc/89/40/28/1396894028.db2.gz WDNVCJASTHGXTD-LLVKDONJSA-N -1 3 347.212 2.822 10 30 EFEEHM C=C(C)CO[N-]C(=O)/C=C/c1ccc(I)o1 ZINC001469741066 1397053093 /nfs/dbraw/zinc/05/30/93/1397053093.db2.gz DLPRQCWZUQEVQZ-GQCTYLIASA-N -1 3 333.125 2.521 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2cc(Br)ccc2F)CCC1 ZINC001475710786 1397451068 /nfs/dbraw/zinc/45/10/68/1397451068.db2.gz HYMNOCQKBQHTOH-UHFFFAOYSA-N -1 3 346.221 2.813 10 30 EFEEHM C=CCC1(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C2CC2)CCC1 ZINC001493683441 1398805175 /nfs/dbraw/zinc/80/51/75/1398805175.db2.gz DXRLAIRUZKEKKV-INIZCTEOSA-N -1 3 342.439 2.763 10 30 EFEEHM C=CCCC(=O)N1CCC[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001494130047 1399152440 /nfs/dbraw/zinc/15/24/40/1399152440.db2.gz JGEGZDOXWSXBDY-NVXWUHKLSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494307521 1399271825 /nfs/dbraw/zinc/27/18/25/1399271825.db2.gz GTTWWMPMFMZLDG-FOIQADDNSA-N -1 3 344.455 2.963 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001495751098 1400229373 /nfs/dbraw/zinc/22/93/73/1400229373.db2.gz LWECEECJNPMSBY-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCC(C)(C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001497204741 1401217704 /nfs/dbraw/zinc/21/77/04/1401217704.db2.gz SBCHOTHFZRRJIH-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001500439692 1403123997 /nfs/dbraw/zinc/12/39/97/1403123997.db2.gz GMOAMJVWNLHAER-AWEZNQCLSA-N -1 3 332.444 2.865 10 30 EFEEHM C#CCCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001500650176 1403267611 /nfs/dbraw/zinc/26/76/11/1403267611.db2.gz LIIIYZYKZCZCCL-DOTOQJQBSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001505457830 1404670642 /nfs/dbraw/zinc/67/06/42/1404670642.db2.gz OHCXTMUCQUJWME-HOCLYGCPSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001506246449 1405574032 /nfs/dbraw/zinc/57/40/32/1405574032.db2.gz XCUWHPRJVYMCIT-FQEVSTJZSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CCCCC(=O)N1CCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001508322730 1407423040 /nfs/dbraw/zinc/42/30/40/1407423040.db2.gz ZFVAMLXXLJAPPJ-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509380123 1407951839 /nfs/dbraw/zinc/95/18/39/1407951839.db2.gz HDGMJXOXHJMBGN-ZIAGYGMSSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C1CCC(C(=O)N[C@H](C)CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001510457980 1412697499 /nfs/dbraw/zinc/69/74/99/1412697499.db2.gz JVAUXIUVZOVIDW-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N[C@@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001511892206 1413185587 /nfs/dbraw/zinc/18/55/87/1413185587.db2.gz QZHUMURBCUKVOB-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM O=C(c1cc[nH]c(=O)c1Br)N([O-])Cc1ccc(F)cc1 ZINC001559036920 1415219597 /nfs/dbraw/zinc/21/95/97/1415219597.db2.gz BKEJLIGZSVYFQP-UHFFFAOYSA-N -1 3 341.136 2.720 10 30 EFEEHM O=C(c1ccc(OCC(F)F)nc1)N([O-])Cc1ccc(F)cc1 ZINC001559037373 1415219480 /nfs/dbraw/zinc/21/94/80/1415219480.db2.gz UNBYNGQWMQLISV-UHFFFAOYSA-N -1 3 326.274 2.896 10 30 EFEEHM CC(C)(C)OC(=O)N(CC(=O)N([O-])Cc1ccc(F)cc1)C1CC1 ZINC001559037209 1415219945 /nfs/dbraw/zinc/21/99/45/1415219945.db2.gz NQULGVSVTDOQTP-UHFFFAOYSA-N -1 3 338.379 2.943 10 30 EFEEHM Cn1cc(-c2n[nH]cc2C(=O)N([O-])Cc2cccc3ccccc32)cn1 ZINC001559036416 1415220191 /nfs/dbraw/zinc/22/01/91/1415220191.db2.gz HSRIGDBKISXREL-UHFFFAOYSA-N -1 3 347.378 2.995 10 30 EFEEHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001561564709 1415318758 /nfs/dbraw/zinc/31/87/58/1415318758.db2.gz XJENANQDDBMGTK-UHFFFAOYSA-N -1 3 331.850 2.835 10 30 EFEEHM C=CCCCC(=O)N1CCC2(C[C@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001687920847 1416899447 /nfs/dbraw/zinc/89/94/47/1416899447.db2.gz INXQZQOUIGHJID-QGZVFWFLSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CC(C)(C)C(=O)NCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC001688527243 1416981723 /nfs/dbraw/zinc/98/17/23/1416981723.db2.gz GOVHIPQRGRAGHS-UHFFFAOYSA-N -1 3 332.444 2.961 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001704392522 1417922412 /nfs/dbraw/zinc/92/24/12/1417922412.db2.gz SDCCFMZVIRYRTF-IBGZPJMESA-N -1 3 330.428 2.715 10 30 EFEEHM C=C1CCC(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001704758110 1418119798 /nfs/dbraw/zinc/11/97/98/1418119798.db2.gz DTBRMSMPRAOMKS-CQSZACIVSA-N -1 3 330.428 2.621 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C(C)C)C1 ZINC001704865457 1418191507 /nfs/dbraw/zinc/19/15/07/1418191507.db2.gz NAVGGZREDGIKSG-OAHLLOKOSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@H](CC)CC(=O)N[C@@H](C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001718286233 1422181620 /nfs/dbraw/zinc/18/16/20/1422181620.db2.gz UVAVSNGZNSBKCM-UONOGXRCSA-N -1 3 330.428 2.571 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001718500738 1422319083 /nfs/dbraw/zinc/31/90/83/1422319083.db2.gz FHJVVOUORHZLCH-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM CCCCCCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001718726152 1422444015 /nfs/dbraw/zinc/44/40/15/1422444015.db2.gz JDZCQSAIOLSGBN-HUUCEWRRSA-N -1 3 349.479 2.665 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001718833621 1422490279 /nfs/dbraw/zinc/49/02/79/1422490279.db2.gz NNUVELSFJCCCAD-NFOMZHRRSA-N -1 3 330.428 2.714 10 30 EFEEHM C#CCCCC(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001718962369 1422580520 /nfs/dbraw/zinc/58/05/20/1422580520.db2.gz NFKFUMQJHCBIDE-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCCC(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001718972621 1422591824 /nfs/dbraw/zinc/59/18/24/1422591824.db2.gz AQBCZJAFDGRCAA-UHFFFAOYSA-N -1 3 328.412 2.637 10 30 EFEEHM C#CCC1(C(=O)N(CC)CCCNC(=O)c2ccccc2[O-])CCC1 ZINC001720588208 1423055766 /nfs/dbraw/zinc/05/57/66/1423055766.db2.gz SEBYWDIPYUIXAN-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CCC1(C(=O)NCC[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001721028865 1423401375 /nfs/dbraw/zinc/40/13/75/1423401375.db2.gz FEXXOLWMBLNNOM-CQSZACIVSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001721177510 1423511722 /nfs/dbraw/zinc/51/17/22/1423511722.db2.gz ZLMMBVYNXCWYGA-HUUCEWRRSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)CCC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721302446 1423634487 /nfs/dbraw/zinc/63/44/87/1423634487.db2.gz ORZKNAORNZKGPA-OAHLLOKOSA-N -1 3 330.428 2.669 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001721688075 1423930105 /nfs/dbraw/zinc/93/01/05/1423930105.db2.gz POFYNNVNISXYJV-HNAYVOBHSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCCC(=O)N1C[C@@H]2CC[C@H](NC(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001726200651 1426153567 /nfs/dbraw/zinc/15/35/67/1426153567.db2.gz ZLCBWDJOENMCGW-JYJNAYRXSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC000936437322 715521443 /nfs/dbraw/zinc/52/14/43/715521443.db2.gz ASGODMUNJGKHTQ-STQMWFEESA-N -1 3 348.830 2.596 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000893729055 720058320 /nfs/dbraw/zinc/05/83/20/720058320.db2.gz YSPYGWUWFFIHLH-OAHLLOKOSA-N -1 3 329.318 2.628 10 30 EFEEHM C=C(C)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000728726093 724145946 /nfs/dbraw/zinc/14/59/46/724145946.db2.gz BSCSWFPRBZYYMI-UHFFFAOYSA-N -1 3 338.360 2.688 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000908462096 727190506 /nfs/dbraw/zinc/19/05/06/727190506.db2.gz JQVSLRSZGAELAX-UHFFFAOYSA-N -1 3 338.307 2.857 10 30 EFEEHM C[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](C)N1CC#N ZINC000911709096 727585866 /nfs/dbraw/zinc/58/58/66/727585866.db2.gz GSHHRTOVFRMYOP-TXEJJXNPSA-N -1 3 329.425 2.665 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC(C)(CC)CC)ccc1F ZINC000733111329 727697726 /nfs/dbraw/zinc/69/77/26/727697726.db2.gz SZDNWNIXKOVGRN-UHFFFAOYSA-N -1 3 342.436 2.599 10 30 EFEEHM N#CC1(c2ccc(C(=O)Nc3cccc(Cc4nnn[n-]4)c3)cc2)CC1 ZINC001570109355 1085957011 /nfs/dbraw/zinc/95/70/11/1085957011.db2.gz SSYSQRKSBMDQCI-UHFFFAOYSA-N -1 3 344.378 2.598 10 30 EFEEHM N#CC1(c2ccc(C(=O)Nc3cccc(Cc4nn[n-]n4)c3)cc2)CC1 ZINC001570109355 1085957021 /nfs/dbraw/zinc/95/70/21/1085957021.db2.gz SSYSQRKSBMDQCI-UHFFFAOYSA-N -1 3 344.378 2.598 10 30 EFEEHM C=CC(C)(C)C(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001571709402 1087081409 /nfs/dbraw/zinc/08/14/09/1087081409.db2.gz KGLLVDMBBCNVGK-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=CCCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3[O-])C[C@H]2C1 ZINC001572025681 1087262854 /nfs/dbraw/zinc/26/28/54/1087262854.db2.gz MDAVNJGHFXLJRY-ARFHVFGLSA-N -1 3 342.439 2.715 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001572030267 1087266793 /nfs/dbraw/zinc/26/67/93/1087266793.db2.gz GLWHPHPKTXFZJT-CABCVRRESA-N -1 3 330.428 2.906 10 30 EFEEHM C=CCCCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001572208483 1087393266 /nfs/dbraw/zinc/39/32/66/1087393266.db2.gz HBXFJZZJOASRAV-MRXNPFEDSA-N -1 3 330.428 2.715 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001572618405 1087566486 /nfs/dbraw/zinc/56/64/86/1087566486.db2.gz YIHXWQMRSQASNL-HOTGVXAUSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC001646623545 1087942582 /nfs/dbraw/zinc/94/25/82/1087942582.db2.gz IAKMKMQMJSYRAD-DEOSSOPVSA-N -1 3 344.371 2.950 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC001646623545 1087942586 /nfs/dbraw/zinc/94/25/86/1087942586.db2.gz IAKMKMQMJSYRAD-DEOSSOPVSA-N -1 3 344.371 2.950 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC001646623545 1087942596 /nfs/dbraw/zinc/94/25/96/1087942596.db2.gz IAKMKMQMJSYRAD-DEOSSOPVSA-N -1 3 344.371 2.950 10 30 EFEEHM C#CCCCCC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001580211992 1090813902 /nfs/dbraw/zinc/81/39/02/1090813902.db2.gz XWZAAQYHRIEOOQ-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCC1(C(=O)NC[C@H](CC)NC(=O)c2ccccc2[O-])CCC1 ZINC001582553400 1091541706 /nfs/dbraw/zinc/54/17/06/1091541706.db2.gz MCDROJQYAKZPKR-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001582741972 1091651622 /nfs/dbraw/zinc/65/16/22/1091651622.db2.gz JFPADGMGIGVQRY-MRXNPFEDSA-N -1 3 342.439 2.881 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001582965815 1091835367 /nfs/dbraw/zinc/83/53/67/1091835367.db2.gz BMOQNOSYVMTFQN-DZGCQCFKSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001582978754 1091856652 /nfs/dbraw/zinc/85/66/52/1091856652.db2.gz OKDMNCXPNAYARO-ZFWWWQNUSA-N -1 3 330.428 2.619 10 30 EFEEHM O=C(CC(F)(F)C(F)(F)F)[N-]Cc1ncc(C(F)(F)F)cn1 ZINC001583223098 1091936388 /nfs/dbraw/zinc/93/63/88/1091936388.db2.gz OKFKXUMCZUXCDZ-UHFFFAOYSA-N -1 3 337.170 2.699 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nn1 ZINC001585679386 1092542150 /nfs/dbraw/zinc/54/21/50/1092542150.db2.gz RMBLOTBRPFKTBP-UHFFFAOYSA-N -1 3 340.412 2.549 10 30 EFEEHM N#Cc1cccc([C@H](NC(=O)c2cccc3n[n-]nc32)C(F)(F)F)c1 ZINC001650792725 1093494344 /nfs/dbraw/zinc/49/43/44/1093494344.db2.gz QILKXCUUZSNZCF-AWEZNQCLSA-N -1 3 345.284 2.863 10 30 EFEEHM CCC(C)(CC)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001651221241 1093540654 /nfs/dbraw/zinc/54/06/54/1093540654.db2.gz SPQAXHFEPNXALH-UHFFFAOYSA-N -1 3 332.400 2.717 10 30 EFEEHM N#Cc1ccc(C(=O)[N-]c2nnc([C@@H]3CCCO3)s2)nc1Cl ZINC001597525552 1094596056 /nfs/dbraw/zinc/59/60/56/1094596056.db2.gz TZLWPXTYHYZXTN-VIFPVBQESA-N -1 3 335.776 2.562 10 30 EFEEHM CN(CC#Cc1ccc(F)cc1)CCN(C)C(=O)c1ccccc1[O-] ZINC001268231221 1096137413 /nfs/dbraw/zinc/13/74/13/1096137413.db2.gz YYAZIUKYZPAZIF-UHFFFAOYSA-N -1 3 340.398 2.587 10 30 EFEEHM C#Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)cc1 ZINC001606620998 1097431022 /nfs/dbraw/zinc/43/10/22/1097431022.db2.gz FEQFNSGIEWLLMM-UHFFFAOYSA-N -1 3 333.347 2.973 10 30 EFEEHM CCOC(=O)N(C)CCCC(=O)N([O-])Cc1ccccc1Cl ZINC001611650851 1099027410 /nfs/dbraw/zinc/02/74/10/1099027410.db2.gz NDIQDIOLOYROHT-UHFFFAOYSA-N -1 3 328.796 2.926 10 30 EFEEHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)N1CCc2ccccc2C1 ZINC001611662736 1099028214 /nfs/dbraw/zinc/02/82/14/1099028214.db2.gz UHHIJNHXHYJTBT-CQSZACIVSA-N -1 3 328.387 2.990 10 30 EFEEHM Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)c(C#N)cc1[N+](=O)[O-] ZINC001612913046 1099084267 /nfs/dbraw/zinc/08/42/67/1099084267.db2.gz NTXCGZQJXIDFIJ-UHFFFAOYSA-N -1 3 325.328 2.760 10 30 EFEEHM C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001612974410 1099086711 /nfs/dbraw/zinc/08/67/11/1099086711.db2.gz PFDSSFXQHOSXBW-ZCFIWIBFSA-N -1 3 326.238 2.776 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)nn1 ZINC001618479165 1099300062 /nfs/dbraw/zinc/30/00/62/1099300062.db2.gz MVRFVCQUKWNYIC-VOTSOKGWSA-N -1 3 342.384 2.721 10 30 EFEEHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccccc1 ZINC001621940301 1099462167 /nfs/dbraw/zinc/46/21/67/1099462167.db2.gz HAYJVDXSCNDBQH-GFCCVEGCSA-N -1 3 338.791 2.917 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1sc(Br)cc1C)C(C)C ZINC001622082119 1099476229 /nfs/dbraw/zinc/47/62/29/1099476229.db2.gz AXTPLQDIBVKCOX-SECBINFHSA-N -1 3 336.276 2.755 10 30 EFEEHM C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001623826412 1099632116 /nfs/dbraw/zinc/63/21/16/1099632116.db2.gz LQXHJMWAZPDBFE-UHFFFAOYSA-N -1 3 338.363 2.763 10 30 EFEEHM C=CCC[C@H](CO)NC(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC001623970030 1099645900 /nfs/dbraw/zinc/64/59/00/1099645900.db2.gz YXYGTIDQVUAICD-SNVBAGLBSA-N -1 3 341.433 2.547 10 30 EFEEHM C=CCN(CC=C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001624103046 1099660593 /nfs/dbraw/zinc/66/05/93/1099660593.db2.gz AIZUBAVXWFTFTO-UHFFFAOYSA-N -1 3 328.821 2.526 10 30 EFEEHM C=CCO[C@H]1CCN(C(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001631482712 1100402912 /nfs/dbraw/zinc/40/29/12/1100402912.db2.gz GZJQVYNAFWVXIN-NSHDSACASA-N -1 3 332.787 2.599 10 30 EFEEHM CC#CC[C@@H](CO)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001632078806 1100452041 /nfs/dbraw/zinc/45/20/41/1100452041.db2.gz RUPUUVXSKGZVPX-AWEZNQCLSA-N -1 3 325.364 2.689 10 30 EFEEHM N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC001635013271 1100640469 /nfs/dbraw/zinc/64/04/69/1100640469.db2.gz DMJFQGOVKGRHHW-MRXNPFEDSA-N -1 3 325.343 2.890 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC001636352763 1100715383 /nfs/dbraw/zinc/71/53/83/1100715383.db2.gz LQCUNTCYVRWGAK-CVEARBPZSA-N -1 3 344.798 2.578 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC001637667489 1100797722 /nfs/dbraw/zinc/79/77/22/1100797722.db2.gz GEKXPAQHGBEFKY-MRXNPFEDSA-N -1 3 344.342 2.728 10 30 EFEEHM C[C@@H]1CC[C@@H](CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1 ZINC001639050176 1100907429 /nfs/dbraw/zinc/90/74/29/1100907429.db2.gz RFOUMJKEZHMERU-ZIAGYGMSSA-N -1 3 344.411 2.717 10 30 EFEEHM CCCCCCN([O-])C(=O)Cc1c(C)nc2c(c(=O)[nH]n2C)c1C ZINC001639062280 1100909498 /nfs/dbraw/zinc/90/94/98/1100909498.db2.gz IFONREYDVAMBTC-UHFFFAOYSA-N -1 3 334.420 2.631 10 30 EFEEHM CCCCN([O-])C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC001639072059 1100910264 /nfs/dbraw/zinc/91/02/64/1100910264.db2.gz RPDYSQNMFGXKQL-LBPRGKRZSA-N -1 3 332.466 2.747 10 30 EFEEHM N#Cc1cccc(-c2nc([N-]C(=O)c3csc([N+](=O)[O-])c3)n[nH]2)c1 ZINC001639132161 1100917100 /nfs/dbraw/zinc/91/71/00/1100917100.db2.gz XLJFKLHUMJTCFX-UHFFFAOYSA-N -1 3 340.324 2.565 10 30 EFEEHM N#Cc1c[nH]nc1[N-]C(=O)c1c(F)ccc(Br)c1F ZINC001639698253 1100975260 /nfs/dbraw/zinc/97/52/60/1100975260.db2.gz UBZYDLQNUPOFGE-UHFFFAOYSA-N -1 3 327.088 2.574 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC001640208617 1101023685 /nfs/dbraw/zinc/02/36/85/1101023685.db2.gz RIMMIRDAQCHIHR-QHCPKHFHSA-N -1 3 326.381 2.811 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC001640208617 1101023693 /nfs/dbraw/zinc/02/36/93/1101023693.db2.gz RIMMIRDAQCHIHR-QHCPKHFHSA-N -1 3 326.381 2.811 10 30 EFEEHM C=CC[S@@](=O)(=NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001640208617 1101023699 /nfs/dbraw/zinc/02/36/99/1101023699.db2.gz RIMMIRDAQCHIHR-QHCPKHFHSA-N -1 3 326.381 2.811 10 30 EFEEHM C=CC(C)(C)NC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC001640305428 1101033993 /nfs/dbraw/zinc/03/39/93/1101033993.db2.gz GWZAMYPIVNNVQA-UHFFFAOYSA-N -1 3 329.356 2.635 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(-c2c(F)cccc2F)c1 ZINC001641521423 1101143079 /nfs/dbraw/zinc/14/30/79/1101143079.db2.gz OMUXFBCZKMQXPM-OAHLLOKOSA-N -1 3 346.333 2.742 10 30 EFEEHM CCOC(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)nc1 ZINC001641862031 1101170247 /nfs/dbraw/zinc/17/02/47/1101170247.db2.gz PHBWGMRBOYDSAP-UHFFFAOYSA-N -1 3 334.759 2.943 10 30 EFEEHM CCCCN([O-])C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC001641871497 1101171619 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EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(C)ns1)c1ccc(Cl)cc1F ZINC001655295616 1101805280 /nfs/dbraw/zinc/80/52/80/1101805280.db2.gz NMELMXPAKXBSDG-LBPRGKRZSA-N -1 3 344.820 2.897 10 30 EFEEHM N#Cc1ccc(OCCCN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001655491458 1101836675 /nfs/dbraw/zinc/83/66/75/1101836675.db2.gz HBEQRZFIOICITR-UHFFFAOYSA-N -1 3 336.395 2.716 10 30 EFEEHM C=C(C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])c1ccccc1 ZINC001655553139 1101847095 /nfs/dbraw/zinc/84/70/95/1101847095.db2.gz RFTFPIMLZOFECF-UHFFFAOYSA-N -1 3 338.410 2.956 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1cscn1)c1ccc(Cl)cc1F ZINC001661920911 1103504969 /nfs/dbraw/zinc/50/49/69/1103504969.db2.gz XOMDGUVMIJGQMH-NSHDSACASA-N -1 3 330.793 2.588 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1F)c1ccc(F)cc1 ZINC001669360060 1105475718 /nfs/dbraw/zinc/47/57/18/1105475718.db2.gz KSTWDVRCSOVNAL-NSHDSACASA-N -1 3 342.754 2.666 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233972 1106545475 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COC(=O)c1nc(C(=O)N([O-])CCCCc2ccccc2)cs1 ZINC000904192258 1107704916 /nfs/dbraw/zinc/70/49/16/1107704916.db2.gz GAJHABYMRUVOID-UHFFFAOYSA-N -1 3 334.397 2.784 10 30 EFEEHM CC(C)CS(=O)(=O)CCC(=O)N([O-])CCCCc1ccccc1 ZINC000904200877 1107713278 /nfs/dbraw/zinc/71/32/78/1107713278.db2.gz HSUWOERHEDIMGL-UHFFFAOYSA-N -1 3 341.473 2.688 10 30 EFEEHM CCCCN([O-])C(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000904215514 1107719297 /nfs/dbraw/zinc/71/92/97/1107719297.db2.gz BCBXNYQGHLCTCK-UHFFFAOYSA-N -1 3 329.194 2.577 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001680459162 1107873976 /nfs/dbraw/zinc/87/39/76/1107873976.db2.gz VPTRVUBLSMXHEO-RHSMWYFYSA-N -1 3 342.439 2.880 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001682123878 1108577229 /nfs/dbraw/zinc/57/72/29/1108577229.db2.gz IWFGQLGAQFVPHA-HUUCEWRRSA-N -1 3 344.455 2.819 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C ZINC001682123879 1108577785 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C=CCC[C@H](CN1CCC(C(=O)[O-])CC1)Oc1ncc(Cl)cn1 ZINC000072458893 216244548 /nfs/dbraw/zinc/24/45/48/216244548.db2.gz DINUYXORWGECOF-CQSZACIVSA-N -1 3 339.823 2.640 10 30 EFEEHM N#C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCN1Cc1ccccc1 ZINC000245513820 240256203 /nfs/dbraw/zinc/25/62/03/240256203.db2.gz AYXHGIVMRMUEFM-GOSISDBHSA-N -1 3 325.387 2.741 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000328637132 241212019 /nfs/dbraw/zinc/21/20/19/241212019.db2.gz ANVOMBCVAARRHO-QGHHPUGFSA-N -1 3 334.395 2.979 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000328637132 241212028 /nfs/dbraw/zinc/21/20/28/241212028.db2.gz ANVOMBCVAARRHO-QGHHPUGFSA-N -1 3 334.395 2.979 10 30 EFEEHM C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000328637132 241212030 /nfs/dbraw/zinc/21/20/30/241212030.db2.gz ANVOMBCVAARRHO-QGHHPUGFSA-N -1 3 334.395 2.979 10 30 EFEEHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000329528364 241388154 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Cn1cc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000442817348 250126624 /nfs/dbraw/zinc/12/66/24/250126624.db2.gz ZKHXISAGFXIULN-UHFFFAOYSA-N -1 3 325.246 2.753 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000443071150 250157655 /nfs/dbraw/zinc/15/76/55/250157655.db2.gz MURIGFSHFDCDHE-INIZCTEOSA-N -1 3 342.420 2.896 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443077626 250158676 /nfs/dbraw/zinc/15/86/76/250158676.db2.gz ZKECQMWTTNVNLG-HNNXBMFYSA-N -1 3 346.383 2.726 10 30 EFEEHM N#CCCCCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444176154 250268652 /nfs/dbraw/zinc/26/86/52/250268652.db2.gz NTFPUKSLNODFNW-UHFFFAOYSA-N -1 3 348.200 2.714 10 30 EFEEHM COCCOc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1OC ZINC000444298565 250283390 /nfs/dbraw/zinc/28/33/90/250283390.db2.gz YABBICMIXGEMJE-UHFFFAOYSA-N -1 3 342.351 2.550 10 30 EFEEHM COc1ccc(Cl)cc1[C@@H](CC(C)C)[N-]S(=O)(=O)CC#N ZINC000095439711 218383947 /nfs/dbraw/zinc/38/39/47/218383947.db2.gz BAICJSBGKJTVNX-CYBMUJFWSA-N -1 3 330.837 2.879 10 30 EFEEHM C#Cc1cccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000192518228 533348481 /nfs/dbraw/zinc/34/84/81/533348481.db2.gz PGGFKXDDPIIUEG-KSSFIOAISA-N -1 3 331.437 2.805 10 30 EFEEHM C[C@H](CC#N)N(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000161746510 533602703 /nfs/dbraw/zinc/60/27/03/533602703.db2.gz JZQKBTIXSIVELV-SNVBAGLBSA-N -1 3 328.397 2.979 10 30 EFEEHM N#Cc1ccsc1C(=O)[N-]c1ccccc1SCCC(N)=O ZINC000108721999 141360048 /nfs/dbraw/zinc/36/00/48/141360048.db2.gz CEJRQGXNKPSBGM-UHFFFAOYSA-N -1 3 331.422 2.840 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2n1 ZINC000350730245 146084771 /nfs/dbraw/zinc/08/47/71/146084771.db2.gz RGOFWSWKBCDVCD-UHFFFAOYSA-N -1 3 346.799 2.969 10 30 EFEEHM CC(=C([O-])Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(F)(F)F ZINC000360247790 148310691 /nfs/dbraw/zinc/31/06/91/148310691.db2.gz BWKKQAOKQHTMLR-QMMMGPOBSA-N -1 3 342.708 2.956 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCC2)C[C@@H]1C ZINC000372884885 151076414 /nfs/dbraw/zinc/07/64/14/151076414.db2.gz GXCFDPIVHBFABX-LBPRGKRZSA-N -1 3 327.428 2.999 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(F)c1 ZINC000170940670 544863193 /nfs/dbraw/zinc/86/31/93/544863193.db2.gz VRGQDTBFSNTJKM-UHFFFAOYSA-N -1 3 344.289 2.593 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC(F)(F)C1 ZINC000488995078 270030057 /nfs/dbraw/zinc/03/00/57/270030057.db2.gz SWMWAQFKARXGBL-LBPRGKRZSA-N -1 3 337.370 2.902 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cscn2)no1 ZINC000278613642 267627205 /nfs/dbraw/zinc/62/72/05/267627205.db2.gz GTJYQWGBFCVJCC-UHFFFAOYSA-N -1 3 327.369 2.567 10 30 EFEEHM Cc1sc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c(C#N)c1C ZINC000505368009 268109315 /nfs/dbraw/zinc/10/93/15/268109315.db2.gz GTEQBGGWOYNYFB-UHFFFAOYSA-N -1 3 340.451 2.954 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)s1 ZINC000528499975 268260020 /nfs/dbraw/zinc/26/00/20/268260020.db2.gz DIIZPHJCSCWOEJ-HNNXBMFYSA-N -1 3 333.438 2.834 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000295805052 268331376 /nfs/dbraw/zinc/33/13/76/268331376.db2.gz SVLWIQKCMWJGEW-QWRGUYRKSA-N -1 3 347.362 2.743 10 30 EFEEHM N#CC1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCCC1 ZINC000443161487 303146924 /nfs/dbraw/zinc/14/69/24/303146924.db2.gz KXURKUZUHWWVPP-UHFFFAOYSA-N -1 3 333.335 2.605 10 30 EFEEHM N#Cc1ccc(CNC2(c3nn[n-]n3)CCCC2)c(C(F)(F)F)c1 ZINC000356428201 303191182 /nfs/dbraw/zinc/19/11/82/303191182.db2.gz ZACOSRNMTQZOOY-UHFFFAOYSA-N -1 3 336.321 2.649 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 ZINC000583847745 324880889 /nfs/dbraw/zinc/88/08/89/324880889.db2.gz GLMRNHYPIRDQIU-DDFAGTSDSA-N -1 3 330.331 2.654 10 30 EFEEHM O=c1[n-]nc(SCC#Cc2ccccc2Cl)n1C[C@@H]1CCCO1 ZINC000162718991 473374865 /nfs/dbraw/zinc/37/48/65/473374865.db2.gz XLKZOJXOBZACIP-ZDUSSCGKSA-N -1 3 349.843 2.548 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000625328557 479868768 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CC(C)CC(=O)N[C@H](C(=O)Nc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC000076946954 472430521 /nfs/dbraw/zinc/43/05/21/472430521.db2.gz WVWVNZODRORPCY-VIFPVBQESA-N -1 3 335.330 2.598 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000076961054 472434359 /nfs/dbraw/zinc/43/43/59/472434359.db2.gz QOPHMMNSTZJDRS-ZETCQYMHSA-N -1 3 349.313 2.669 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000076961054 472434363 /nfs/dbraw/zinc/43/43/63/472434363.db2.gz QOPHMMNSTZJDRS-ZETCQYMHSA-N -1 3 349.313 2.669 10 30 EFEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000116905508 472446768 /nfs/dbraw/zinc/44/67/68/472446768.db2.gz UUVKMLBCBMMVLM-SECBINFHSA-N -1 3 334.235 2.701 10 30 EFEEHM N#Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)c1 ZINC000032873547 472475561 /nfs/dbraw/zinc/47/55/61/472475561.db2.gz BLGHKVDEMGHFKL-UHFFFAOYSA-N -1 3 325.353 2.667 10 30 EFEEHM N#Cc1cccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)c1 ZINC000032873547 472475566 /nfs/dbraw/zinc/47/55/66/472475566.db2.gz 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475664810 /nfs/dbraw/zinc/66/48/10/475664810.db2.gz VUWIBTDLXRKFJR-HNNXBMFYSA-N -1 3 340.420 2.517 10 30 EFEEHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1nccc2ccccc21 ZINC000338690069 476114005 /nfs/dbraw/zinc/11/40/05/476114005.db2.gz YYBSFVRUNUXUKT-KRWDZBQOSA-N -1 3 340.346 2.701 10 30 EFEEHM Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3ccccc3C#N)[n-]2)o1 ZINC000359014725 476115154 /nfs/dbraw/zinc/11/51/54/476115154.db2.gz MFCHSYVJSAQGGC-LLVKDONJSA-N -1 3 337.339 2.651 10 30 EFEEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H](C)Oc3ccccc3C#N)n2)o1 ZINC000359014725 476115164 /nfs/dbraw/zinc/11/51/64/476115164.db2.gz MFCHSYVJSAQGGC-LLVKDONJSA-N -1 3 337.339 2.651 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccccc3C#N)n[n-]2)o1 ZINC000359014725 476115172 /nfs/dbraw/zinc/11/51/72/476115172.db2.gz MFCHSYVJSAQGGC-LLVKDONJSA-N -1 3 337.339 2.651 10 30 EFEEHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2cncc(C#N)c2)c1F ZINC000357070083 476205087 /nfs/dbraw/zinc/20/50/87/476205087.db2.gz ITUHJEULMWMSNQ-UHFFFAOYSA-N -1 3 343.742 2.994 10 30 EFEEHM C=CCN1C(=O)c2ccc(-c3nc(-c4ccc([O-])cc4)no3)cc2C1=O ZINC000350573465 476250566 /nfs/dbraw/zinc/25/05/66/476250566.db2.gz GQPYMEWBPIDCMY-UHFFFAOYSA-N -1 3 347.330 2.891 10 30 EFEEHM N#Cc1ccc(-n2ccc(NC(=O)c3cccc([O-])c3)n2)c(Cl)c1 ZINC000360741647 476360417 /nfs/dbraw/zinc/36/04/17/476360417.db2.gz XSQUACNUTQMENJ-UHFFFAOYSA-N -1 3 338.754 2.777 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)cc1Cl ZINC000352346930 476652200 /nfs/dbraw/zinc/65/22/00/476652200.db2.gz UJALFPSIUVJRTI-UHFFFAOYSA-N -1 3 338.738 2.832 10 30 EFEEHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000445697437 476760063 /nfs/dbraw/zinc/76/00/63/476760063.db2.gz PYUSUMRGUOQMEB-GFCCVEGCSA-N -1 3 338.326 2.953 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416558393 477216347 /nfs/dbraw/zinc/21/63/47/477216347.db2.gz IJHRYKQQMDBKIY-UHFFFAOYSA-N -1 3 332.347 2.800 10 30 EFEEHM C=CCNC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2[O-])cc1 ZINC000436836521 477608155 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C=CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000451814411 478213526 /nfs/dbraw/zinc/21/35/26/478213526.db2.gz UEYOUBRBUCYQOA-UHFFFAOYSA-N -1 3 331.821 2.617 10 30 EFEEHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CC2(C#N)CC2)[nH][n-]1 ZINC000590666091 478281449 /nfs/dbraw/zinc/28/14/49/478281449.db2.gz DWWTYERIUPXXNT-UHFFFAOYSA-N -1 3 330.775 2.793 10 30 EFEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764615 478327217 /nfs/dbraw/zinc/32/72/17/478327217.db2.gz FBNSJHCTCYHUKH-UHFFFAOYSA-N -1 3 348.346 2.526 10 30 EFEEHM CC(C)N(CCC#N)C(=O)Cc1ccc(Br)cc1[O-] ZINC000579979212 478350766 /nfs/dbraw/zinc/35/07/66/478350766.db2.gz BHMDMZLVVKTOIK-UHFFFAOYSA-N -1 3 325.206 2.848 10 30 EFEEHM CCN=c1[n-]c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594423040 478377280 /nfs/dbraw/zinc/37/72/80/478377280.db2.gz PPZHKKZZLUQPSV-UHFFFAOYSA-N -1 3 326.425 2.678 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000600496467 478392768 /nfs/dbraw/zinc/39/27/68/478392768.db2.gz 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478539990 /nfs/dbraw/zinc/53/99/90/478539990.db2.gz PSXRZKINEKXSOD-UHFFFAOYSA-N -1 3 349.637 2.685 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCCC1)C1CCCCC1 ZINC000594794886 478542492 /nfs/dbraw/zinc/54/24/92/478542492.db2.gz LQWBAIKJBLTWKZ-HNNXBMFYSA-N -1 3 328.478 2.585 10 30 EFEEHM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594801631 478545592 /nfs/dbraw/zinc/54/55/92/478545592.db2.gz QGTZPNFRAXUMNF-ZDUSSCGKSA-N -1 3 342.848 2.695 10 30 EFEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594802555 478546355 /nfs/dbraw/zinc/54/63/55/478546355.db2.gz XJTVEHPRIGMRRB-CYBMUJFWSA-N -1 3 342.848 2.695 10 30 EFEEHM C=CCCSCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000594815551 478549374 /nfs/dbraw/zinc/54/93/74/478549374.db2.gz VUZCCQDZASDBEO-UHFFFAOYSA-N -1 3 340.392 2.688 10 30 EFEEHM CC(C)[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccccc1F ZINC000594832472 478555277 /nfs/dbraw/zinc/55/52/77/478555277.db2.gz YQZAIGUSAOLNKY-INIZCTEOSA-N -1 3 333.388 2.768 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1(F)F ZINC000594858532 478562595 /nfs/dbraw/zinc/56/25/95/478562595.db2.gz SGYMDJGGMNJBOU-LBPRGKRZSA-N -1 3 334.775 2.925 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCCC1 ZINC000594883813 478571178 /nfs/dbraw/zinc/57/11/78/478571178.db2.gz JAEZHAJWOPXSQG-UHFFFAOYSA-N -1 3 347.362 2.853 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cscn1 ZINC000598014960 478616444 /nfs/dbraw/zinc/61/64/44/478616444.db2.gz PMONUDZYXQJSSC-NSHDSACASA-N -1 3 330.413 2.542 10 30 EFEEHM N#Cc1cc(NCc2ccc([O-])c(Br)c2)nc(C2CC2)n1 ZINC000601129735 478673961 /nfs/dbraw/zinc/67/39/61/478673961.db2.gz ACNODVLQIKQLMX-UHFFFAOYSA-N -1 3 345.200 2.728 10 30 EFEEHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000595353199 478743993 /nfs/dbraw/zinc/74/39/93/478743993.db2.gz ICITXXGFKYYDBY-ROUUACIJSA-N -1 3 344.436 2.595 10 30 EFEEHM C=C(C)CC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000528408891 478759514 /nfs/dbraw/zinc/75/95/14/478759514.db2.gz 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339.443 2.505 10 30 EFEEHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1[C@@H]1CCOC1 ZINC000528913696 478984800 /nfs/dbraw/zinc/98/48/00/478984800.db2.gz CYZCECGFTLEXEI-WBVHZDCISA-N -1 3 338.411 2.963 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3ccc(Cl)cc32)CCCC1 ZINC000546071587 479005474 /nfs/dbraw/zinc/00/54/74/479005474.db2.gz ZJAVMSUILBIXSY-CYBMUJFWSA-N -1 3 340.832 2.777 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CC1 ZINC000565657455 479056096 /nfs/dbraw/zinc/05/60/96/479056096.db2.gz ACMBUBPSQIYEHC-INIZCTEOSA-N -1 3 338.429 2.536 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000566478708 479092458 /nfs/dbraw/zinc/09/24/58/479092458.db2.gz SWGJUIJXGLDETO-UHFFFAOYSA-N -1 3 328.390 2.628 10 30 EFEEHM N#CCc1ccnc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000547749319 479119890 /nfs/dbraw/zinc/11/98/90/479119890.db2.gz CRUVJQDZKIFANP-UHFFFAOYSA-N -1 3 346.184 2.797 10 30 EFEEHM C[C@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000584469913 479147599 /nfs/dbraw/zinc/14/75/99/479147599.db2.gz CPTXHQXEHQLGNO-WMLDXEAASA-N -1 3 331.441 2.645 10 30 EFEEHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000584469914 479147612 /nfs/dbraw/zinc/14/76/12/479147612.db2.gz CPTXHQXEHQLGNO-YOEHRIQHSA-N -1 3 331.441 2.645 10 30 EFEEHM N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c1 ZINC000602192975 479230247 /nfs/dbraw/zinc/23/02/47/479230247.db2.gz CKPREZDQFPWJKP-DLBZAZTESA-N -1 3 348.406 2.741 10 30 EFEEHM CC(C)(C)c1nnc(S(=O)(=O)Cc2ccc(C#N)cc2Cl)[n-]1 ZINC000593209588 479241966 /nfs/dbraw/zinc/24/19/66/479241966.db2.gz CJMRUOXCVUGJIK-UHFFFAOYSA-N -1 3 338.820 2.601 10 30 EFEEHM Cc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1C#N ZINC000599330396 479256844 /nfs/dbraw/zinc/25/68/44/479256844.db2.gz YEHUSQPNWPWWLY-UHFFFAOYSA-N -1 3 335.407 2.530 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]Cc1ccc(Cl)o1 ZINC000611013146 479263725 /nfs/dbraw/zinc/26/37/25/479263725.db2.gz ABLOFKBRRWCTFU-UHFFFAOYSA-N -1 3 331.180 2.937 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1C#N)[C@H]1CCCCO1 ZINC000611025918 479266090 /nfs/dbraw/zinc/26/60/90/479266090.db2.gz MKIQFKNYRIRMPN-OAHLLOKOSA-N -1 3 340.420 2.571 10 30 EFEEHM CN(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000593277486 479271729 /nfs/dbraw/zinc/27/17/29/479271729.db2.gz VCTXVMVBHFHLQJ-UHFFFAOYSA-N -1 3 344.440 2.750 10 30 EFEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N=c1cc2ccccn2[n-]1 ZINC000557526023 479285341 /nfs/dbraw/zinc/28/53/41/479285341.db2.gz FQYPUVQOHZWZTG-SFHVURJKSA-N -1 3 334.379 2.670 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000599411014 479287619 /nfs/dbraw/zinc/28/76/19/479287619.db2.gz AODNBCZFHPVTDY-HNNXBMFYSA-N -1 3 333.438 2.834 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccn1)C1CCC1 ZINC000599411015 479287900 /nfs/dbraw/zinc/28/79/00/479287900.db2.gz AODNBCZFHPVTDY-OAHLLOKOSA-N -1 3 333.438 2.834 10 30 EFEEHM CC(C)(C)C1=CCN(CCNC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000586808720 479359296 /nfs/dbraw/zinc/35/92/96/479359296.db2.gz RBUFRWDTHYKXGU-UHFFFAOYSA-N -1 3 327.428 2.672 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccccc2)CCOCC1 ZINC000593546113 479384318 /nfs/dbraw/zinc/38/43/18/479384318.db2.gz YZXHHMYTBJQFBO-UHFFFAOYSA-N -1 3 348.449 2.604 10 30 EFEEHM CC(C)[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1cccnc1 ZINC000593560102 479388184 /nfs/dbraw/zinc/38/81/84/479388184.db2.gz PDSHGTSIBUMEID-ZDUSSCGKSA-N -1 3 335.454 2.733 10 30 EFEEHM CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593562648 479388499 /nfs/dbraw/zinc/38/84/99/479388499.db2.gz WGKWONCJSXGEKF-MNOVXSKESA-N -1 3 330.500 2.962 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000593572245 479390705 /nfs/dbraw/zinc/39/07/05/479390705.db2.gz LAYKHQHJXOEPNV-CJNGLKHVSA-N -1 3 348.449 2.676 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)[C@H](c1ccccc1)N(C)C ZINC000593579443 479392901 /nfs/dbraw/zinc/39/29/01/479392901.db2.gz ZDVMSPDWOQDHRR-MLGOLLRUSA-N -1 3 349.481 2.589 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000593581254 479393454 /nfs/dbraw/zinc/39/34/54/479393454.db2.gz IRAOIFYIYYFRKM-GFCCVEGCSA-N -1 3 340.470 2.780 10 30 EFEEHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)c2ccccc2O1 ZINC000593600353 479399060 /nfs/dbraw/zinc/39/90/60/479399060.db2.gz CJXUAIWMLQTRGP-ZYHUDNBSSA-N -1 3 334.422 2.810 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccncc1 ZINC000611539714 479409198 /nfs/dbraw/zinc/40/91/98/479409198.db2.gz OIGWZMIWXCCEQZ-LLVKDONJSA-N -1 3 335.816 2.689 10 30 EFEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCC1(C#N)CCCC1)c2=O ZINC000593776192 479455906 /nfs/dbraw/zinc/45/59/06/479455906.db2.gz WXKVEMOSEHNMCB-UHFFFAOYSA-N -1 3 327.359 2.789 10 30 EFEEHM CN(C(=O)c1cc([O-])cc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000589189855 479494996 /nfs/dbraw/zinc/49/49/96/479494996.db2.gz VNHLGVOWGJWSOY-GOSISDBHSA-N -1 3 335.407 2.610 10 30 EFEEHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2F)c2c(n1)CCCC2 ZINC000576089636 479536628 /nfs/dbraw/zinc/53/66/28/479536628.db2.gz QCFMQYFQFPSYNU-UHFFFAOYSA-N -1 3 345.399 2.502 10 30 EFEEHM CCCS(=O)(=O)[N-]c1cc(NC(=O)[C@@H](C)CC#N)c(F)cc1F ZINC000597077765 479559400 /nfs/dbraw/zinc/55/94/00/479559400.db2.gz YNFJTCUTQDLFNI-VIFPVBQESA-N -1 3 345.371 2.605 10 30 EFEEHM N#Cc1ccc(C2(c3nc(-c4ccc5n[n-]nc5c4)no3)CC2)cc1 ZINC000589821039 479570642 /nfs/dbraw/zinc/57/06/42/479570642.db2.gz NDZSAEOCRPSHEM-UHFFFAOYSA-N -1 3 328.335 2.959 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1c(OC)cccc1OC(F)(F)F ZINC000625169224 479798634 /nfs/dbraw/zinc/79/86/34/479798634.db2.gz LXEUHSKGVXBLBP-UHFFFAOYSA-N -1 3 339.335 2.838 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc3nccn3c2)ccc1Cl ZINC000610032229 480232213 /nfs/dbraw/zinc/23/22/13/480232213.db2.gz GOAFRAAWTLBLAG-UHFFFAOYSA-N -1 3 332.772 2.660 10 30 EFEEHM C=CCn1c([C@H](C)CC)n[n-]c1=Nc1cnn(C2CCN(C)CC2)c1 ZINC000634342104 480264030 /nfs/dbraw/zinc/26/40/30/480264030.db2.gz ZTNRWXZRWKUINB-CQSZACIVSA-N -1 3 343.479 2.606 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccncc1 ZINC000610526772 480331054 /nfs/dbraw/zinc/33/10/54/480331054.db2.gz VSRBDJCDWSEIEW-GFCCVEGCSA-N -1 3 338.411 2.523 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000644865216 480615890 /nfs/dbraw/zinc/61/58/90/480615890.db2.gz YYJSAKJYBXYUPS-ZFWWWQNUSA-N -1 3 335.400 2.848 10 30 EFEEHM C=C(C)C[C@@H](NC(C)=O)c1nc(-c2ccc([O-])c(OCC)c2)no1 ZINC000664846149 481514798 /nfs/dbraw/zinc/51/47/98/481514798.db2.gz PMCXJFNAIZJEMW-CYBMUJFWSA-N -1 3 331.372 2.984 10 30 EFEEHM CCCCn1c(SCC(=O)Cc2ccc(C#N)cc2)n[n-]c1=O ZINC000651182337 481609113 /nfs/dbraw/zinc/60/91/13/481609113.db2.gz UGMHPHYHQVWXLZ-UHFFFAOYSA-N -1 3 330.413 2.559 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)N=c1[n-]n(C)cc1Br ZINC000640317813 481914704 /nfs/dbraw/zinc/91/47/04/481914704.db2.gz LWFNSVAGYMDEGS-JQWIXIFHSA-N -1 3 341.253 2.861 10 30 EFEEHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Br)cc1[O-] ZINC000666328997 482283602 /nfs/dbraw/zinc/28/36/02/482283602.db2.gz BBMDHSUCHPOYHO-GFCCVEGCSA-N -1 3 341.205 2.564 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1NCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000661114135 482331864 /nfs/dbraw/zinc/33/18/64/482331864.db2.gz DVNABVUPYQJTDZ-KGLIPLIRSA-N -1 3 333.457 2.733 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[n-]1 ZINC000179366583 524981242 /nfs/dbraw/zinc/98/12/42/524981242.db2.gz LWZNZZZNMFUXEL-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n[n-]1 ZINC000179366583 524981253 /nfs/dbraw/zinc/98/12/53/524981253.db2.gz LWZNZZZNMFUXEL-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)n1 ZINC000179366583 524981262 /nfs/dbraw/zinc/98/12/62/524981262.db2.gz LWZNZZZNMFUXEL-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nnc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[n-]1 ZINC000183009614 524983283 /nfs/dbraw/zinc/98/32/83/524983283.db2.gz RZHRBEJLDASMKU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nc(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n[n-]1 ZINC000183009614 524983294 /nfs/dbraw/zinc/98/32/94/524983294.db2.gz RZHRBEJLDASMKU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1n[n-]c(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)n1 ZINC000183009614 524983305 /nfs/dbraw/zinc/98/33/05/524983305.db2.gz RZHRBEJLDASMKU-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)CC(C)(C)OC ZINC000414370835 535195088 /nfs/dbraw/zinc/19/50/88/535195088.db2.gz HPEQEMBEZDUOMI-UHFFFAOYSA-N -1 3 325.434 2.547 10 30 EFEEHM CC1(C#N)CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000355931567 535276333 /nfs/dbraw/zinc/27/63/33/535276333.db2.gz RYPJVEQVUDUYQR-UHFFFAOYSA-N -1 3 331.322 2.572 10 30 EFEEHM C=CCc1cc(OC)cc(CN2CC(=O)N(C(C)C)C(C)(C)C2)c1[O-] ZINC000754736837 575480895 /nfs/dbraw/zinc/48/08/95/575480895.db2.gz NVFFHXDEYLPJPL-UHFFFAOYSA-N -1 3 346.471 2.961 10 30 EFEEHM COc1ccccc1N1CC[C@@H](/N=C\c2ccc(O)c([O-])c2O)C1 ZINC000756776217 575785845 /nfs/dbraw/zinc/78/58/45/575785845.db2.gz UALSWGKQAHYSQQ-XTBHVRTMSA-N -1 3 328.368 2.510 10 30 EFEEHM COC(=O)c1ccc(NN=C(C)c2ccc(O)cc2[O-])c(OC)c1 ZINC000756897993 575798621 /nfs/dbraw/zinc/79/86/21/575798621.db2.gz ZAPOEWPFOHUFME-UHFFFAOYSA-N -1 3 330.340 2.729 10 30 EFEEHM CCOC(=O)[C@@H](Cc1ccccn1)/N=C/c1ccc(OCC)cc1[O-] ZINC000760990799 576097967 /nfs/dbraw/zinc/09/79/67/576097967.db2.gz RSQJTCRMGOMHPV-VYVDHXHBSA-N -1 3 342.395 2.779 10 30 EFEEHM Cc1ccc([O-])c(CN=Nc2c(F)cc(C(=O)NC3CC3)cc2F)n1 ZINC000763188033 576366200 /nfs/dbraw/zinc/36/62/00/576366200.db2.gz KYOSLEXBPIOTOZ-UHFFFAOYSA-N -1 3 346.337 2.712 10 30 EFEEHM O=C([O-])c1ccc(N=NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000763368075 576374417 /nfs/dbraw/zinc/37/44/17/576374417.db2.gz JQQBCIPQUALPCT-UHFFFAOYSA-N -1 3 338.411 2.886 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000765493468 577046822 /nfs/dbraw/zinc/04/68/22/577046822.db2.gz IAMVTJGQNZYQMH-XIKOKIGWSA-N -1 3 330.384 2.643 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000765493465 577046871 /nfs/dbraw/zinc/04/68/71/577046871.db2.gz IAMVTJGQNZYQMH-KPZWWZAWSA-N -1 3 330.384 2.643 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C\c1ccc(Br)cc1 ZINC000766046715 577101381 /nfs/dbraw/zinc/10/13/81/577101381.db2.gz AOMOXHGNXGUQRG-WSROAFLRSA-N -1 3 343.246 2.887 10 30 EFEEHM COc1cccc([O-])c1/C=N\[C@H]1CCCN(c2cc(C)nn2C)C1 ZINC000766284412 577131008 /nfs/dbraw/zinc/13/10/08/577131008.db2.gz RQMLSGWZAYHJSU-KVMVOAJRSA-N -1 3 328.416 2.531 10 30 EFEEHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H]2CC[C@H](C)C2)ccc1F ZINC000767530142 577211846 /nfs/dbraw/zinc/21/18/46/577211846.db2.gz XONIWZQBHPGVPK-WCQYABFASA-N -1 3 341.404 2.635 10 30 EFEEHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl ZINC000770274154 577409438 /nfs/dbraw/zinc/40/94/38/577409438.db2.gz GCQAHWTXOICWIX-UHFFFAOYSA-N -1 3 344.864 2.676 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cncc2ccccc12 ZINC000772840796 581374028 /nfs/dbraw/zinc/37/40/28/581374028.db2.gz NIHLIJVANCHXGI-UHFFFAOYSA-N -1 3 325.393 2.688 10 30 EFEEHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cncc2ccccc12 ZINC000772845823 581374785 /nfs/dbraw/zinc/37/47/85/581374785.db2.gz UOCAQNPSYBRYGR-UHFFFAOYSA-N -1 3 339.420 2.731 10 30 EFEEHM C=CCCC[C@@H](C)OC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000773871846 581471049 /nfs/dbraw/zinc/47/10/49/581471049.db2.gz MKNUFGAVXZAJGC-GFCCVEGCSA-N -1 3 331.459 2.705 10 30 EFEEHM Cc1cc(Cl)cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)c1[O-] ZINC000774589752 581494825 /nfs/dbraw/zinc/49/48/25/581494825.db2.gz QLRSOCPODALHCL-NSHDSACASA-N -1 3 338.820 2.968 10 30 EFEEHM COC(=O)c1cc2ccccc2c(CN2CCSC[C@@H]2C#N)c1[O-] ZINC000774641958 581496222 /nfs/dbraw/zinc/49/62/22/581496222.db2.gz JPPZOOSLGMQIDQ-ZDUSSCGKSA-N -1 3 342.420 2.773 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C\C(F)(F)F ZINC000851283977 1250908091 /nfs/dbraw/zinc/90/80/91/1250908091.db2.gz CTXDUTVPQACSQR-UTCJRWHESA-N -1 3 328.290 2.870 10 30 EFEEHM C#C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851534262 1251064369 /nfs/dbraw/zinc/06/43/69/1251064369.db2.gz MVDGZDATKWRFIB-ABAIWWIYSA-N -1 3 339.388 2.546 10 30 EFEEHM CCCCCCN([O-])C(=O)Cn1cnc2sc(C)c(C)c2c1=O ZINC001649052026 1258024212 /nfs/dbraw/zinc/02/42/12/1258024212.db2.gz PSBUCGOJUHQPPM-UHFFFAOYSA-N -1 3 337.445 2.873 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001649056597 1258054465 /nfs/dbraw/zinc/05/44/65/1258054465.db2.gz DELNTNJXDXUERT-QGZVFWFLSA-N -1 3 338.423 2.997 10 30 EFEEHM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC000792120663 1278595902 /nfs/dbraw/zinc/59/59/02/1278595902.db2.gz KQKVZKNBZWIGDU-SFHVURJKSA-N -1 3 337.423 2.851 10 30 EFEEHM C=CCSc1ccccc1C(=O)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC001168939811 1272531831 /nfs/dbraw/zinc/53/18/31/1272531831.db2.gz SHMSQWNHSLVTFM-UHFFFAOYSA-N -1 3 327.409 2.925 10 30 EFEEHM C#CC[C@@H]1CCCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000844005858 1278715333 /nfs/dbraw/zinc/71/53/33/1278715333.db2.gz SYRSFTAUENZREN-LLVKDONJSA-N -1 3 330.334 2.682 10 30 EFEEHM C#CCOc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000788494237 1276200290 /nfs/dbraw/zinc/20/02/90/1276200290.db2.gz RVIZABPLDLFYFD-UHFFFAOYSA-N -1 3 330.409 2.565 10 30 EFEEHM C/C(=C\c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820143589 1277043952 /nfs/dbraw/zinc/04/39/52/1277043952.db2.gz LFRUJDFAHKHSSC-GUOLPTJISA-N -1 3 329.183 2.503 10 30 EFEEHM Cc1cccc(Oc2ccccc2C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000820180099 1277061249 /nfs/dbraw/zinc/06/12/49/1277061249.db2.gz VIJYGKCRSMXMPH-HNNXBMFYSA-N -1 3 326.352 2.507 10 30 EFEEHM COc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1C#N ZINC000789903479 1277088544 /nfs/dbraw/zinc/08/85/44/1277088544.db2.gz ZFIQRDPJHCSJPZ-IBGZPJMESA-N -1 3 340.354 2.722 10 30 EFEEHM COc1ccc(CCC(=O)[N-]OCc2ccc(OC)c(C#N)c2)cc1 ZINC000871798262 1287297407 /nfs/dbraw/zinc/29/74/07/1287297407.db2.gz ROZAFJHAUBULQD-UHFFFAOYSA-N -1 3 340.379 2.756 10 30 EFEEHM O=C(OCC#Cc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000791322331 1278034509 /nfs/dbraw/zinc/03/45/09/1278034509.db2.gz PMOVPCJFODJQQJ-SFHVURJKSA-N -1 3 349.386 2.592 10 30 EFEEHM C#CCOc1ccc(Br)cc1CNCc1ncccc1[O-] ZINC000793257818 1279481383 /nfs/dbraw/zinc/48/13/83/1279481383.db2.gz VEKKEVWHWQSTPD-UHFFFAOYSA-N -1 3 347.212 2.852 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)C[C@]1(F)Cl ZINC000845974702 1279950710 /nfs/dbraw/zinc/95/07/10/1279950710.db2.gz DKCRKHDGOVQOPD-CHWSQXEVSA-N -1 3 334.775 2.680 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000846547504 1280241572 /nfs/dbraw/zinc/24/15/72/1280241572.db2.gz AKPQZBMSDYLREU-NWDGAFQWSA-N -1 3 343.349 2.939 10 30 EFEEHM CC#CC[C@H](CO)NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001144922812 1280441832 /nfs/dbraw/zinc/44/18/32/1280441832.db2.gz LLPJIXGLVGMDIQ-GOSISDBHSA-N -1 3 337.419 2.682 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000805782948 1280765308 /nfs/dbraw/zinc/76/53/08/1280765308.db2.gz QLKHQMVMURQHSE-MRXNPFEDSA-N -1 3 326.371 2.965 10 30 EFEEHM C=CCCC(C)(C)CNC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC001170591972 1282694845 /nfs/dbraw/zinc/69/48/45/1282694845.db2.gz FMNBPCGVCWDCCH-UHFFFAOYSA-N -1 3 332.444 2.929 10 30 EFEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872502976 1287627527 /nfs/dbraw/zinc/62/75/27/1287627527.db2.gz CHNIUAOFMXMNFI-UVARLRKDSA-N -1 3 336.523 2.852 10 30 EFEEHM Cc1cccc(-c2noc(COC(=O)c3cc([O-])cc(C#N)c3)n2)c1 ZINC000811187543 1284095580 /nfs/dbraw/zinc/09/55/80/1284095580.db2.gz SNJUVEPBBHLMON-UHFFFAOYSA-N -1 3 335.319 2.979 10 30 EFEEHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)OCC ZINC001133157309 1284888581 /nfs/dbraw/zinc/88/85/81/1284888581.db2.gz JIKHKEJUBXGXLK-CYBMUJFWSA-N -1 3 329.318 2.932 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812526118 1285213419 /nfs/dbraw/zinc/21/34/19/1285213419.db2.gz CQVZSSBFPRGVLP-AWEZNQCLSA-N -1 3 348.355 2.695 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812526119 1285214483 /nfs/dbraw/zinc/21/44/83/1285214483.db2.gz CQVZSSBFPRGVLP-CQSZACIVSA-N -1 3 348.355 2.695 10 30 EFEEHM C#C[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)cc1 ZINC000812791856 1285439191 /nfs/dbraw/zinc/43/91/91/1285439191.db2.gz AQWPVKGAOVHCQK-AWEZNQCLSA-N -1 3 330.315 2.912 10 30 EFEEHM O=C1OCC[C@@H]1CCC/N=C/c1cc(Br)ccc1[O-] ZINC000871597962 1287166290 /nfs/dbraw/zinc/16/62/90/1287166290.db2.gz YUDLYNATFXSOTG-JSJZUPIVSA-N -1 3 326.190 2.917 10 30 EFEEHM N#Cc1ccc(C2CCN(CC(=O)[N-]OCc3ccccc3)CC2)cc1 ZINC001176578396 1288045731 /nfs/dbraw/zinc/04/57/31/1288045731.db2.gz NKYPRVQKZNWFJC-UHFFFAOYSA-N -1 3 349.434 2.986 10 30 EFEEHM CCOc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816694584 1288247514 /nfs/dbraw/zinc/24/75/14/1288247514.db2.gz JCNFORNAPJFVIW-GFCCVEGCSA-N -1 3 346.408 2.534 10 30 EFEEHM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816694003 1288248380 /nfs/dbraw/zinc/24/83/80/1288248380.db2.gz WTOILUPKUUKENL-OIBJUYFYSA-N -1 3 349.239 2.580 10 30 EFEEHM C=CCCC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)OC ZINC001177964897 1288598469 /nfs/dbraw/zinc/59/84/69/1288598469.db2.gz XFRUROJSYDJSSE-OAHLLOKOSA-N -1 3 337.391 2.868 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc(F)ncc1F ZINC000821597481 1288759586 /nfs/dbraw/zinc/75/95/86/1288759586.db2.gz WCJZQEJRHZYJDV-UHFFFAOYSA-N -1 3 347.321 2.625 10 30 EFEEHM CCCCCCCN1CC(N(C)C(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001277671058 1312715493 /nfs/dbraw/zinc/71/54/93/1312715493.db2.gz NHNXQTBUIUNNLP-UHFFFAOYSA-N -1 3 346.475 2.786 10 30 EFEEHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1-c1ccn(C)n1 ZINC001184348524 1290450472 /nfs/dbraw/zinc/45/04/72/1290450472.db2.gz PBNAUAOAXKTJAY-UHFFFAOYSA-N -1 3 342.374 2.998 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1csc(Cc2ccccn2)n1 ZINC001188971373 1291533144 /nfs/dbraw/zinc/53/31/44/1291533144.db2.gz OVDGVGTWYWVANB-UHFFFAOYSA-N -1 3 345.453 2.904 10 30 EFEEHM C=C(C)[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccc(F)c(F)c1 ZINC000878451264 1291678876 /nfs/dbraw/zinc/67/88/76/1291678876.db2.gz JVQUFNWVOOPADH-KRWDZBQOSA-N -1 3 347.365 2.940 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C\c1ccc(F)cc1)C(=O)OCC ZINC000882644820 1293276843 /nfs/dbraw/zinc/27/68/43/1293276843.db2.gz BPPNZUUIMPMNMG-FJVVXJACSA-N -1 3 341.404 2.614 10 30 EFEEHM C#CC1([N-]S(=O)(=O)c2cscc2Br)CCCC1 ZINC000882776150 1293313669 /nfs/dbraw/zinc/31/36/69/1293313669.db2.gz LQMCYKQJBWKBLI-UHFFFAOYSA-N -1 3 334.260 2.735 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OCC ZINC001194187323 1293550442 /nfs/dbraw/zinc/55/04/42/1293550442.db2.gz TWXUQRGZRYTBIR-GFCCVEGCSA-N -1 3 349.811 2.655 10 30 EFEEHM C=C(C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)OCC ZINC001194187324 1293550875 /nfs/dbraw/zinc/55/08/75/1293550875.db2.gz TWXUQRGZRYTBIR-LBPRGKRZSA-N -1 3 349.811 2.655 10 30 EFEEHM CCC(CC)(C[N-]S(=O)(=O)c1cccnc1C#N)C(F)(F)F ZINC000867729808 1294108406 /nfs/dbraw/zinc/10/84/06/1294108406.db2.gz DAFMILFRDCEUBS-UHFFFAOYSA-N -1 3 335.351 2.600 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001490860917 1298346592 /nfs/dbraw/zinc/34/65/92/1298346592.db2.gz FIZADIAVVRPFPO-BCEDRHLLSA-N -1 3 342.439 2.856 10 30 EFEEHM CC(C)(C)n1ncc2c1[n-]c(NN=C1CC(CF)(CF)C1)nc2=O ZINC000853305660 1300082052 /nfs/dbraw/zinc/08/20/52/1300082052.db2.gz ALALCEZBAXDWFY-UHFFFAOYSA-N -1 3 338.362 2.774 10 30 EFEEHM CC(=O)c1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1[O-] ZINC000855306450 1300907035 /nfs/dbraw/zinc/90/70/35/1300907035.db2.gz SEODKMVCBJEIMU-HXUWFJFHSA-N -1 3 349.390 2.687 10 30 EFEEHM C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([O-])c2ccccc2c1 ZINC000855496671 1300984273 /nfs/dbraw/zinc/98/42/73/1300984273.db2.gz XDYBEKCPQMGHGM-UHFFFAOYSA-N -1 3 339.391 2.963 10 30 EFEEHM C#CCOc1cccc(Cl)c1CNCc1nc(C(F)(F)F)n[n-]1 ZINC001207873281 1313793264 /nfs/dbraw/zinc/79/32/64/1313793264.db2.gz PWJYYKSZGFKPBP-UHFFFAOYSA-N -1 3 344.724 2.779 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000794734727 1303042142 /nfs/dbraw/zinc/04/21/42/1303042142.db2.gz CCHOQFRGFMRJOK-NISQSXRWSA-N -1 3 330.387 2.522 10 30 EFEEHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1[O-] ZINC000794847681 1303296714 /nfs/dbraw/zinc/29/67/14/1303296714.db2.gz JTYFOBXNBJGCKG-YBCOVSKFSA-N -1 3 348.406 2.749 10 30 EFEEHM O=C(Cc1cc(Cl)cc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC000868562522 1304356196 /nfs/dbraw/zinc/35/61/96/1304356196.db2.gz GTTJIEGXWMXLED-OAHLLOKOSA-N -1 3 332.787 2.532 10 30 EFEEHM C=C(C)CO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869152602 1304634208 /nfs/dbraw/zinc/63/42/08/1304634208.db2.gz DMILQHALZXXJJR-UHFFFAOYSA-N -1 3 329.150 2.524 10 30 EFEEHM C#CCCCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000869346743 1304734581 /nfs/dbraw/zinc/73/45/81/1304734581.db2.gz DKRHGWWQRRQQAL-INIZCTEOSA-N -1 3 329.396 2.734 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCCS1 ZINC000871026938 1305751846 /nfs/dbraw/zinc/75/18/46/1305751846.db2.gz SUKVAFIGHYKOOF-ZDUSSCGKSA-N -1 3 333.457 2.610 10 30 EFEEHM O=C([C@@H]1CCNC(=O)CC1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900096127 1307655274 /nfs/dbraw/zinc/65/52/74/1307655274.db2.gz SUPWAILZZJVNTH-JTQLQIEISA-N -1 3 331.199 2.628 10 30 EFEEHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC001209724398 1314223214 /nfs/dbraw/zinc/22/32/14/1314223214.db2.gz AMZXWBQBVOSBHY-UHFFFAOYSA-N -1 3 334.422 2.663 10 30 EFEEHM COc1cc2c(cc1F)CC[C@H]2/N=C/c1c([O-])c(C)ncc1CO ZINC000800790525 1308424243 /nfs/dbraw/zinc/42/42/43/1308424243.db2.gz MZBSXXOYGISUME-ITFLWDOHSA-N -1 3 330.359 2.842 10 30 EFEEHM Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(C)cc(=O)[n-]1 ZINC000801666244 1310688996 /nfs/dbraw/zinc/68/89/96/1310688996.db2.gz SOLYHZIOWPQZFR-UHFFFAOYSA-N -1 3 340.770 2.687 10 30 EFEEHM C=CCC[C@@H](NCc1nnn(-c2ccccc2)c1C1CC1)C(=O)[O-] ZINC000901689994 1310889534 /nfs/dbraw/zinc/88/95/34/1310889534.db2.gz ISQAHHAFVSFNEH-OAHLLOKOSA-N -1 3 326.400 2.654 10 30 EFEEHM Cc1ccc(S(=O)(=O)[N-][C@@H](CC#N)C(F)(F)F)cc1Cl ZINC000901776193 1311028810 /nfs/dbraw/zinc/02/88/10/1311028810.db2.gz XYWSTRXKYGBQPS-JTQLQIEISA-N -1 3 326.727 2.771 10 30 EFEEHM C=CCOc1ccc(CN2CCC(n3cc(C(=O)[O-])cn3)CC2)cc1 ZINC000901881249 1311149508 /nfs/dbraw/zinc/14/95/08/1311149508.db2.gz CKWPNAUDKXVUSW-UHFFFAOYSA-N -1 3 341.411 2.983 10 30 EFEEHM CCCCCCCN1CC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001276956830 1311361312 /nfs/dbraw/zinc/36/13/12/1311361312.db2.gz OIEUKGUONAJLRY-ZDUSSCGKSA-N -1 3 346.431 2.703 10 30 EFEEHM CCCCN([O-])C(=O)COc1cccc(Br)c1C#N ZINC001161831850 1311983979 /nfs/dbraw/zinc/98/39/79/1311983979.db2.gz FUAAZTJITYQXMT-UHFFFAOYSA-N -1 3 327.178 2.717 10 30 EFEEHM CCCCN([O-])C(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1 ZINC001161832541 1311983999 /nfs/dbraw/zinc/98/39/99/1311983999.db2.gz PPKPHOZKMHOZOW-HUUCEWRRSA-N -1 3 338.379 2.754 10 30 EFEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001213589844 1314577801 /nfs/dbraw/zinc/57/78/01/1314577801.db2.gz HODAVQMHLKZDFB-HAQNSBGRSA-N -1 3 340.376 2.513 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CC)C1CC(C)(C)C1 ZINC001262957238 1316508441 /nfs/dbraw/zinc/50/84/41/1316508441.db2.gz NGUGHSSZGQYYNK-UHFFFAOYSA-N -1 3 328.420 2.642 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC2(CCCC2)C1 ZINC001262991070 1316513871 /nfs/dbraw/zinc/51/38/71/1316513871.db2.gz YCRZSXSMKKSJIA-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC2(CCCC2)C1 ZINC001262991070 1316513869 /nfs/dbraw/zinc/51/38/69/1316513869.db2.gz YCRZSXSMKKSJIA-UHFFFAOYSA-N -1 3 333.827 2.673 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001262990684 1316513881 /nfs/dbraw/zinc/51/38/81/1316513881.db2.gz KLUZWAQRIHIHDY-SRVKXCTJSA-N -1 3 347.854 2.918 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC001262990684 1316513883 /nfs/dbraw/zinc/51/38/83/1316513883.db2.gz KLUZWAQRIHIHDY-SRVKXCTJSA-N -1 3 347.854 2.918 10 30 EFEEHM CC#CCCCC(=O)NCC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001280928251 1317903845 /nfs/dbraw/zinc/90/38/45/1317903845.db2.gz INLSHNXMLQPUCV-QGZVFWFLSA-N -1 3 344.455 2.847 10 30 EFEEHM C#CCCCC(=O)N[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001282313832 1318840679 /nfs/dbraw/zinc/84/06/79/1318840679.db2.gz VDECJXUWXHJTRU-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C#CCCCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001284139067 1320229555 /nfs/dbraw/zinc/22/95/55/1320229555.db2.gz NYJXTGWPRAJCTJ-CVEARBPZSA-N -1 3 342.439 2.553 10 30 EFEEHM C=CCCC1(C(=O)NC[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001284348265 1320330467 /nfs/dbraw/zinc/33/04/67/1320330467.db2.gz LBBCEUGTHKINQD-HNNXBMFYSA-N -1 3 342.439 2.717 10 30 EFEEHM C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284827021 1320553001 /nfs/dbraw/zinc/55/30/01/1320553001.db2.gz XUQQKADULZUXKJ-CVEARBPZSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001284862448 1320568256 /nfs/dbraw/zinc/56/82/56/1320568256.db2.gz CMNGFVYCPJGTHD-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCCC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001285139615 1320721353 /nfs/dbraw/zinc/72/13/53/1320721353.db2.gz CAYCFYPSRAIJRM-LJQANCHMSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286112018 1321242978 /nfs/dbraw/zinc/24/29/78/1321242978.db2.gz GNXHUUBPQFJEOP-WOJBJXKFSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001287503406 1321477456 /nfs/dbraw/zinc/47/74/56/1321477456.db2.gz FFVDHZMVIJYMQR-MRXNPFEDSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001287856943 1321528901 /nfs/dbraw/zinc/52/89/01/1321528901.db2.gz RPVCZXQUEUDHDC-NVXWUHKLSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C(C)CCC(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001288022520 1321586422 /nfs/dbraw/zinc/58/64/22/1321586422.db2.gz LVUWJMDCWHOWSC-CABCVRRESA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001288022523 1321586453 /nfs/dbraw/zinc/58/64/53/1321586453.db2.gz LVUWJMDCWHOWSC-GJZGRUSLSA-N -1 3 330.428 2.763 10 30 EFEEHM CCCCCCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)CC[C@@H]1C ZINC001288469195 1321681327 /nfs/dbraw/zinc/68/13/27/1321681327.db2.gz GVPUOXUJKCHJKG-LSDHHAIUSA-N -1 3 349.479 2.665 10 30 EFEEHM N#Cc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC001290876122 1321967748 /nfs/dbraw/zinc/96/77/48/1321967748.db2.gz UFYOOKKYAVKDSH-UHFFFAOYSA-N -1 3 332.157 2.603 10 30 EFEEHM C=CC(C)(C)C(=O)NC1CC2(CC(NC(=O)c3ccccc3[O-])C2)C1 ZINC001292422205 1322072606 /nfs/dbraw/zinc/07/26/06/1322072606.db2.gz NKKJPMJZERDTHN-UHFFFAOYSA-N -1 3 342.439 2.762 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001295686775 1322750199 /nfs/dbraw/zinc/75/01/99/1322750199.db2.gz QXYNSPHIQUBUPE-KUHUBIRLSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001295744932 1322766778 /nfs/dbraw/zinc/76/67/78/1322766778.db2.gz RMBJXSNJFUHGEY-GJZGRUSLSA-N -1 3 330.428 2.573 10 30 EFEEHM C[C@H](Nc1c(C#N)cccc1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001307218960 1323027829 /nfs/dbraw/zinc/02/78/29/1323027829.db2.gz FZRZUFIHSNRKRH-LURJTMIESA-N -1 3 326.238 2.776 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC001298427739 1323523358 /nfs/dbraw/zinc/52/33/58/1323523358.db2.gz XJWHZURJDVNVLP-HNNXBMFYSA-N -1 3 346.770 2.852 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001491921510 1324035181 /nfs/dbraw/zinc/03/51/81/1324035181.db2.gz YYZOQDAYKNSPEW-AUUYWEPGSA-N -1 3 330.428 2.667 10 30 EFEEHM CCc1ccc(C#CC(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)cc1 ZINC001304819623 1324664512 /nfs/dbraw/zinc/66/45/12/1324664512.db2.gz KXBUGSLJIWCBSA-IYARVYRRSA-N -1 3 349.434 2.939 10 30 EFEEHM Cc1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(N)n1 ZINC001306893539 1324729456 /nfs/dbraw/zinc/72/94/56/1324729456.db2.gz LPHVBMDNTKJBDA-UHFFFAOYSA-N -1 3 327.171 2.706 10 30 EFEEHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2c1=O ZINC001306898863 1324729512 /nfs/dbraw/zinc/72/95/12/1324729512.db2.gz SBBAJZIOGSKSAL-UHFFFAOYSA-N -1 3 326.327 2.709 10 30 EFEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309343994 1324865657 /nfs/dbraw/zinc/86/56/57/1324865657.db2.gz KYHHPYDJROOTGK-JTQLQIEISA-N -1 3 333.251 2.867 10 30 EFEEHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309494434 1324871055 /nfs/dbraw/zinc/87/10/55/1324871055.db2.gz RAXOCPJULKKTMV-SECBINFHSA-N -1 3 346.861 2.555 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC001309709755 1324882556 /nfs/dbraw/zinc/88/25/56/1324882556.db2.gz NNTJJAORNRLNSH-UHFFFAOYSA-N -1 3 329.393 2.635 10 30 EFEEHM C=CC(C)(C)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC001309937347 1324894654 /nfs/dbraw/zinc/89/46/54/1324894654.db2.gz FDHKXNYGPCFTDT-UHFFFAOYSA-N -1 3 338.307 2.857 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001337896691 1331610237 /nfs/dbraw/zinc/61/02/37/1331610237.db2.gz BGCQHHDWBWSPQH-DZGCQCFKSA-N -1 3 330.428 2.714 10 30 EFEEHM CC#CCCCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001338828807 1331742552 /nfs/dbraw/zinc/74/25/52/1331742552.db2.gz LDHKWXTYAGMMEW-QGZVFWFLSA-N -1 3 344.455 2.847 10 30 EFEEHM C=CCC1(C(=O)NC2CC(N(C)C(=O)c3ccccc3[O-])C2)CCC1 ZINC001339132896 1331798492 /nfs/dbraw/zinc/79/84/92/1331798492.db2.gz CGTKKZLQJFPOGJ-UHFFFAOYSA-N -1 3 342.439 2.858 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001339741828 1331948148 /nfs/dbraw/zinc/94/81/48/1331948148.db2.gz FZXQSPFJKJQAKM-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCC1(C(=O)N[C@@H]2CCN(C(=O)c3ccccc3[O-])C2)CCCC1 ZINC001350448885 1333083388 /nfs/dbraw/zinc/08/33/88/1333083388.db2.gz UOVHLXDDZAOMJN-OAHLLOKOSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCCN(CC)c1nnc(-c2cnc[n-]c2=O)n1CC1CC1 ZINC001351399799 1333224258 /nfs/dbraw/zinc/22/42/58/1333224258.db2.gz MQILPOREFVVUIP-UHFFFAOYSA-N -1 3 328.420 2.643 10 30 EFEEHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(CCC1CC1)CC1CC1 ZINC001351723164 1333275134 /nfs/dbraw/zinc/27/51/34/1333275134.db2.gz ONAHRTDKTHUGHZ-UHFFFAOYSA-N -1 3 340.431 2.643 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001356728193 1335126607 /nfs/dbraw/zinc/12/66/07/1335126607.db2.gz FAFDOMBAZBAXLB-INIZCTEOSA-N -1 3 342.439 2.881 10 30 EFEEHM C=CCN(C)c1nnc(-c2nnc(Cl)[n-]2)n1CCc1ccccc1 ZINC001357969804 1335350256 /nfs/dbraw/zinc/35/02/56/1335350256.db2.gz PQGZJVSSMLCVIL-UHFFFAOYSA-N -1 3 343.822 2.582 10 30 EFEEHM C=CCN(C)c1nnc(-c2n[n-]c(Cl)n2)n1CCc1ccccc1 ZINC001357969804 1335350258 /nfs/dbraw/zinc/35/02/58/1335350258.db2.gz PQGZJVSSMLCVIL-UHFFFAOYSA-N -1 3 343.822 2.582 10 30 EFEEHM C=CCCC(=O)N1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001358836789 1335498013 /nfs/dbraw/zinc/49/80/13/1335498013.db2.gz KYJBXDUFJRRXIM-UHFFFAOYSA-N -1 3 330.428 2.717 10 30 EFEEHM Cc1ncc(CO)c(/C=N/Cc2cccc(OC3CC3)c2F)c1[O-] ZINC000849169454 1335563117 /nfs/dbraw/zinc/56/31/17/1335563117.db2.gz CQPNMUUVKVPWMU-AWQFTUOYSA-N -1 3 330.359 2.887 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000849412186 1335609676 /nfs/dbraw/zinc/60/96/76/1335609676.db2.gz HOGNCWADEAFXFQ-VXGBXAGGSA-N -1 3 331.869 2.795 10 30 EFEEHM CCc1cc(C#N)c([N-]C(=O)c2cc(S(C)(=O)=O)c(C)o2)s1 ZINC001361301523 1335969879 /nfs/dbraw/zinc/96/98/79/1335969879.db2.gz GNBXKSCNDQUIKG-UHFFFAOYSA-N -1 3 338.410 2.739 10 30 EFEEHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)Nc1ccccc1 ZINC001361822418 1336359369 /nfs/dbraw/zinc/35/93/69/1336359369.db2.gz ICSRQEVOLFGOKM-GFCCVEGCSA-N -1 3 343.333 2.793 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncncc1C(C)C ZINC001361925637 1336419582 /nfs/dbraw/zinc/41/95/82/1336419582.db2.gz SZYRZZPKYSZPII-UHFFFAOYSA-N -1 3 339.399 2.760 10 30 EFEEHM Cc1cc(C(=O)Nc2cc([O-])cc(Br)c2)ncc1C#N ZINC001362455414 1336617268 /nfs/dbraw/zinc/61/72/68/1336617268.db2.gz DVFZCHZAWVTPHP-UHFFFAOYSA-N -1 3 332.157 2.982 10 30 EFEEHM N#Cc1cccc(NC2CN(C(=O)c3cc([O-])ccc3Cl)C2)c1 ZINC001363494565 1336902605 /nfs/dbraw/zinc/90/26/05/1336902605.db2.gz HEAOVPURMIJBGZ-UHFFFAOYSA-N -1 3 327.771 2.854 10 30 EFEEHM C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1nc(C(F)(F)F)n[n-]1 ZINC001363640564 1336968461 /nfs/dbraw/zinc/96/84/61/1336968461.db2.gz KNBMCJYLYHCLDD-KOLCDFICSA-N -1 3 337.305 2.698 10 30 EFEEHM COC(=O)[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccc1 ZINC001363664207 1336982177 /nfs/dbraw/zinc/98/21/77/1336982177.db2.gz KHPNWRDGDSYIIG-OAHLLOKOSA-N -1 3 344.317 2.681 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C1(c2ccccc2)COC1 ZINC001363735334 1337017639 /nfs/dbraw/zinc/01/76/39/1337017639.db2.gz XEMOUIGLHIKIGV-UHFFFAOYSA-N -1 3 328.318 2.692 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)[n-]n1 ZINC001364998999 1337210551 /nfs/dbraw/zinc/21/05/51/1337210551.db2.gz XZDYSYIQIZNDRZ-UHFFFAOYSA-N -1 3 332.747 2.752 10 30 EFEEHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n[n-]1 ZINC001364998999 1337210555 /nfs/dbraw/zinc/21/05/55/1337210555.db2.gz XZDYSYIQIZNDRZ-UHFFFAOYSA-N -1 3 332.747 2.752 10 30 EFEEHM CC[C@@H](CNC(=O)c1ccccc1[O-])NCc1cc(F)ccc1C#N ZINC001391673035 1355421989 /nfs/dbraw/zinc/42/19/89/1355421989.db2.gz NOBRNYWDAPMUGL-INIZCTEOSA-N -1 3 341.386 2.701 10 30 EFEEHM CC(F)(F)C(=O)[N-]C[C@@H]1CN(CCC(F)(F)F)CCC1(F)F ZINC001407328747 1368777298 /nfs/dbraw/zinc/77/72/98/1368777298.db2.gz RKPJXUKIEIBLPD-MRVPVSSYSA-N -1 3 338.267 2.667 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)N2Cc3ccc(C#N)cc3C2)c1 ZINC001452407911 1392900761 /nfs/dbraw/zinc/90/07/61/1392900761.db2.gz STFJHXIOVIKQGI-UHFFFAOYSA-N -1 3 333.347 2.544 10 30 EFEEHM NC(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)o1 ZINC001457999483 1395394863 /nfs/dbraw/zinc/39/48/63/1395394863.db2.gz YBMFHDFUAXMLPJ-UHFFFAOYSA-N -1 3 329.139 2.717 10 30 EFEEHM CCCCCCN([O-])C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001458009829 1395396406 /nfs/dbraw/zinc/39/64/06/1395396406.db2.gz RSADFTNIQNWWIR-UHFFFAOYSA-N -1 3 337.376 2.513 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C ZINC001458025946 1395397521 /nfs/dbraw/zinc/39/75/21/1395397521.db2.gz XCNGHBIFRMFBRW-CYBMUJFWSA-N -1 3 327.425 2.982 10 30 EFEEHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(C)n1-c1cnn(C)c1 ZINC001458027327 1395397753 /nfs/dbraw/zinc/39/77/53/1395397753.db2.gz NWQXRXZHNDLUHZ-UHFFFAOYSA-N -1 3 342.374 2.998 10 30 EFEEHM C=CCC[C@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OCC ZINC001463730432 1396516623 /nfs/dbraw/zinc/51/66/23/1396516623.db2.gz PUDKNNOWPXDGCB-CKDBGZEDSA-N -1 3 343.489 2.774 10 30 EFEEHM C=CCC[C@@H]([N-]S(=O)(=O)CC12CCC(CC1)CC2)C(=O)OCC ZINC001463730437 1396516760 /nfs/dbraw/zinc/51/67/60/1396516760.db2.gz PUDKNNOWPXDGCB-ISXOHVOVSA-N -1 3 343.489 2.774 10 30 EFEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001464133773 1396549286 /nfs/dbraw/zinc/54/92/86/1396549286.db2.gz DYGUNNDHDNDTQG-UHFFFAOYSA-N -1 3 329.393 2.635 10 30 EFEEHM COc1cccc(C(=O)Nc2ncccc2OCCCC#N)c1[O-] ZINC001464712545 1396597339 /nfs/dbraw/zinc/59/73/39/1396597339.db2.gz WKJFZWZGSSWREM-UHFFFAOYSA-N -1 3 327.340 2.731 10 30 EFEEHM C=CCCC(=O)N1CCC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]21 ZINC001494130048 1399152621 /nfs/dbraw/zinc/15/26/21/1399152621.db2.gz JGEGZDOXWSXBDY-RDJZCZTQSA-N -1 3 342.439 2.812 10 30 EFEEHM C#CCCCCC(=O)N1CC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001497887033 1401717163 /nfs/dbraw/zinc/71/71/63/1401717163.db2.gz KKBFIWUQKFLFHZ-INIZCTEOSA-N -1 3 342.439 2.506 10 30 EFEEHM C=CCCC1(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])CC1 ZINC001500090774 1402934033 /nfs/dbraw/zinc/93/40/33/1402934033.db2.gz YSACSHOAPAWRPX-AWEZNQCLSA-N -1 3 330.428 2.621 10 30 EFEEHM C#CCCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001500650179 1403267462 /nfs/dbraw/zinc/26/74/62/1403267462.db2.gz LIIIYZYKZCZCCL-WBVHZDCISA-N -1 3 342.439 2.553 10 30 EFEEHM CC(C)C#CC(=O)N(C)C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001508619216 1407572105 /nfs/dbraw/zinc/57/21/05/1407572105.db2.gz MXJSXCOPSZVJNY-UHFFFAOYSA-N -1 3 342.439 2.551 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001509546118 1408026050 /nfs/dbraw/zinc/02/60/50/1408026050.db2.gz GEXYUNUCVWBACE-PBHICJAKSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001509546127 1408026291 /nfs/dbraw/zinc/02/62/91/1408026291.db2.gz GEXYUNUCVWBACE-YOEHRIQHSA-N -1 3 344.455 2.961 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001511217142 1412920941 /nfs/dbraw/zinc/92/09/41/1412920941.db2.gz YXKJRJWLLHXQSU-HZPDHXFCSA-N -1 3 342.439 2.695 10 30 EFEEHM C[C@H]1[C@@H](NC(=O)c2ccccc2[O-])CCCN1C(=O)C#CC(C)(C)C ZINC001511355582 1412989806 /nfs/dbraw/zinc/98/98/06/1412989806.db2.gz MNDPVCPWZROQEZ-HOCLYGCPSA-N -1 3 342.439 2.551 10 30 EFEEHM C=CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001511441699 1413048198 /nfs/dbraw/zinc/04/81/98/1413048198.db2.gz NUPVEECSVSRCFK-GJZGRUSLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC001512416328 1413424151 /nfs/dbraw/zinc/42/41/51/1413424151.db2.gz MOTJMLQTYGLKQE-CQSZACIVSA-N -1 3 332.444 2.961 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001512776468 1413572060 /nfs/dbraw/zinc/57/20/60/1413572060.db2.gz QCXRXIAPLJLBLB-YQQAZPJKSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCCOCCCCC(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001558573599 1415190597 /nfs/dbraw/zinc/19/05/97/1415190597.db2.gz OQPNKFKGUFVJGA-SNVBAGLBSA-N -1 3 334.342 2.764 10 30 EFEEHM C=CCn1ncc2ccc(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)cc21 ZINC001558614444 1415192849 /nfs/dbraw/zinc/19/28/49/1415192849.db2.gz IUAKOQNCUPYQMN-UHFFFAOYSA-N -1 3 335.367 2.848 10 30 EFEEHM N#Cc1ccccc1C=CC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001558728511 1415198319 /nfs/dbraw/zinc/19/83/19/1415198319.db2.gz DODYMMGUROFTDQ-FYIOBOIHSA-N -1 3 348.406 2.910 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nc(N(C)C)ncc1Br ZINC001559035509 1415219498 /nfs/dbraw/zinc/21/94/98/1415219498.db2.gz UMAMMLHBIPYMEQ-UHFFFAOYSA-N -1 3 345.241 2.717 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C ZINC001559035503 1415220164 /nfs/dbraw/zinc/22/01/64/1415220164.db2.gz UBSHHSNGNCYPGO-ZDUSSCGKSA-N -1 3 332.441 2.714 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC001561929432 1415330117 /nfs/dbraw/zinc/33/01/17/1415330117.db2.gz VCXZJQAUBPUTMF-MRXNPFEDSA-N -1 3 339.457 2.621 10 30 EFEEHM C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC001567485373 1416156556 /nfs/dbraw/zinc/15/65/56/1416156556.db2.gz HAAUGEGOTKCWFU-GFCCVEGCSA-N -1 3 335.404 2.975 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]2CN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001683728590 1416683415 /nfs/dbraw/zinc/68/34/15/1416683415.db2.gz PTFFICBJRHVXBN-BFYDXBDKSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCCCC(=O)N1CCCC2(CN(C(=O)c3ccccc3[O-])C2)C1 ZINC001718365945 1422224655 /nfs/dbraw/zinc/22/46/55/1422224655.db2.gz ZQJXBPZYGWTXTI-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001718507446 1422325001 /nfs/dbraw/zinc/32/50/01/1422325001.db2.gz DLPKABNYURORLU-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CCN1C(=O)c1ccccc1[O-] ZINC001719397683 1422703119 /nfs/dbraw/zinc/70/31/19/1422703119.db2.gz QESZDEUTZDEUIE-CQSZACIVSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720945759 1423320231 /nfs/dbraw/zinc/32/02/31/1423320231.db2.gz DAXFLPPIUYHLTL-CABCVRRESA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001721657653 1423907861 /nfs/dbraw/zinc/90/78/61/1423907861.db2.gz ZWNOCKXHQFSMQT-HOCLYGCPSA-N -1 3 332.444 2.865 10 30 EFEEHM CC#CCCCC(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001722233202 1424286922 /nfs/dbraw/zinc/28/69/22/1424286922.db2.gz IDVJTULPFJEKMF-FQEVSTJZSA-N -1 3 342.439 2.554 10 30 EFEEHM CC#CCCCC(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001722233204 1424287462 /nfs/dbraw/zinc/28/74/62/1424287462.db2.gz IDVJTULPFJEKMF-HXUWFJFHSA-N -1 3 342.439 2.554 10 30 EFEEHM C=CC(C)(C)CC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001725872118 1425933005 /nfs/dbraw/zinc/93/30/05/1425933005.db2.gz BGZRZAZZPCQNRT-UHFFFAOYSA-N -1 3 330.428 2.619 10 30 EFEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2nc(C)sc2C)cc1 ZINC000178707705 715905861 /nfs/dbraw/zinc/90/58/61/715905861.db2.gz GJEHYKZBLOIKGB-ZDUSSCGKSA-N -1 3 329.381 2.730 10 30 EFEEHM Cc1cc([O-])c(CN2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC000840909953 720827040 /nfs/dbraw/zinc/82/70/40/720827040.db2.gz JAVRGKWHHUKBQH-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM CC(C)c1csc(C[N-]S(=O)(=O)c2cc(F)cc(C#N)c2)n1 ZINC000866968802 725721221 /nfs/dbraw/zinc/72/12/21/725721221.db2.gz ICOKPZJOMZAXJE-UHFFFAOYSA-N -1 3 339.417 2.756 10 30 EFEEHM COC[C@H]([N-]S(=O)(=O)Cc1c(C)cc(C#N)cc1C)c1ccco1 ZINC000914214694 726169527 /nfs/dbraw/zinc/16/95/27/726169527.db2.gz PMNOTNROBZXFBC-INIZCTEOSA-N -1 3 348.424 2.575 10 30 EFEEHM C=CCCC[C@H](C(=O)NCCCc1cc(=O)[nH][n-]1)c1ccccc1 ZINC000908232602 727137328 /nfs/dbraw/zinc/13/73/28/727137328.db2.gz POMPBPALIDFHDP-KRWDZBQOSA-N -1 3 327.428 2.899 10 30 EFEEHM C=C(C)C[C@H](NC(=O)NC[C@H](c1ccc(CC)cc1)N(C)C)C(=O)[O-] ZINC000908751961 727256741 /nfs/dbraw/zinc/25/67/41/727256741.db2.gz IBJJVNWAVROLNN-DLBZAZTESA-N -1 3 347.459 2.570 10 30 EFEEHM C=C(C)C[C@H](NC(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000908884337 727280999 /nfs/dbraw/zinc/28/09/99/727280999.db2.gz KYZDAGDHZKTUEH-PVAVHDDUSA-N -1 3 345.443 2.541 10 30 EFEEHM CC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC(C)(C)C ZINC000911595178 727566515 /nfs/dbraw/zinc/56/65/15/727566515.db2.gz PSFYDVMFSKAAFX-ZDUSSCGKSA-N -1 3 338.354 2.887 10 30 EFEEHM C[C@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H](C)N1CC#N ZINC000911709094 727585893 /nfs/dbraw/zinc/58/58/93/727585893.db2.gz GSHHRTOVFRMYOP-RYUDHWBXSA-N -1 3 329.425 2.665 10 30 EFEEHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000916708868 727735107 /nfs/dbraw/zinc/73/51/07/727735107.db2.gz AYBUUFXRKIPKFL-AWEZNQCLSA-N -1 3 336.338 2.664 10 30 EFEEHM C#CCCCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001572407617 1087459464 /nfs/dbraw/zinc/45/94/64/1087459464.db2.gz ZOFFDLWUKYXBRN-CVEARBPZSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CC=C(CNC(=O)c2ccccc2[O-])CC1 ZINC001572573821 1087540015 /nfs/dbraw/zinc/54/00/15/1087540015.db2.gz CCZFASFMRHWHLC-OAHLLOKOSA-N -1 3 342.439 2.883 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1C[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@H]21 ZINC001573064947 1087669483 /nfs/dbraw/zinc/66/94/83/1087669483.db2.gz PTFDTDMFAUOELP-ZMSDIMECSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCCCC(=O)N1C[C@@H](C)[C@H](CCNC(=O)c2ccccc2[O-])C1 ZINC001573939843 1087911538 /nfs/dbraw/zinc/91/15/38/1087911538.db2.gz BNRNMMZOYXESDA-HZPDHXFCSA-N -1 3 344.455 2.963 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001647266508 1089183112 /nfs/dbraw/zinc/18/31/12/1089183112.db2.gz MYRRROGMOCJYKD-ILWJIGKKSA-N -1 3 332.759 2.534 10 30 EFEEHM C=CCC1(C(=O)N2CCC[C@H](NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001576626029 1089362915 /nfs/dbraw/zinc/36/29/15/1089362915.db2.gz JXIJYYIBTHCZNZ-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C(C)CCC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001582643251 1091599382 /nfs/dbraw/zinc/59/93/82/1091599382.db2.gz KYONAZQEWGFDLG-IBGZPJMESA-N -1 3 330.428 2.763 10 30 EFEEHM C=CC(C)(C)C(=O)N1CCC(CCNC(=O)c2ccccc2[O-])CC1 ZINC001582693794 1091633618 /nfs/dbraw/zinc/63/36/18/1091633618.db2.gz WLQBKEFKGJDTBG-UHFFFAOYSA-N -1 3 344.455 2.963 10 30 EFEEHM N#Cc1cccc(O[N-]C(=O)c2cccn3cc(C(F)(F)F)nc23)c1 ZINC001587208880 1092792390 /nfs/dbraw/zinc/79/23/90/1092792390.db2.gz RMZPYQGOYLQQJE-UHFFFAOYSA-N -1 3 346.268 2.949 10 30 EFEEHM Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])C=Cc1ccncn1 ZINC000588538951 1093000435 /nfs/dbraw/zinc/00/04/35/1093000435.db2.gz COSUORORHDEKBQ-XHPSBEMXSA-N -1 3 330.347 2.871 10 30 EFEEHM O=C(c1cnnn1-c1cccc(F)c1)N([O-])Cc1ccc(F)cc1 ZINC001651238211 1093543365 /nfs/dbraw/zinc/54/33/65/1093543365.db2.gz SIEALHBUWNJOKH-UHFFFAOYSA-N -1 3 330.294 2.577 10 30 EFEEHM C=CCn1ncc2ccc(NC(=O)CCc3c(C)nc[n-]c3=O)cc21 ZINC001651245435 1093544721 /nfs/dbraw/zinc/54/47/21/1093544721.db2.gz PUEHCKXYVQSFOX-UHFFFAOYSA-N -1 3 337.383 2.598 10 30 EFEEHM N#C[C@@H]([N-]C(=O)C(F)(F)n1cc(-c2ccccc2)nn1)C1CCCC1 ZINC001596434067 1094531204 /nfs/dbraw/zinc/53/12/04/1094531204.db2.gz HRHFWWFMFBFFKQ-CQSZACIVSA-N -1 3 345.353 2.693 10 30 EFEEHM Cc1nn(C)c(-n2cccn2)c1C(=O)N([O-])Cc1ccccc1Cl ZINC001611650982 1099025749 /nfs/dbraw/zinc/02/57/49/1099025749.db2.gz TXCFBJBDUDQRFP-UHFFFAOYSA-N -1 3 345.790 2.599 10 30 EFEEHM CCC(CC)[C@H](C)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611649105 1099026779 /nfs/dbraw/zinc/02/67/79/1099026779.db2.gz VYRXATQANOZTCE-ZDUSSCGKSA-N -1 3 346.427 2.963 10 30 EFEEHM O=C(C[C@@H]1CC=CCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001611650581 1099026864 /nfs/dbraw/zinc/02/68/64/1099026864.db2.gz CFCYJBMXYWECMG-CQSZACIVSA-N -1 3 342.395 2.637 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 ZINC001611655581 1099027194 /nfs/dbraw/zinc/02/71/94/1099027194.db2.gz JTBQEERJUIFVGW-MRXNPFEDSA-N -1 3 348.443 2.842 10 30 EFEEHM Cn1nnc2cc(C(=O)N([O-])Cc3cccc4ccccc43)cnc21 ZINC001611662430 1099027951 /nfs/dbraw/zinc/02/79/51/1099027951.db2.gz HMJHTSRLIVVTDI-UHFFFAOYSA-N -1 3 333.351 2.548 10 30 EFEEHM C[C@@H](Nc1c(C#N)nnc2ccccc21)c1nc(C(F)(F)F)n[n-]1 ZINC001612974365 1099085969 /nfs/dbraw/zinc/08/59/69/1099085969.db2.gz NBRVGILPFJHBQT-SSDOTTSWSA-N -1 3 333.277 2.811 10 30 EFEEHM C[C@H](Nc1cccc(C#N)c1[N+](=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001612974409 1099086514 /nfs/dbraw/zinc/08/65/14/1099086514.db2.gz PFDSSFXQHOSXBW-LURJTMIESA-N -1 3 326.238 2.776 10 30 EFEEHM CCCCCCCN1CCO[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001270620145 1099271984 /nfs/dbraw/zinc/27/19/84/1099271984.db2.gz LJLUQDYTCUHDTR-INIZCTEOSA-N -1 3 334.460 2.793 10 30 EFEEHM N#C[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc(Br)cc1 ZINC001624138002 1099663311 /nfs/dbraw/zinc/66/33/11/1099663311.db2.gz ULVYKYVAKKZCRV-LBPRGKRZSA-N -1 3 347.168 2.855 10 30 EFEEHM C=CCO[N-]C(=O)Cc1ccc(Br)c(Br)c1 ZINC001624256432 1099677188 /nfs/dbraw/zinc/67/71/88/1099677188.db2.gz WAXOUSGILSCAGY-UHFFFAOYSA-N -1 3 349.022 2.988 10 30 EFEEHM C#Cc1cccc(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001626494296 1099881554 /nfs/dbraw/zinc/88/15/54/1099881554.db2.gz CFZBDKLMYSJLHM-UHFFFAOYSA-N -1 3 338.313 2.718 10 30 EFEEHM N#CC1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCC1 ZINC000040692587 1099948226 /nfs/dbraw/zinc/94/82/26/1099948226.db2.gz FHIOFXDSHWMYSK-UHFFFAOYSA-N -1 3 349.637 2.827 10 30 EFEEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@@]2(C#N)CC2(C)C)s1 ZINC001628881024 1100145623 /nfs/dbraw/zinc/14/56/23/1100145623.db2.gz OBKFBWHVGIBYCK-OAHLLOKOSA-N -1 3 336.417 2.912 10 30 EFEEHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N[C@]2(C#N)CC2(C)C)s1 ZINC001628881023 1100146119 /nfs/dbraw/zinc/14/61/19/1100146119.db2.gz OBKFBWHVGIBYCK-HNNXBMFYSA-N -1 3 336.417 2.912 10 30 EFEEHM Cc1[nH]nc([N-]C(=O)c2nc(Br)sc2Cl)c1C#N ZINC001633101835 1100522495 /nfs/dbraw/zinc/52/24/95/1100522495.db2.gz XYLJKFAUCBVCLM-UHFFFAOYSA-N -1 3 346.597 2.715 10 30 EFEEHM N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC001635013270 1100640329 /nfs/dbraw/zinc/64/03/29/1100640329.db2.gz DMJFQGOVKGRHHW-INIZCTEOSA-N -1 3 325.343 2.890 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)/C(=C\c1ccc(F)cc1)c1cccs1 ZINC001636353222 1100714997 /nfs/dbraw/zinc/71/49/97/1100714997.db2.gz UJJJVHCGQIKYRT-ZVHGMHCTSA-N -1 3 346.383 2.534 10 30 EFEEHM N#CCc1cccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)n1 ZINC001636658184 1100731654 /nfs/dbraw/zinc/73/16/54/1100731654.db2.gz YIOJJJFSWSRYDZ-UHFFFAOYSA-N -1 3 340.289 2.520 10 30 EFEEHM Cc1c(Br)ccc([O-])c1NC(=O)Cc1ccc(C#N)nc1 ZINC001637613777 1100794123 /nfs/dbraw/zinc/79/41/23/1100794123.db2.gz OLKJWVPRTDECPG-UHFFFAOYSA-N -1 3 346.184 2.911 10 30 EFEEHM C#CCN1CCC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001638076137 1100831390 /nfs/dbraw/zinc/83/13/90/1100831390.db2.gz YAGIJWVWHFLIJG-LJQANCHMSA-N -1 3 348.446 2.810 10 30 EFEEHM C#C[C@@H]1COCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001638849173 1100891729 /nfs/dbraw/zinc/89/17/29/1100891729.db2.gz XLZYZAILYLKXRB-GOSISDBHSA-N -1 3 335.403 2.652 10 30 EFEEHM C[C@H]1CC[C@@H](CC(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1 ZINC001639050175 1100908172 /nfs/dbraw/zinc/90/81/72/1100908172.db2.gz RFOUMJKEZHMERU-UONOGXRCSA-N -1 3 344.411 2.717 10 30 EFEEHM CCOC(=O)c1cc(C(=O)N([O-])CCCCc2ccccc2)on1 ZINC001639062405 1100910129 /nfs/dbraw/zinc/91/01/29/1100910129.db2.gz NQNFFNAEUBGVGK-UHFFFAOYSA-N -1 3 332.356 2.706 10 30 EFEEHM COc1ccccc1CO[N-]C(=O)/C=C\C(=O)c1ccc(C)cc1 ZINC001639683955 1100973968 /nfs/dbraw/zinc/97/39/68/1100973968.db2.gz QEVOFDICMALLJY-QXMHVHEDSA-N -1 3 325.364 2.991 10 30 EFEEHM Cc1oc2ncn(C)c(=O)c2c1C(=O)N([O-])Cc1ccccc1Cl ZINC001641857824 1101170891 /nfs/dbraw/zinc/17/08/91/1101170891.db2.gz IPBYICBFNXPBSW-UHFFFAOYSA-N -1 3 347.758 2.520 10 30 EFEEHM O=C(CC1(Cn2cnnn2)CCCCC1)N([O-])Cc1ccc(F)cc1 ZINC001641877832 1101173287 /nfs/dbraw/zinc/17/32/87/1101173287.db2.gz JFBVVKRIYRLNNE-UHFFFAOYSA-N -1 3 347.394 2.571 10 30 EFEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001654744170 1101753353 /nfs/dbraw/zinc/75/33/53/1101753353.db2.gz WXFWTNROGCKUGO-VIFPVBQESA-N -1 3 329.809 2.899 10 30 EFEEHM Cn1cc(C(=O)N([O-])Cc2ccc(F)cc2)c(-c2cccnc2)n1 ZINC001654829184 1101760191 /nfs/dbraw/zinc/76/01/91/1101760191.db2.gz WWZGZDLKNNINBZ-UHFFFAOYSA-N -1 3 326.331 2.653 10 30 EFEEHM O=C([C@@H]1C[C@@H](c2ccccc2)OC1=O)N([O-])Cc1ccc(F)cc1 ZINC001654828777 1101760622 /nfs/dbraw/zinc/76/06/22/1101760622.db2.gz GQUBXXOXTUZTHL-HOTGVXAUSA-N -1 3 329.327 2.848 10 30 EFEEHM CCCCN([O-])C(=O)[C@H](C)SCc1nc2ccccc2c(=O)[nH]1 ZINC001654822144 1101760681 /nfs/dbraw/zinc/76/06/81/1101760681.db2.gz VZITVDFKJAJGQF-NSHDSACASA-N -1 3 335.429 2.975 10 30 EFEEHM C#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC001655403257 1101821749 /nfs/dbraw/zinc/82/17/49/1101821749.db2.gz YDIOJOWTWYBSDW-UHFFFAOYSA-N -1 3 341.219 2.848 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1ncccc1Br ZINC001656378445 1102044484 /nfs/dbraw/zinc/04/44/84/1102044484.db2.gz QCUCBFRZVFSOPS-UHFFFAOYSA-N -1 3 327.207 2.620 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)nn1 ZINC001266494509 1102265329 /nfs/dbraw/zinc/26/53/29/1102265329.db2.gz YXFDEGJFIGYRPO-UHFFFAOYSA-N -1 3 346.803 2.888 10 30 EFEEHM C#CCOc1ccc(CN2CCC(C(=O)[O-])(C(F)(F)F)CC2)cc1 ZINC000905741024 1103577266 /nfs/dbraw/zinc/57/72/66/1103577266.db2.gz WJDIMISQVOYLGA-UHFFFAOYSA-N -1 3 341.329 2.928 10 30 EFEEHM CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000906062139 1103872097 /nfs/dbraw/zinc/87/20/97/1103872097.db2.gz NEJZKEHUCPHPAA-HXUWFJFHSA-N -1 3 349.865 2.765 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)cc1F)C(C)C ZINC001663663907 1104185301 /nfs/dbraw/zinc/18/53/01/1104185301.db2.gz GAGSZMOEYRLUFQ-GFCCVEGCSA-N -1 3 348.237 2.833 10 30 EFEEHM C=C(CC)C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC001663857694 1104227383 /nfs/dbraw/zinc/22/73/83/1104227383.db2.gz PSYHNYGUWNPVBF-UHFFFAOYSA-N -1 3 327.299 2.969 10 30 EFEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(OC)s1 ZINC001664401788 1104379673 /nfs/dbraw/zinc/37/96/73/1104379673.db2.gz SQFWNBGLVTYPGJ-CYBMUJFWSA-N -1 3 338.454 2.617 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)Cc1cccc(Cl)c1)C(=O)OCC ZINC001665221351 1104648945 /nfs/dbraw/zinc/64/89/45/1104648945.db2.gz CIFBMOAHIYPREQ-CQSZACIVSA-N -1 3 345.848 2.657 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)Cc1ccccc1Cl)C(=O)OC ZINC001665543776 1104712083 /nfs/dbraw/zinc/71/20/83/1104712083.db2.gz CEZAVWLMZCSEMU-CQSZACIVSA-N -1 3 345.848 2.657 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)/C=C/c1ccc(C)cc1)C(=O)OCC ZINC001665797152 1104785944 /nfs/dbraw/zinc/78/59/44/1104785944.db2.gz OSWCEMOIKPAESM-SIFUEBAJSA-N -1 3 337.441 2.783 10 30 EFEEHM C#C[C@H](CC)[N-]S(=O)(=O)c1cc(C)c(Br)cc1F ZINC001668962755 1105407443 /nfs/dbraw/zinc/40/74/43/1105407443.db2.gz HIODZJYCMVMGOD-SECBINFHSA-N -1 3 334.210 2.587 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888233567 1106438957 /nfs/dbraw/zinc/43/89/57/1106438957.db2.gz MVFGVRBGCLJFON-OAHLLOKOSA-N -1 3 344.459 2.584 10 30 EFEEHM C#CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001678576844 1107202245 /nfs/dbraw/zinc/20/22/45/1107202245.db2.gz JDHWQYNNSRLAFH-INIZCTEOSA-N -1 3 342.439 2.697 10 30 EFEEHM CO[C@H]1COCC[C@@H]1CC(=O)N([O-])Cc1cccc2ccccc21 ZINC000904172140 1107689378 /nfs/dbraw/zinc/68/93/78/1107689378.db2.gz ZXBNNTTYDUPAGC-QAPCUYQASA-N -1 3 329.396 2.999 10 30 EFEEHM O=C(C[C@H](n1ccnc1)C(F)(F)F)N([O-])Cc1ccc(F)cc1 ZINC000904177713 1107693903 /nfs/dbraw/zinc/69/39/03/1107693903.db2.gz MAXGKKFMJGJVHI-LBPRGKRZSA-N -1 3 331.269 2.934 10 30 EFEEHM CCO[C@@H]1COCC[C@@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192552 1107705528 /nfs/dbraw/zinc/70/55/28/1107705528.db2.gz QALAHLPXOYZPGW-IUODEOHRSA-N -1 3 327.808 2.890 10 30 EFEEHM CCO[C@@H]1COCC[C@H]1CC(=O)N([O-])Cc1ccccc1Cl ZINC000904192553 1107706751 /nfs/dbraw/zinc/70/67/51/1107706751.db2.gz QALAHLPXOYZPGW-SWLSCSKDSA-N -1 3 327.808 2.890 10 30 EFEEHM Cc1cn2c(n1)C[C@@H](C(=O)N([O-])CCCCc1ccccc1)CC2 ZINC000904195839 1107709114 /nfs/dbraw/zinc/70/91/14/1107709114.db2.gz LQXITYGYABZYRB-KRWDZBQOSA-N -1 3 327.428 2.995 10 30 EFEEHM CCCCCCN([O-])C(=O)Cc1cccc(S(=O)(=O)CC)c1 ZINC000904204428 1107718330 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SNZZDUYIBROQPT-UHFFFAOYSA-N -1 3 337.368 2.750 10 30 EFEEHM O=C(Nc1n[n-]c(-c2cccs2)n1)c1cccc(-n2cncn2)c1 ZINC000095397584 218330256 /nfs/dbraw/zinc/33/02/56/218330256.db2.gz SNZZDUYIBROQPT-UHFFFAOYSA-N -1 3 337.368 2.750 10 30 EFEEHM CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cs1 ZINC000107704458 141357368 /nfs/dbraw/zinc/35/73/68/141357368.db2.gz MJCGHTYPVYZXFA-UHFFFAOYSA-N -1 3 341.845 2.709 10 30 EFEEHM Cc1csc([N-]C(=O)c2cc(S(C)(=O)=O)cs2)c1C#N ZINC000344903100 142094987 /nfs/dbraw/zinc/09/49/87/142094987.db2.gz UIFFCNZKQMWUER-UHFFFAOYSA-N -1 3 326.424 2.646 10 30 EFEEHM CCCc1ccc(-c2cc(=NC(=O)c3cc(C#N)ccn3)[nH][n-]2)cc1 ZINC000351663477 146171440 /nfs/dbraw/zinc/17/14/40/146171440.db2.gz BMNCPFPOBCAETQ-UHFFFAOYSA-N -1 3 331.379 2.970 10 30 EFEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000365406941 149390026 /nfs/dbraw/zinc/39/00/26/149390026.db2.gz UJPWOYJCDMLRHW-QGZVFWFLSA-N -1 3 339.376 2.614 10 30 EFEEHM CN(C)[C@H]1CCOc2c([N-]c3ncc(C#N)cc3[N+](=O)[O-])cccc21 ZINC000450485968 267290570 /nfs/dbraw/zinc/29/05/70/267290570.db2.gz APFQJUJMVCPLBB-AWEZNQCLSA-N -1 3 339.355 2.990 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccn2)C2CCC2)c(F)c1 ZINC000528499902 268259132 /nfs/dbraw/zinc/25/91/32/268259132.db2.gz QXRGDETURPPNOL-KRWDZBQOSA-N -1 3 345.399 2.912 10 30 EFEEHM CC(C)(C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)C(F)(F)F ZINC000548979748 318159760 /nfs/dbraw/zinc/15/97/60/318159760.db2.gz WRJZYEWXZZEQJN-UHFFFAOYSA-N -1 3 338.326 2.705 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC(C)(C)C(F)(F)F ZINC000549035378 318162085 /nfs/dbraw/zinc/16/20/85/318162085.db2.gz QJAAVDICNCQORK-UHFFFAOYSA-N -1 3 343.349 2.913 10 30 EFEEHM CC[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000163176291 473420120 /nfs/dbraw/zinc/42/01/20/473420120.db2.gz PIXKWWLJJRDQRI-ZDUSSCGKSA-N -1 3 339.417 2.725 10 30 EFEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184903360 473269754 /nfs/dbraw/zinc/26/97/54/473269754.db2.gz BGTHVITYZCRCBA-OAHLLOKOSA-N -1 3 344.864 2.677 10 30 EFEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)ccc1OCCOC ZINC000625328577 479868495 /nfs/dbraw/zinc/86/84/95/479868495.db2.gz XFUDWEJAFQGKIL-UHFFFAOYSA-N -1 3 345.436 2.732 10 30 EFEEHM N#Cc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1Cl ZINC000619780247 479882578 /nfs/dbraw/zinc/88/25/78/479882578.db2.gz HXHZTMHFNXDVSE-UHFFFAOYSA-N -1 3 337.766 2.983 10 30 EFEEHM C[C@H](Oc1cccc(C#N)c1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007025877 471585438 /nfs/dbraw/zinc/58/54/38/471585438.db2.gz YYECHUXBQDNKAZ-LBPRGKRZSA-N -1 3 344.392 2.580 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2nnc(-c3ccco3)[n-]2)C1 ZINC000076989434 472441523 /nfs/dbraw/zinc/44/15/23/472441523.db2.gz VFMJNARJIQDQMZ-SNVBAGLBSA-N -1 3 347.375 2.910 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2nc(-c3ccco3)n[n-]2)C1 ZINC000076989434 472441528 /nfs/dbraw/zinc/44/15/28/472441528.db2.gz VFMJNARJIQDQMZ-SNVBAGLBSA-N -1 3 347.375 2.910 10 30 EFEEHM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC000076989434 472441531 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N#Cc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)c(F)c1 ZINC000105621352 472764330 /nfs/dbraw/zinc/76/43/30/472764330.db2.gz DWDOCFNUPNYCEW-UHFFFAOYSA-N -1 3 342.754 2.968 10 30 EFEEHM C#Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000048030782 472801812 /nfs/dbraw/zinc/80/18/12/472801812.db2.gz ZVJDSVWJXXFYKT-QGZVFWFLSA-N -1 3 334.375 2.617 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nccs1 ZINC000157833898 472864681 /nfs/dbraw/zinc/86/46/81/472864681.db2.gz ISDPDJQTWUUCQI-LLVKDONJSA-N -1 3 325.390 2.583 10 30 EFEEHM COC(=O)c1cccc2nc(NC(=O)c3sccc3C#N)[n-]c21 ZINC000158457156 472937943 /nfs/dbraw/zinc/93/79/43/472937943.db2.gz OSCCQIJGJLMKPV-UHFFFAOYSA-N -1 3 326.337 2.535 10 30 EFEEHM COC(=O)c1cccc2[n-]c(NC(=O)c3sccc3C#N)nc21 ZINC000158457156 472937947 /nfs/dbraw/zinc/93/79/47/472937947.db2.gz OSCCQIJGJLMKPV-UHFFFAOYSA-N -1 3 326.337 2.535 10 30 EFEEHM C=CCN(Cc1nc2c(cnn2C)c(=O)[n-]1)[C@H]1CCc2ccccc21 ZINC000065422333 472938528 /nfs/dbraw/zinc/93/85/28/472938528.db2.gz SBSSFPVLODEGHZ-INIZCTEOSA-N -1 3 335.411 2.744 10 30 EFEEHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)on1 ZINC000114499490 473477559 /nfs/dbraw/zinc/47/75/59/473477559.db2.gz LLYGVBFWHGDFBG-UHFFFAOYSA-N -1 3 339.804 2.802 10 30 EFEEHM N#Cc1ccc([N-]S(=O)(=O)c2cccnc2)c(Br)c1 ZINC000170609127 473564666 /nfs/dbraw/zinc/56/46/66/473564666.db2.gz LSHMZXUXVBOAQQ-UHFFFAOYSA-N -1 3 338.186 2.517 10 30 EFEEHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178817737 473570651 /nfs/dbraw/zinc/57/06/51/473570651.db2.gz HNGKQUBHQQBJOE-ZDUSSCGKSA-N -1 3 348.399 2.581 10 30 EFEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000620305964 480057568 /nfs/dbraw/zinc/05/75/68/480057568.db2.gz XXFMTAXYEGAWNX-UXLLHSPISA-N -1 3 340.423 2.706 10 30 EFEEHM C=C(C)C[C@H](C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000290241639 474563151 /nfs/dbraw/zinc/56/31/51/474563151.db2.gz SCBWDBCUKSXTNQ-VOJFVSQTSA-N -1 3 340.383 2.861 10 30 EFEEHM C=CCc1cccc(C(C)C)c1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000284663433 474711849 /nfs/dbraw/zinc/71/18/49/474711849.db2.gz FBBIXKUFGQOMQC-CYBMUJFWSA-N -1 3 338.473 2.757 10 30 EFEEHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000344950667 474816046 /nfs/dbraw/zinc/81/60/46/474816046.db2.gz DRGONKYIXIZNMH-UHFFFAOYSA-N -1 3 335.351 2.709 10 30 EFEEHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)cc1C ZINC000295180218 475109088 /nfs/dbraw/zinc/10/90/88/475109088.db2.gz AIASURPMDOMQOY-STQMWFEESA-N -1 3 337.401 2.572 10 30 EFEEHM Cc1ncc(CO)c(/C=N/CC2CCN(c3ccccc3)CC2)c1[O-] ZINC000281253551 475136886 /nfs/dbraw/zinc/13/68/86/475136886.db2.gz WDQRSSGKLUCYJI-FYJGNVAPSA-N -1 3 339.439 2.923 10 30 EFEEHM O=C(NC[C@H]1CCCCN1CCO)c1c([O-])cc(Cl)cc1Cl ZINC000331326518 475338773 /nfs/dbraw/zinc/33/87/73/475338773.db2.gz MXYLNYRYBMONIS-LLVKDONJSA-N -1 3 347.242 2.850 10 30 EFEEHM N#CCCCn1cc(C(=O)NCc2ncccc2[O-])c2ccccc21 ZINC000352515700 475371305 /nfs/dbraw/zinc/37/13/05/475371305.db2.gz HWGNYZFRZWJXGS-UHFFFAOYSA-N -1 3 334.379 2.976 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccccc1F ZINC000352861349 475659715 /nfs/dbraw/zinc/65/97/15/475659715.db2.gz HFKCLYCZRKMDLC-CYBMUJFWSA-N -1 3 340.420 2.596 10 30 EFEEHM COCC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(C)o1 ZINC000352957875 475671106 /nfs/dbraw/zinc/67/11/06/475671106.db2.gz MHPQXYNEPNPGNU-AWEZNQCLSA-N -1 3 340.445 2.669 10 30 EFEEHM C=CCOc1cc(OC)ccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000352985169 475674700 /nfs/dbraw/zinc/67/47/00/475674700.db2.gz MAVSQKIUMNTIBR-HNNXBMFYSA-N -1 3 343.383 2.509 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)C)C(F)(F)F ZINC000346916506 475962057 /nfs/dbraw/zinc/96/20/57/475962057.db2.gz QNKCTHWYPGZVMG-AWEZNQCLSA-N -1 3 343.349 2.911 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)CCC1 ZINC000349622835 475979778 /nfs/dbraw/zinc/97/97/78/475979778.db2.gz HZQPAZNQGLFUBK-UHFFFAOYSA-N -1 3 325.459 2.526 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)cccc2OC(F)F)CCC1 ZINC000349657985 475982721 /nfs/dbraw/zinc/98/27/21/475982721.db2.gz SUAPFJNUNVWKHT-UHFFFAOYSA-N -1 3 348.346 2.540 10 30 EFEEHM Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3ccccc3C#N)[n-]2)o1 ZINC000359014729 476114024 /nfs/dbraw/zinc/11/40/24/476114024.db2.gz MFCHSYVJSAQGGC-NSHDSACASA-N -1 3 337.339 2.651 10 30 EFEEHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H](C)Oc3ccccc3C#N)n2)o1 ZINC000359014729 476114030 /nfs/dbraw/zinc/11/40/30/476114030.db2.gz MFCHSYVJSAQGGC-NSHDSACASA-N -1 3 337.339 2.651 10 30 EFEEHM Cc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccccc3C#N)n[n-]2)o1 ZINC000359014729 476114033 /nfs/dbraw/zinc/11/40/33/476114033.db2.gz MFCHSYVJSAQGGC-NSHDSACASA-N -1 3 337.339 2.651 10 30 EFEEHM N#CC(=C([O-])c1cncc(-n2ccnn2)c1)c1nccc2ccccc21 ZINC000338690078 476114530 /nfs/dbraw/zinc/11/45/30/476114530.db2.gz YYBSFVRUNUXUKT-QGZVFWFLSA-N -1 3 340.346 2.701 10 30 EFEEHM C[C@@H](C(=O)Nc1cc(Cc2ccccc2)ccc1[O-])n1cnc(C#N)n1 ZINC000336966410 476233673 /nfs/dbraw/zinc/23/36/73/476233673.db2.gz HELKYVRJGGAWPX-ZDUSSCGKSA-N -1 3 347.378 2.646 10 30 EFEEHM N#Cc1cccc(C2(NC(=O)c3cc(=O)c4ccccc4[n-]3)CC2)c1 ZINC000357300729 476322065 /nfs/dbraw/zinc/32/20/65/476322065.db2.gz BRUXMADJHUGUQV-UHFFFAOYSA-N -1 3 329.359 2.819 10 30 EFEEHM COCc1ccccc1CS(=O)(=O)[N-]c1ccc(C#N)c(F)c1 ZINC000357457510 476397418 /nfs/dbraw/zinc/39/74/18/476397418.db2.gz WJXPNQPXIGVKLI-UHFFFAOYSA-N -1 3 334.372 2.786 10 30 EFEEHM C=C(C)COc1cc(CNC2(c3nn[n-]n3)CCCC2)ccc1OC ZINC000354208200 476504538 /nfs/dbraw/zinc/50/45/38/476504538.db2.gz VMARPYBVOPKDAC-UHFFFAOYSA-N -1 3 343.431 2.722 10 30 EFEEHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000379440472 476726736 /nfs/dbraw/zinc/72/67/36/476726736.db2.gz JPOGNASWIJZQMZ-GFCCVEGCSA-N -1 3 336.438 2.503 10 30 EFEEHM N#C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000408405317 476950938 /nfs/dbraw/zinc/95/09/38/476950938.db2.gz QLEZZENEDVKERS-LDYMZIIASA-N -1 3 347.209 2.559 10 30 EFEEHM CCn1cc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)nc1C ZINC000431624261 477063209 /nfs/dbraw/zinc/06/32/09/477063209.db2.gz VSDIDXSSCMJTSA-INIZCTEOSA-N -1 3 346.456 2.925 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCOC2)s1 ZINC000367104919 477345911 /nfs/dbraw/zinc/34/59/11/477345911.db2.gz BSMPZHVVRVCUPH-XJKSGUPXSA-N -1 3 348.449 2.676 10 30 EFEEHM Cc1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1[O-] ZINC000371541438 477379592 /nfs/dbraw/zinc/37/95/92/477379592.db2.gz BCGDXIUDGIQZGB-UHFFFAOYSA-N -1 3 349.434 2.989 10 30 EFEEHM C=CCN=c1[n-]nc(S[C@H]2CCN(Cc3ccccc3)C2)s1 ZINC000412978014 477460816 /nfs/dbraw/zinc/46/08/16/477460816.db2.gz MKAAVUOKKGZMPA-AWEZNQCLSA-N -1 3 332.498 2.925 10 30 EFEEHM CCc1ccc([C@@H](C#N)NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1 ZINC000436729688 477571839 /nfs/dbraw/zinc/57/18/39/477571839.db2.gz BJSQBXQBUJBKIQ-QGZVFWFLSA-N -1 3 337.379 2.908 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000425180140 477661525 /nfs/dbraw/zinc/66/15/25/477661525.db2.gz RLKZAPIBXQJIAR-CABZTGNLSA-N -1 3 336.240 2.863 10 30 EFEEHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000437506171 477712209 /nfs/dbraw/zinc/71/22/09/477712209.db2.gz GIZXPARLTOCDHA-CZUORRHYSA-N -1 3 331.412 2.817 10 30 EFEEHM N#Cc1c(C#N)c(NCc2ncccc2[O-])nc2c1CCCCCC2 ZINC000530431657 477884462 /nfs/dbraw/zinc/88/44/62/477884462.db2.gz STFOBZKGJLLDQX-UHFFFAOYSA-N -1 3 333.395 2.619 10 30 EFEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000451736741 478184500 /nfs/dbraw/zinc/18/45/00/478184500.db2.gz OOEYCZFYCNDENT-UWVGGRQHSA-N -1 3 343.792 2.609 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000600278849 478320749 /nfs/dbraw/zinc/32/07/49/478320749.db2.gz JXPQYESQTXOPAG-KGLIPLIRSA-N -1 3 345.468 2.705 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(OC(F)F)CC2)c(F)c1 ZINC000590764555 478327876 /nfs/dbraw/zinc/32/78/76/478327876.db2.gz PMKGNKBWQSVHNI-UHFFFAOYSA-N -1 3 348.346 2.526 10 30 EFEEHM C=CCCCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000580464465 478363172 /nfs/dbraw/zinc/36/31/72/478363172.db2.gz QOXVMBDHPLHRGA-INIZCTEOSA-N -1 3 330.428 2.859 10 30 EFEEHM N#Cc1ccc(C2(NC(=O)c3cc(=O)[n-]c(C4CC4)n3)CCC2)cc1 ZINC000594403631 478366471 /nfs/dbraw/zinc/36/64/71/478366471.db2.gz KOPYEGUCNDOYPC-UHFFFAOYSA-N -1 3 334.379 2.740 10 30 EFEEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594478475 478403264 /nfs/dbraw/zinc/40/32/64/478403264.db2.gz IASMZQVORRVWJP-LBPRGKRZSA-N -1 3 344.864 2.941 10 30 EFEEHM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000594479337 478403595 /nfs/dbraw/zinc/40/35/95/478403595.db2.gz SFPARHPSJSCYJY-LBPRGKRZSA-N -1 3 344.864 2.941 10 30 EFEEHM CCOc1ccncc1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000594806426 478547247 /nfs/dbraw/zinc/54/72/47/478547247.db2.gz AJUQYBBFCNRIAM-UHFFFAOYSA-N -1 3 345.424 2.566 10 30 EFEEHM N#CC[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000597906797 478568241 /nfs/dbraw/zinc/56/82/41/478568241.db2.gz ZPKLONNZKHGDCS-LLVKDONJSA-N -1 3 337.217 2.849 10 30 EFEEHM COc1cc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc(OC)c1[O-] ZINC000597949053 478592590 /nfs/dbraw/zinc/59/25/90/478592590.db2.gz CXBCGFMDKLHJRA-UHFFFAOYSA-N -1 3 340.379 2.946 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cscn1 ZINC000598014955 478616853 /nfs/dbraw/zinc/61/68/53/478616853.db2.gz PMONUDZYXQJSSC-LLVKDONJSA-N -1 3 330.413 2.542 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CC[C@H]2CCc3ccccc3N2)s1 ZINC000595112548 478663935 /nfs/dbraw/zinc/66/39/35/478663935.db2.gz FCPBJCNRNBKCJO-CYBMUJFWSA-N -1 3 347.465 2.715 10 30 EFEEHM N#CC1CCC(CN=c2cc(-c3ccccc3)n3[n-]cnc3n2)CC1 ZINC000601159248 478695731 /nfs/dbraw/zinc/69/57/31/478695731.db2.gz FKELBDGLLYKYFU-UHFFFAOYSA-N -1 3 332.411 2.955 10 30 EFEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCC(F)CC1 ZINC000595360038 478747340 /nfs/dbraw/zinc/74/73/40/478747340.db2.gz WTKUYYMZDFJPCU-XSRFYTQQSA-N -1 3 328.384 2.892 10 30 EFEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000592086152 478768093 /nfs/dbraw/zinc/76/80/93/478768093.db2.gz OUIHKUPKPGQYMS-BETUJISGSA-N -1 3 342.848 2.836 10 30 EFEEHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]C[C@H]1C(C)(C)C1(F)F ZINC000601468222 478846265 /nfs/dbraw/zinc/84/62/65/478846265.db2.gz LKIFAQODMZTJJI-NSHDSACASA-N -1 3 332.347 2.575 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H](C2CCC2)[C@H]2CCCO2)CCCCC1 ZINC000601521028 478863625 /nfs/dbraw/zinc/86/36/25/478863625.db2.gz VXVKROFIIIRDCE-HZPDHXFCSA-N -1 3 340.489 2.728 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCO[C@@H](C)C2)no1 ZINC000545094572 478885757 /nfs/dbraw/zinc/88/57/57/478885757.db2.gz YCCWJRPVRMYXBH-GXFFZTMASA-N -1 3 342.399 2.726 10 30 EFEEHM N#CC[C@H]1CCCN(Cc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)C1 ZINC000595619947 478894655 /nfs/dbraw/zinc/89/46/55/478894655.db2.gz HNGUTPQHYMSWND-CQSZACIVSA-N -1 3 348.410 2.647 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)OC ZINC000601780732 479000762 /nfs/dbraw/zinc/00/07/62/479000762.db2.gz CFLAPCAOTFMQRB-GFCCVEGCSA-N -1 3 331.290 2.649 10 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/nfs/dbraw/zinc/08/53/36/479085336.db2.gz BZDPUHVPXOEGSV-LJQANCHMSA-N -1 3 344.418 2.779 10 30 EFEEHM C=CCCCCCNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000566686616 479095408 /nfs/dbraw/zinc/09/54/08/479095408.db2.gz BTMFEUKNODQBOT-UHFFFAOYSA-N -1 3 328.409 2.673 10 30 EFEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000592949774 479106732 /nfs/dbraw/zinc/10/67/32/479106732.db2.gz NCDVGOHPFCKVBB-UHFFFAOYSA-N -1 3 326.375 2.945 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000573741942 479133914 /nfs/dbraw/zinc/13/39/14/479133914.db2.gz ONNJMCFRNNQUHM-UHFFFAOYSA-N -1 3 329.393 2.637 10 30 EFEEHM C=C(C)[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)c1ccc(F)c(F)c1 ZINC000549725707 479142979 /nfs/dbraw/zinc/14/29/79/479142979.db2.gz IDORFVRJBWISMM-OAHLLOKOSA-N -1 3 348.353 2.574 10 30 EFEEHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C1 ZINC000584469912 479146951 /nfs/dbraw/zinc/14/69/51/479146951.db2.gz CPTXHQXEHQLGNO-RHSMWYFYSA-N -1 3 331.441 2.645 10 30 EFEEHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccccc2)CCCCCC1 ZINC000529426847 479157065 /nfs/dbraw/zinc/15/70/65/479157065.db2.gz IDVPUSVQOKUVOL-MRXNPFEDSA-N -1 3 330.428 2.775 10 30 EFEEHM C=CCc1cc(CN[C@@H](CC(=O)[O-])c2ccncc2)cc(OC)c1O ZINC000569708010 479160818 /nfs/dbraw/zinc/16/08/18/479160818.db2.gz FYBDWKVKNHIXSE-INIZCTEOSA-N -1 3 342.395 2.830 10 30 EFEEHM C=CCc1cc(CN[C@H](CC(=O)[O-])c2ccncc2)cc(OC)c1O ZINC000569708011 479160879 /nfs/dbraw/zinc/16/08/79/479160879.db2.gz FYBDWKVKNHIXSE-MRXNPFEDSA-N -1 3 342.395 2.830 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(CC(F)(F)F)C1 ZINC000610745005 479175185 /nfs/dbraw/zinc/17/51/85/479175185.db2.gz PMLJTRNNNCQVPO-UHFFFAOYSA-N -1 3 341.333 2.619 10 30 EFEEHM COc1nccc2cc([N-]S(=O)(=O)CCC(C)(C)C#N)ccc21 ZINC000574088924 479214909 /nfs/dbraw/zinc/21/49/09/479214909.db2.gz KDFJVOFOUIIAOI-UHFFFAOYSA-N -1 3 333.413 2.925 10 30 EFEEHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000599336473 479259836 /nfs/dbraw/zinc/25/98/36/479259836.db2.gz NEPXUHFCUCQXSF-HNNXBMFYSA-N -1 3 340.420 2.517 10 30 EFEEHM N#Cc1ccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)c(F)c1 ZINC000611017335 479264895 /nfs/dbraw/zinc/26/48/95/479264895.db2.gz LNDDLHKFGCSBFD-UHFFFAOYSA-N -1 3 349.774 2.701 10 30 EFEEHM Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c(C)cn1 ZINC000593275655 479270866 /nfs/dbraw/zinc/27/08/66/479270866.db2.gz IYYZNXARRNBBIG-UHFFFAOYSA-N -1 3 329.425 2.722 10 30 EFEEHM C[C@@]1(C#N)CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000596493120 479316138 /nfs/dbraw/zinc/31/61/38/479316138.db2.gz GQDPWOVZZOBXMX-AWEZNQCLSA-N -1 3 338.205 2.600 10 30 EFEEHM CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000611280147 479335126 /nfs/dbraw/zinc/33/51/26/479335126.db2.gz ZWZGMWWEYNUVPK-GOSISDBHSA-N -1 3 341.455 2.577 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]CCCOC1CCCCC1 ZINC000593527146 479378311 /nfs/dbraw/zinc/37/83/11/479378311.db2.gz RAXOPFXCEDUUAY-UHFFFAOYSA-N -1 3 328.459 2.637 10 30 EFEEHM Cc1cccc(OC[C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593534733 479380168 /nfs/dbraw/zinc/38/01/68/479380168.db2.gz RLLUJCIVCROTJH-LBPRGKRZSA-N -1 3 336.438 2.674 10 30 EFEEHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593546628 479384210 /nfs/dbraw/zinc/38/42/10/479384210.db2.gz HZZRWFIPAJEVGI-BXUZGUMPSA-N -1 3 342.486 2.739 10 30 EFEEHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593546629 479384299 /nfs/dbraw/zinc/38/42/99/479384299.db2.gz HZZRWFIPAJEVGI-FZMZJTMJSA-N -1 3 342.486 2.739 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000593558281 479387233 /nfs/dbraw/zinc/38/72/33/479387233.db2.gz UCLVNQACRONKQW-UHFFFAOYSA-N -1 3 336.413 2.769 10 30 EFEEHM Cc1ccccc1O[C@@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593558332 479387303 /nfs/dbraw/zinc/38/73/03/479387303.db2.gz VUPYIPWVXIVZGI-LBPRGKRZSA-N -1 3 336.438 2.674 10 30 EFEEHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574074 479391644 /nfs/dbraw/zinc/39/16/44/479391644.db2.gz XOGAKLSVBXPGIR-OLZOCXBDSA-N -1 3 342.486 2.882 10 30 EFEEHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574076 479391707 /nfs/dbraw/zinc/39/17/07/479391707.db2.gz XOGAKLSVBXPGIR-STQMWFEESA-N -1 3 342.486 2.882 10 30 EFEEHM CC(C)(C)OC1CC(CC[N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593584144 479394420 /nfs/dbraw/zinc/39/44/20/479394420.db2.gz DMZIHMIUQHRTJD-UHFFFAOYSA-N -1 3 342.486 2.882 10 30 EFEEHM CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593589595 479395883 /nfs/dbraw/zinc/39/58/83/479395883.db2.gz WBNBQNKCCBWPSK-QMMMGPOBSA-N -1 3 326.365 2.875 10 30 EFEEHM CCc1ncc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593607739 479401127 /nfs/dbraw/zinc/40/11/27/479401127.db2.gz HTZRFZIVJZXTCN-UHFFFAOYSA-N -1 3 333.413 2.517 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(-c3ccccc3)no2)CCCC1 ZINC000593619672 479404885 /nfs/dbraw/zinc/40/48/85/479404885.db2.gz DYVMJNNDRVSQJK-UHFFFAOYSA-N -1 3 345.424 2.845 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)CCCC1 ZINC000593623852 479406678 /nfs/dbraw/zinc/40/66/78/479406678.db2.gz RFIOVUFNVXBCNL-UHFFFAOYSA-N -1 3 348.346 2.789 10 30 EFEEHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H]1CCCCO1 ZINC000594183638 479621322 /nfs/dbraw/zinc/62/13/22/479621322.db2.gz ORBHKCNPDCMYJI-DLBZAZTESA-N -1 3 345.443 2.672 10 30 EFEEHM CCOc1nc2cc(C(=O)NCc3ccc(C#N)cc3F)ccc2[n-]1 ZINC000618934436 479644241 /nfs/dbraw/zinc/64/42/41/479644241.db2.gz IEDKQNXORPCFAJ-UHFFFAOYSA-N -1 3 338.342 2.902 10 30 EFEEHM CCOc1nc2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2[n-]1 ZINC000618934436 479644248 /nfs/dbraw/zinc/64/42/48/479644248.db2.gz IEDKQNXORPCFAJ-UHFFFAOYSA-N -1 3 338.342 2.902 10 30 EFEEHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000625180511 479802819 /nfs/dbraw/zinc/80/28/19/479802819.db2.gz OWYIACRUMODWAP-NHYWBVRUSA-N -1 3 331.384 2.533 10 30 EFEEHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H](C)c1cccc(C#N)c1)c2=O ZINC000610366763 480291601 /nfs/dbraw/zinc/29/16/01/480291601.db2.gz VRKMYHVRYCIWBT-GFCCVEGCSA-N -1 3 347.374 2.899 10 30 EFEEHM O=C(COCC(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000626427395 480353479 /nfs/dbraw/zinc/35/34/79/480353479.db2.gz PLAOTXWZYPANAY-NSHDSACASA-N -1 3 333.203 2.966 10 30 EFEEHM CC(=O)c1ccc(C(=O)N2CCc3c(CC#N)cccc3C2)cc1[O-] ZINC000629732923 480374884 /nfs/dbraw/zinc/37/48/84/480374884.db2.gz IBFMOXIRHKMDJT-UHFFFAOYSA-N -1 3 334.375 2.859 10 30 EFEEHM C=C(C)COc1cccc([N-]S(=O)(=O)CC2(OC)CCC2)c1 ZINC000634788814 480524689 /nfs/dbraw/zinc/52/46/89/480524689.db2.gz KLMJWFBDTKQRBR-UHFFFAOYSA-N -1 3 325.430 2.952 10 30 EFEEHM C=CCOc1cccc([N-]S(=O)(=O)CCOCC2CCC2)c1 ZINC000645640365 480905311 /nfs/dbraw/zinc/90/53/11/480905311.db2.gz XYMZURDBAVPKBU-UHFFFAOYSA-N -1 3 325.430 2.810 10 30 EFEEHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645749317 480924654 /nfs/dbraw/zinc/92/46/54/480924654.db2.gz SEPMGNDQYCMRHJ-CYBMUJFWSA-N -1 3 325.455 2.815 10 30 EFEEHM C=CCOCCCNC(=O)NCc1ccc([O-])c(Br)c1 ZINC000661793330 481320712 /nfs/dbraw/zinc/32/07/12/481320712.db2.gz JUDOKPBGMQMDKE-UHFFFAOYSA-N -1 3 343.221 2.547 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c(F)c1 ZINC000564187764 518196660 /nfs/dbraw/zinc/19/66/60/518196660.db2.gz LFLVCLSCAQWPEJ-UHFFFAOYSA-N -1 3 332.347 2.800 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@H](CO)c1cccc(Br)c1 ZINC000294470197 534577621 /nfs/dbraw/zinc/57/76/21/534577621.db2.gz HUSVMCUBSGRJHU-LLVKDONJSA-N -1 3 334.160 2.810 10 30 EFEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(O)cc1[O-] ZINC000194440699 534839797 /nfs/dbraw/zinc/83/97/97/534839797.db2.gz AQDULQSAOFYRMS-UHFFFAOYSA-N -1 3 328.324 2.834 10 30 EFEEHM C[C@H](Oc1ccccc1C#N)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000181105954 525961414 /nfs/dbraw/zinc/96/14/14/525961414.db2.gz BCSLGXGMPSENMA-ZDUSSCGKSA-N -1 3 333.351 2.545 10 30 EFEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000064343111 526117951 /nfs/dbraw/zinc/11/79/51/526117951.db2.gz MNIAWVATZCYKOY-UHFFFAOYSA-N -1 3 330.347 2.869 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1COc2ccccc21 ZINC000156907297 526520534 /nfs/dbraw/zinc/52/05/34/526520534.db2.gz GLBQGZFNJDEMOQ-CYBMUJFWSA-N -1 3 334.784 2.624 10 30 EFEEHM N#Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000181769632 526721011 /nfs/dbraw/zinc/72/10/11/526721011.db2.gz VZVXIAPQYVRPIW-INIZCTEOSA-N -1 3 335.363 2.507 10 30 EFEEHM C=CCOCCCC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000173827191 526744018 /nfs/dbraw/zinc/74/40/18/526744018.db2.gz PDQBSKDNYKDKLH-UHFFFAOYSA-N -1 3 327.384 2.667 10 30 EFEEHM CCCCCCCS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC000367035253 534989416 /nfs/dbraw/zinc/98/94/16/534989416.db2.gz ITTVUMMWVGTBKQ-OAHLLOKOSA-N -1 3 336.461 2.784 10 30 EFEEHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(F)cc3nn[n-]c31)CC2 ZINC000328663600 535128693 /nfs/dbraw/zinc/12/86/93/535128693.db2.gz YAUFRPIFIADKOG-LBPRGKRZSA-N -1 3 342.378 2.737 10 30 EFEEHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(F)cc3[n-]nnc31)CC2 ZINC000328663600 535128697 /nfs/dbraw/zinc/12/86/97/535128697.db2.gz YAUFRPIFIADKOG-LBPRGKRZSA-N -1 3 342.378 2.737 10 30 EFEEHM CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(F)cc3n[n-]nc31)CC2 ZINC000328663600 535128700 /nfs/dbraw/zinc/12/87/00/535128700.db2.gz YAUFRPIFIADKOG-LBPRGKRZSA-N -1 3 342.378 2.737 10 30 EFEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000320209383 545814274 /nfs/dbraw/zinc/81/42/74/545814274.db2.gz XMNYBSAVHLPHFC-JTQLQIEISA-N -1 3 338.256 2.826 10 30 EFEEHM C=CCOCCNC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000672941654 547831785 /nfs/dbraw/zinc/83/17/85/547831785.db2.gz YSWSFPZVAVWNAQ-UHFFFAOYSA-N -1 3 325.364 2.556 10 30 EFEEHM C=C(C)[C@@H](CO)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000677130388 548625282 /nfs/dbraw/zinc/62/52/82/548625282.db2.gz DZJTYTNJAVGMOQ-CYBMUJFWSA-N -1 3 328.397 2.550 10 30 EFEEHM C=CCOCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000679474381 549132946 /nfs/dbraw/zinc/13/29/46/549132946.db2.gz JEFWRSGYDLKRLC-UHFFFAOYSA-N -1 3 343.754 2.840 10 30 EFEEHM Cc1cnc2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cn12 ZINC000252500113 564119787 /nfs/dbraw/zinc/11/97/87/564119787.db2.gz SNFNWZLWYMLHBT-UHFFFAOYSA-N -1 3 326.381 2.624 10 30 EFEEHM O=C1[N-]c2c(cccc2F)C1=NNc1ccc(Br)cn1 ZINC000753961817 575366978 /nfs/dbraw/zinc/36/69/78/575366978.db2.gz ZXTKKDZMUPANDR-UHFFFAOYSA-N -1 3 335.136 2.752 10 30 EFEEHM C=CCc1cc(OC)cc(CN(C)Cc2nc([C@@H](C)OC)no2)c1[O-] ZINC000754735779 575480260 /nfs/dbraw/zinc/48/02/60/575480260.db2.gz BKLCGTGVAHQCAN-GFCCVEGCSA-N -1 3 347.415 2.852 10 30 EFEEHM COc1ccc(-n2cc(C/N=C/c3c([O-])cccc3OC)nn2)cc1 ZINC000755030998 575532616 /nfs/dbraw/zinc/53/26/16/575532616.db2.gz DIWIBVVMWPRYTQ-YBFXNURJSA-N -1 3 338.367 2.609 10 30 EFEEHM C#Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2[O-])CCCC3)c1 ZINC000755093774 575540280 /nfs/dbraw/zinc/54/02/80/575540280.db2.gz XZPACEOPNPIRTH-UHFFFAOYSA-N -1 3 348.402 2.621 10 30 EFEEHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2ccc([O-])cn2)C1=O ZINC000755553425 575601299 /nfs/dbraw/zinc/60/12/99/575601299.db2.gz DDRHQMMJYAWYIP-KRWDZBQOSA-N -1 3 332.404 2.792 10 30 EFEEHM COc1ccc([C@H](NCc2ccc(OC)c(C#N)c2)C(=O)[O-])cc1F ZINC000756362277 575723257 /nfs/dbraw/zinc/72/32/57/575723257.db2.gz KKCHDLXURIOLFH-KRWDZBQOSA-N -1 3 344.342 2.630 10 30 EFEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)CC2 ZINC000758402884 575868868 /nfs/dbraw/zinc/86/88/68/575868868.db2.gz NDIQSNWUDTUJML-OAHLLOKOSA-N -1 3 334.441 2.840 10 30 EFEEHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000758460536 575870226 /nfs/dbraw/zinc/87/02/26/575870226.db2.gz LRBSPZZLFQYRAI-MRXNPFEDSA-N -1 3 331.372 2.522 10 30 EFEEHM Cc1ncc(CO)c(/C=N/Cc2nc3ccccc3n2C2CC2)c1[O-] ZINC000758816027 575877894 /nfs/dbraw/zinc/87/78/94/575877894.db2.gz PIGFTLLRDYRZTD-AWQFTUOYSA-N -1 3 336.395 2.892 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccccc2-n2cccn2)c1[O-] ZINC000759641647 575914329 /nfs/dbraw/zinc/91/43/29/575914329.db2.gz DTGXKTUINZNEAG-SRRANQMSSA-N -1 3 336.395 2.954 10 30 EFEEHM C=CCc1cc(OCC)cc(CN2CCN3C(=O)OCC[C@@H]3C2)c1[O-] ZINC000763314898 576372287 /nfs/dbraw/zinc/37/22/87/576372287.db2.gz PBJVZVOVAZXJEK-MRXNPFEDSA-N -1 3 346.427 2.546 10 30 EFEEHM CCOc1ccc(/C=N\[C@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000766284429 577130976 /nfs/dbraw/zinc/13/09/76/577130976.db2.gz SAXMRFTUWDSJDL-DEFALTHMSA-N -1 3 342.443 2.921 10 30 EFEEHM CCOc1ccc(/C=N/[C@H]2CCCN(c3cc(C)nn3C)C2)c([O-])c1 ZINC000766284430 577130996 /nfs/dbraw/zinc/13/09/96/577130996.db2.gz SAXMRFTUWDSJDL-DORSJAEJSA-N -1 3 342.443 2.921 10 30 EFEEHM COC(=O)CCCC[C@@H](C)C(C)N=Nc1cn[n-]c(=O)c1Cl ZINC000767760759 577232357 /nfs/dbraw/zinc/23/23/57/577232357.db2.gz DSSVAAMIHYGFPH-SECBINFHSA-N -1 3 328.800 2.993 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(-c2ccccc2)n[nH]1 ZINC000767779619 577233728 /nfs/dbraw/zinc/23/37/28/577233728.db2.gz OSCPYQOFKWUBIV-UHFFFAOYSA-N -1 3 340.408 2.530 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(-c2ccccc2)[nH]n1 ZINC000767779619 577233731 /nfs/dbraw/zinc/23/37/31/577233731.db2.gz OSCPYQOFKWUBIV-UHFFFAOYSA-N -1 3 340.408 2.530 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000773058110 581391858 /nfs/dbraw/zinc/39/18/58/581391858.db2.gz RBRLPXUXYQPGGW-KGLIPLIRSA-N -1 3 348.251 2.594 10 30 EFEEHM CCOc1ccc(/C=N\Cc2cccc(N3CCOCC3)n2)c([O-])c1 ZINC000773905810 581473206 /nfs/dbraw/zinc/47/32/06/581473206.db2.gz PERXAHQJTWPUAY-MOSHPQCFSA-N -1 3 341.411 2.642 10 30 EFEEHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=Cc1ccc(C)nc1 ZINC000773979844 581476521 /nfs/dbraw/zinc/47/65/21/581476521.db2.gz LKCUOWLPKUFRQX-FJVVXJACSA-N -1 3 335.363 2.759 10 30 EFEEHM C=C(C)CCC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746959511 1247961467 /nfs/dbraw/zinc/96/14/67/1247961467.db2.gz PLNHZFVSGKGPOG-HOCLYGCPSA-N -1 3 330.428 2.763 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001744812218 1248031458 /nfs/dbraw/zinc/03/14/58/1248031458.db2.gz HHYWUZAZEYNWQP-INIZCTEOSA-N -1 3 342.439 2.554 10 30 EFEEHM CC[C@H](C)CCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001649040212 1257637473 /nfs/dbraw/zinc/63/74/73/1257637473.db2.gz ACESSISMSGQPHW-ZDUSSCGKSA-N -1 3 332.400 2.717 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C(F)(F)F ZINC000921620987 1257743719 /nfs/dbraw/zinc/74/37/19/1257743719.db2.gz XQJFEUIFGBDQCS-IONNQARKSA-N -1 3 338.738 2.688 10 30 EFEEHM Cc1cc(C)n2nc(C(=O)N([O-])CCCCc3ccccc3)nc2n1 ZINC001649046005 1257974538 /nfs/dbraw/zinc/97/45/38/1257974538.db2.gz IPAKVLJBHWZENC-UHFFFAOYSA-N -1 3 339.399 2.595 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 ZINC001649051573 1258020500 /nfs/dbraw/zinc/02/05/00/1258020500.db2.gz BMYRLFAHFMWTEG-CQSZACIVSA-N -1 3 334.416 2.846 10 30 EFEEHM CCCCN([O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001649060767 1258095860 /nfs/dbraw/zinc/09/58/60/1258095860.db2.gz AYVJMHHTZQCLDV-HNNXBMFYSA-N -1 3 349.387 2.526 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C[C@]2(c3ccccc3)CCCO2)CCCC1 ZINC000921915620 1263370693 /nfs/dbraw/zinc/37/06/93/1263370693.db2.gz VSCHJWZOVPBENQ-SFHVURJKSA-N -1 3 348.468 2.696 10 30 EFEEHM CCc1onc(C)c1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000922033599 1264185164 /nfs/dbraw/zinc/18/51/64/1264185164.db2.gz UEYADQXJYVNCCO-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM CC[C@H](C)n1ncc(C([O-])=C(C#N)C(=O)Nc2ccccn2)c1C ZINC000791784174 1278374924 /nfs/dbraw/zinc/37/49/24/1278374924.db2.gz QCZRLCJPODWREM-AAEUAGOBSA-N -1 3 325.372 2.519 10 30 EFEEHM COC(=O)c1[n-]cnc1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001128946681 1271912113 /nfs/dbraw/zinc/91/21/13/1271912113.db2.gz CNYJIXYZNKUMPH-UHFFFAOYSA-N -1 3 345.358 2.848 10 30 EFEEHM COC(=O)c1nc[n-]c1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001128946681 1271912122 /nfs/dbraw/zinc/91/21/22/1271912122.db2.gz CNYJIXYZNKUMPH-UHFFFAOYSA-N -1 3 345.358 2.848 10 30 EFEEHM C=CCC[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)CC)c1ccccc1 ZINC000866990940 1272798678 /nfs/dbraw/zinc/79/86/78/1272798678.db2.gz DZQGFYYMAJUHIL-VBKZILBWSA-N -1 3 330.475 2.646 10 30 EFEEHM C/C(=C/c1c(Cl)cccc1Cl)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820143590 1277044166 /nfs/dbraw/zinc/04/41/66/1277044166.db2.gz LFRUJDFAHKHSSC-KRZKBDHCSA-N -1 3 329.183 2.503 10 30 EFEEHM Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)c(Sc2ccccc2)c1 ZINC000820174871 1277060355 /nfs/dbraw/zinc/06/03/55/1277060355.db2.gz NWXAOHWDVRLSLS-HNNXBMFYSA-N -1 3 342.420 2.866 10 30 EFEEHM C[C@H](C(=O)[O-])N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923272302 1277443207 /nfs/dbraw/zinc/44/32/07/1277443207.db2.gz GTPGZFZOPGMMNS-PBXRRBTRSA-N -1 3 341.198 2.562 10 30 EFEEHM O=C(OCC#Cc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000791322330 1278034724 /nfs/dbraw/zinc/03/47/24/1278034724.db2.gz PMOVPCJFODJQQJ-GOSISDBHSA-N -1 3 349.386 2.592 10 30 EFEEHM CCCCCCCCCS(=O)(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000845906208 1279926437 /nfs/dbraw/zinc/92/64/37/1279926437.db2.gz BQZJWWOSGMWRCE-UHFFFAOYSA-N -1 3 341.477 2.621 10 30 EFEEHM Cc1ccc(Br)c(CS(=O)(=O)[N-][C@@H](C#N)C(C)C)c1 ZINC000872003147 1287391538 /nfs/dbraw/zinc/39/15/38/1287391538.db2.gz IVNIGIDJINPZIS-ZDUSSCGKSA-N -1 3 345.262 2.725 10 30 EFEEHM C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000846547501 1280241054 /nfs/dbraw/zinc/24/10/54/1280241054.db2.gz AKPQZBMSDYLREU-NEPJUHHUSA-N -1 3 343.349 2.939 10 30 EFEEHM C#CC[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000888593669 1287422395 /nfs/dbraw/zinc/42/23/95/1287422395.db2.gz GDLDXYPQLMWWGL-NSHDSACASA-N -1 3 337.217 2.710 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(C)(C)C ZINC000805147483 1280458374 /nfs/dbraw/zinc/45/83/74/1280458374.db2.gz YMDBSVDWPCPKPI-GFCCVEGCSA-N -1 3 348.237 2.914 10 30 EFEEHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000805149250 1280459934 /nfs/dbraw/zinc/45/99/34/1280459934.db2.gz ZRISSAZGZYSOBJ-GFCCVEGCSA-N -1 3 330.793 2.574 10 30 EFEEHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N(CCC)CCC ZINC000747617346 1283422276 /nfs/dbraw/zinc/42/22/76/1283422276.db2.gz VQNUMPHPMUHOQY-UHFFFAOYSA-N -1 3 328.409 2.616 10 30 EFEEHM C=CCOc1ccc(CC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC001134128698 1286354125 /nfs/dbraw/zinc/35/41/25/1286354125.db2.gz UHALXTNPMOZRKL-UHFFFAOYSA-N -1 3 326.278 2.570 10 30 EFEEHM C=CCOc1ccc(CC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC001134128698 1286354134 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C#C[C@H]([N-]C(=O)C(F)(F)c1cnc(Cl)c(C)c1)C1CCOCC1 ZINC000825667466 1289688010 /nfs/dbraw/zinc/68/80/10/1289688010.db2.gz YCPYMJHJHJEKJZ-ZDUSSCGKSA-N -1 3 342.773 2.680 10 30 EFEEHM N#Cc1cccc(-c2nc([N-]C(=O)c3ncnc4sccc43)n[nH]2)c1 ZINC001649154601 1289697939 /nfs/dbraw/zinc/69/79/39/1289697939.db2.gz PJYRCFZSWIHLHG-UHFFFAOYSA-N -1 3 347.363 2.600 10 30 EFEEHM Cc1cc([O-])c(CN2CCN(c3ncccc3C#N)CC2)cc1Cl ZINC000824542183 1289709048 /nfs/dbraw/zinc/70/90/48/1289709048.db2.gz PTFKJTKHTGBMNN-UHFFFAOYSA-N -1 3 342.830 2.943 10 30 EFEEHM Cc1cn2nc(C(=O)N([O-])Cc3cccc4ccccc43)cc2c(=O)[nH]1 ZINC001184349169 1290451080 /nfs/dbraw/zinc/45/10/80/1290451080.db2.gz XQIVAXGKRIBGDG-UHFFFAOYSA-N -1 3 348.362 2.516 10 30 EFEEHM Cn1ncc2c1nc(SCc1cc(Cl)cc(C#N)c1)[n-]c2=O ZINC001166524059 1312788415 /nfs/dbraw/zinc/78/84/15/1312788415.db2.gz DUXXQFLPBWEYLO-UHFFFAOYSA-N -1 3 331.788 2.886 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H]1CCCOC1 ZINC000882445221 1293204017 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C=CCC1(C(=O)N2CC[C@@H]2CN(C)C(=O)c2ccccc2[O-])CCC1 ZINC001489713856 1298317051 /nfs/dbraw/zinc/31/70/51/1298317051.db2.gz MOXUZOIQQZLCQI-OAHLLOKOSA-N -1 3 342.439 2.812 10 30 EFEEHM [O-]c1csc(NN=Cc2ccccc2OCC2=CC[C@@H](F)C=C2)n1 ZINC000254386104 1299378922 /nfs/dbraw/zinc/37/89/22/1299378922.db2.gz QPJSRRDJNPDABQ-AWEZNQCLSA-N -1 3 345.399 2.843 10 30 EFEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC[C@@H]1Cc1ccccn1 ZINC000853293552 1300077841 /nfs/dbraw/zinc/07/78/41/1300077841.db2.gz KCJLCNVMWUZAFQ-MRXNPFEDSA-N -1 3 343.452 2.900 10 30 EFEEHM O=C(Cc1ccc(C2CCCCC2)cc1)N[C@H]1CCCN([O-])C1=O ZINC000854648661 1300651568 /nfs/dbraw/zinc/65/15/68/1300651568.db2.gz HMLLZHNSERBKCO-KRWDZBQOSA-N -1 3 330.428 2.773 10 30 EFEEHM CC(C)(CN=Nc1nc2ccccc2[n-]c1=S)N1CCOCC1 ZINC000863125234 1302537291 /nfs/dbraw/zinc/53/72/91/1302537291.db2.gz QLXNXOHDOJURKP-UHFFFAOYSA-N -1 3 331.445 2.801 10 30 EFEEHM [O-]c1ccc(Cl)cc1/C=N/C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000864345930 1302894826 /nfs/dbraw/zinc/89/48/26/1302894826.db2.gz 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ZINC001281449280 1318320032 /nfs/dbraw/zinc/32/00/32/1318320032.db2.gz XGNLLRARVNSNJP-GJZGRUSLSA-N -1 3 342.439 2.525 10 30 EFEEHM CC#CCCCC(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001281543992 1318430476 /nfs/dbraw/zinc/43/04/76/1318430476.db2.gz QHZFEOSGRCRPKV-UHFFFAOYSA-N -1 3 342.439 2.602 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@H]2CN(C(=O)c3ccccc3[O-])C[C@@]2(C)C1 ZINC001282441366 1318943245 /nfs/dbraw/zinc/94/32/45/1318943245.db2.gz JOFMCOKCGQDWSL-MGPUTAFESA-N -1 3 342.439 2.669 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001283366952 1319602446 /nfs/dbraw/zinc/60/24/46/1319602446.db2.gz HNQWYSZQNAVDHX-AWEZNQCLSA-N -1 3 330.428 2.667 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284689084 1320476089 /nfs/dbraw/zinc/47/60/89/1320476089.db2.gz BUVFBXJKKBMJLX-LSDHHAIUSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)CCC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001285069746 1320678046 /nfs/dbraw/zinc/67/80/46/1320678046.db2.gz LBPXYEYXIKOMJI-OAHLLOKOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C1CCC(C(=O)N(C)CCN(C)C(=O)c2ccccc2[O-])CC1 ZINC001285352850 1320856731 /nfs/dbraw/zinc/85/67/31/1320856731.db2.gz RLXYNBNGDXRKKJ-UHFFFAOYSA-N -1 3 330.428 2.669 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@](C)(NC(=O)c3ccccc3[O-])C2)CCC1 ZINC001286072472 1321220297 /nfs/dbraw/zinc/22/02/97/1321220297.db2.gz GBXPPWLWJUEWCG-IBGZPJMESA-N -1 3 342.439 2.859 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286113149 1321244213 /nfs/dbraw/zinc/24/42/13/1321244213.db2.gz OWQLNLYHDDMRCG-FQEVSTJZSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)CC(=O)N(CC)[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001288604006 1321718681 /nfs/dbraw/zinc/71/86/81/1321718681.db2.gz WEAJFGKGEBUFDZ-CQSZACIVSA-N -1 3 332.444 2.961 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001290018099 1321862468 /nfs/dbraw/zinc/86/24/68/1321862468.db2.gz JEQWJWMLDNWPDO-SOUVJXGZSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001292118762 1322039038 /nfs/dbraw/zinc/03/90/38/1322039038.db2.gz PGYAUHWPOMACOI-BMFZPTHFSA-N -1 3 328.412 2.610 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccccc1[O-] ZINC001292207750 1322043443 /nfs/dbraw/zinc/04/34/43/1322043443.db2.gz IMFOZMHOIJRHGO-BMFZPTHFSA-N -1 3 328.412 2.610 10 30 EFEEHM CCCCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001294496167 1322496587 /nfs/dbraw/zinc/49/65/87/1322496587.db2.gz ISDMOBUEOBXURU-CQSZACIVSA-N -1 3 338.354 2.888 10 30 EFEEHM C=C1CCC(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C2CC2)CC1 ZINC001294863542 1322584062 /nfs/dbraw/zinc/58/40/62/1322584062.db2.gz XANJPYCBVUYXDY-QGZVFWFLSA-N -1 3 342.439 2.763 10 30 EFEEHM C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001307219280 1323046272 /nfs/dbraw/zinc/04/62/72/1323046272.db2.gz KYMKMQWOCRIOJL-LURJTMIESA-N -1 3 326.238 2.776 10 30 EFEEHM C=CCC1(C(=O)N2CC(CNC(=O)c3ccccc3[O-])C2)CCCC1 ZINC001297164381 1323107641 /nfs/dbraw/zinc/10/76/41/1323107641.db2.gz DPHBJGCIFXYTOL-UHFFFAOYSA-N -1 3 342.439 2.717 10 30 EFEEHM C=CCN(C)CCN(CC)C(=O)c1c([O-])cnc2c(F)cccc21 ZINC001297372926 1323191720 /nfs/dbraw/zinc/19/17/20/1323191720.db2.gz JAZZEEAFOZHAKG-UHFFFAOYSA-N -1 3 331.391 2.659 10 30 EFEEHM C=CC(C)(C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001297502819 1323244018 /nfs/dbraw/zinc/24/40/18/1323244018.db2.gz LEUCTOOXFCWHRK-UHFFFAOYSA-N -1 3 330.428 2.763 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(SCc2ccccc2)cc1 ZINC001298426332 1323523325 /nfs/dbraw/zinc/52/33/25/1323523325.db2.gz OYKOANHXGWNPAS-MRXNPFEDSA-N -1 3 342.420 2.699 10 30 EFEEHM C=CCC(CC=C)C(=O)N1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001492094352 1324196898 /nfs/dbraw/zinc/19/68/98/1324196898.db2.gz ZGTCISFDZYAMPX-UHFFFAOYSA-N -1 3 342.439 2.881 10 30 EFEEHM C#CC[C@@H](COC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001301823360 1324561535 /nfs/dbraw/zinc/56/15/35/1324561535.db2.gz WZLKDOIBLBUVSP-AWEZNQCLSA-N -1 3 325.364 2.953 10 30 EFEEHM O=C(C[C@@H]1NC(=O)c2ccccc21)N([O-])Cc1ccccc1Cl ZINC001306895017 1324729471 /nfs/dbraw/zinc/72/94/71/1324729471.db2.gz UVCSAGJEKPVJQH-HNNXBMFYSA-N -1 3 330.771 2.933 10 30 EFEEHM Cc1csc2ncc(C(=O)N([O-])Cc3ccccc3Cl)c(=O)n12 ZINC001306895352 1324729665 /nfs/dbraw/zinc/72/96/65/1324729665.db2.gz YWDYYZFUXCMTDR-UHFFFAOYSA-N -1 3 349.799 2.749 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@H]1CCO[C@H]1CNC(=O)OC(C)(C)C ZINC001306896705 1324729896 /nfs/dbraw/zinc/72/98/96/1324729896.db2.gz JPSDHHLXIXUTNJ-KBPBESRZSA-N -1 3 344.452 2.714 10 30 EFEEHM CCCCCCN([O-])C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001306896840 1324730288 /nfs/dbraw/zinc/73/02/88/1324730288.db2.gz OORLLXBZAAMJLB-UHFFFAOYSA-N -1 3 333.363 2.783 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309688838 1324882994 /nfs/dbraw/zinc/88/29/94/1324882994.db2.gz OXLPFWRTZBVLFW-UHFFFAOYSA-N -1 3 346.861 2.821 10 30 EFEEHM CC(C)(C)c1ccc(N=NC2CCCc3c(C#N)c(=O)[n-]cc32)nn1 ZINC001329597836 1330721827 /nfs/dbraw/zinc/72/18/27/1330721827.db2.gz QHLKQPKTWHCYOG-UHFFFAOYSA-N -1 3 336.399 2.899 10 30 EFEEHM C[C@@H]1CN(Cc2ccc(Br)cc2[O-])C[C@H](C)N1CC#N ZINC001331583796 1330856430 /nfs/dbraw/zinc/85/64/30/1330856430.db2.gz NPQKLIJNVFLDSV-TXEJJXNPSA-N -1 3 338.249 2.573 10 30 EFEEHM O=C(C1CC1)N1CCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001332494022 1330977508 /nfs/dbraw/zinc/97/75/08/1330977508.db2.gz VEDSIFCZNRYOCW-KRWDZBQOSA-N -1 3 330.428 2.628 10 30 EFEEHM C=C1CCC(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001333830063 1331222372 /nfs/dbraw/zinc/22/23/72/1331222372.db2.gz XFUCGXBDOIVIBB-KBPBESRZSA-N -1 3 330.428 2.762 10 30 EFEEHM C=C(C)C[C@@H](NCc1cccc([O-])c1Br)C(=O)OC ZINC001336759840 1331500366 /nfs/dbraw/zinc/50/03/66/1331500366.db2.gz ZKYONPRTUXPRRQ-LLVKDONJSA-N -1 3 328.206 2.752 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(CCC#N)CCC(C)C ZINC001339209465 1331817706 /nfs/dbraw/zinc/81/77/06/1331817706.db2.gz AQFMBWCUKZLFCX-UHFFFAOYSA-N -1 3 348.842 2.669 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(CCC#N)CCC(C)C ZINC001339209465 1331817710 /nfs/dbraw/zinc/81/77/10/1331817710.db2.gz AQFMBWCUKZLFCX-UHFFFAOYSA-N -1 3 348.842 2.669 10 30 EFEEHM C=CCC[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001350337895 1333066326 /nfs/dbraw/zinc/06/63/26/1333066326.db2.gz UMHFTNYWJUOKID-KRWDZBQOSA-N -1 3 339.443 2.731 10 30 EFEEHM C=CCC[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001350337895 1333066328 /nfs/dbraw/zinc/06/63/28/1333066328.db2.gz UMHFTNYWJUOKID-KRWDZBQOSA-N -1 3 339.443 2.731 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001352093441 1333383033 /nfs/dbraw/zinc/38/30/33/1333383033.db2.gz LAQQYSYDENMRBP-LBPRGKRZSA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C2CCCC2)C1 ZINC001352093441 1333383037 /nfs/dbraw/zinc/38/30/37/1333383037.db2.gz LAQQYSYDENMRBP-LBPRGKRZSA-N -1 3 347.854 2.919 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001352094431 1333383286 /nfs/dbraw/zinc/38/32/86/1333383286.db2.gz YANAMWOMMIBAMG-QWRGUYRKSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001352094431 1333383290 /nfs/dbraw/zinc/38/32/90/1333383290.db2.gz YANAMWOMMIBAMG-QWRGUYRKSA-N -1 3 333.827 2.672 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nnc(-c3cc(C)cc(C)c3)s2)nn1 ZINC001353269523 1334056562 /nfs/dbraw/zinc/05/65/62/1334056562.db2.gz HFQPAQDYMZKJSE-UHFFFAOYSA-N -1 3 340.412 2.852 10 30 EFEEHM C#C[C@H]1CCCN(c2nnc(CCc3cccc(Cl)c3[O-])n2C)C1 ZINC001355283591 1334729726 /nfs/dbraw/zinc/72/97/26/1334729726.db2.gz CRBVEWZTSPVHGQ-ZDUSSCGKSA-N -1 3 344.846 2.809 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001355977180 1334922844 /nfs/dbraw/zinc/92/28/44/1334922844.db2.gz PWCBAWSXAWNLBE-GHMZBOCLSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001355977180 1334922847 /nfs/dbraw/zinc/92/28/47/1334922847.db2.gz PWCBAWSXAWNLBE-GHMZBOCLSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)CCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001356931300 1335203910 /nfs/dbraw/zinc/20/39/10/1335203910.db2.gz PARZQLWLGXBTRH-UHFFFAOYSA-N -1 3 330.428 2.907 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001357108177 1335281627 /nfs/dbraw/zinc/28/16/27/1335281627.db2.gz DNBNQYPVHBOTCM-OAHLLOKOSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358811635 1335488876 /nfs/dbraw/zinc/48/88/76/1335488876.db2.gz JNIQBPLVGTXORN-IBGZPJMESA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358812097 1335489248 /nfs/dbraw/zinc/48/92/48/1335489248.db2.gz RBWIFUAWCHLVSL-FOIQADDNSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358812100 1335489331 /nfs/dbraw/zinc/48/93/31/1335489331.db2.gz RBWIFUAWCHLVSL-YWZLYKJASA-N -1 3 344.455 2.963 10 30 EFEEHM C=CC(C)(C)C(=O)N1CC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001358828286 1335495176 /nfs/dbraw/zinc/49/51/76/1335495176.db2.gz DNMNUVABHIIBHA-LJQANCHMSA-N -1 3 330.428 2.573 10 30 EFEEHM COc1cc(C(=O)/C=C\c2cn(C3CCC3)nn2)c(OC)cc1[O-] ZINC000849245950 1335576568 /nfs/dbraw/zinc/57/65/68/1335576568.db2.gz CYSBTUTUKIGFGN-SREVYHEPSA-N -1 3 329.356 2.622 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC000849473461 1335626256 /nfs/dbraw/zinc/62/62/56/1335626256.db2.gz KEQHAMJXJXIZJP-UHFFFAOYSA-N -1 3 331.800 2.626 10 30 EFEEHM CO[C@@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000849662281 1335684755 /nfs/dbraw/zinc/68/47/55/1335684755.db2.gz FAIWIVLKTQBRQJ-KRWDZBQOSA-N -1 3 346.427 2.957 10 30 EFEEHM CO[C@H](COC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CCCC1 ZINC000849662282 1335684964 /nfs/dbraw/zinc/68/49/64/1335684964.db2.gz FAIWIVLKTQBRQJ-QGZVFWFLSA-N -1 3 346.427 2.957 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)nn1 ZINC001360179636 1335936177 /nfs/dbraw/zinc/93/61/77/1335936177.db2.gz QHLNAMSEZQMHNL-UHFFFAOYSA-N -1 3 340.412 2.549 10 30 EFEEHM CCOC(=O)c1oc([N-]C(=O)c2ccc(C#N)o2)nc1C(F)(F)F ZINC001361528543 1336150571 /nfs/dbraw/zinc/15/05/71/1336150571.db2.gz CBKWNHZLLWTKAV-UHFFFAOYSA-N -1 3 343.217 2.587 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]CC(=O)OCc1ccccc1 ZINC001361859484 1336380398 /nfs/dbraw/zinc/38/03/98/1336380398.db2.gz YNRPKZUKNFJBMN-UHFFFAOYSA-N -1 3 344.317 2.510 10 30 EFEEHM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC001362546039 1336652006 /nfs/dbraw/zinc/65/20/06/1336652006.db2.gz QFLLRGKQAQIIDZ-SNVBAGLBSA-N -1 3 341.795 2.762 10 30 EFEEHM CC[C@@H](C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OC ZINC001362937603 1336759377 /nfs/dbraw/zinc/75/93/77/1336759377.db2.gz QUVKYLQTEFSZHQ-BXUZGUMPSA-N -1 3 338.354 2.744 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnoc1C(C)C ZINC001363589611 1336943323 /nfs/dbraw/zinc/94/33/23/1336943323.db2.gz VZOWIIKBMSTOTA-UHFFFAOYSA-N -1 3 328.372 2.958 10 30 EFEEHM C[C@H](CN(C)Cc1cc(F)ccc1C#N)NC(=O)c1ccccc1[O-] ZINC001375001972 1342302900 /nfs/dbraw/zinc/30/29/00/1342302900.db2.gz IHDMRARYECZGMH-CYBMUJFWSA-N -1 3 341.386 2.653 10 30 EFEEHM CN(CCN(C)C(=O)c1ccccc1[O-])Cc1ccc(C#N)c(F)c1 ZINC001406068762 1367174755 /nfs/dbraw/zinc/17/47/55/1367174755.db2.gz AGCHVDHGUNARAD-UHFFFAOYSA-N -1 3 341.386 2.607 10 30 EFEEHM C[C@@H](NC(=O)CCc1ccc(C#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001420211260 1376561460 /nfs/dbraw/zinc/56/14/60/1376561460.db2.gz IMURALQXUOKFTO-SECBINFHSA-N -1 3 337.305 2.505 10 30 EFEEHM N#Cc1cc(Br)cnc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001421247810 1378343292 /nfs/dbraw/zinc/34/32/92/1378343292.db2.gz PFKWEFQNKYDCMD-UHFFFAOYSA-N -1 3 346.188 2.701 10 30 EFEEHM C=CCCCC(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001454415295 1393010889 /nfs/dbraw/zinc/01/08/89/1393010889.db2.gz XJGWZJATDPWKIL-UHFFFAOYSA-N -1 3 336.193 2.924 10 30 EFEEHM C=CCCCC(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001454415295 1393010893 /nfs/dbraw/zinc/01/08/93/1393010893.db2.gz XJGWZJATDPWKIL-UHFFFAOYSA-N -1 3 336.193 2.924 10 30 EFEEHM CCCC1N=NC(=S)N1CC(=O)N([O-])CCCCc1ccccc1 ZINC001457995355 1395395512 /nfs/dbraw/zinc/39/55/12/1395395512.db2.gz RRKQYGPLZVCZFV-UHFFFAOYSA-N -1 3 348.472 2.760 10 30 EFEEHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460803603 1396258795 /nfs/dbraw/zinc/25/87/95/1396258795.db2.gz VTCZAYOGYLWOQW-UHFFFAOYSA-N -1 3 336.330 2.747 10 30 EFEEHM Cc1cc(C#N)cc(C)c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460803603 1396258799 /nfs/dbraw/zinc/25/87/99/1396258799.db2.gz VTCZAYOGYLWOQW-UHFFFAOYSA-N -1 3 336.330 2.747 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC001466354669 1396749750 /nfs/dbraw/zinc/74/97/50/1396749750.db2.gz RMCVIEKQALMJKK-HNNXBMFYSA-N -1 3 334.297 2.639 10 30 EFEEHM N#CC1(C(=O)Nc2ccc(I)cc2[O-])CCC1 ZINC001466817818 1396787354 /nfs/dbraw/zinc/78/73/54/1396787354.db2.gz SDYAGYIHANFHML-UHFFFAOYSA-N -1 3 342.136 2.629 10 30 EFEEHM C=C(C)CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001468244493 1396937323 /nfs/dbraw/zinc/93/73/23/1396937323.db2.gz HPNLHLFOBVXLBN-UHFFFAOYSA-N -1 3 335.201 2.987 10 30 EFEEHM Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(Nc2ccncc2)cc1 ZINC001469732371 1397052476 /nfs/dbraw/zinc/05/24/76/1397052476.db2.gz HTPHLGVCMNHEKQ-UHFFFAOYSA-N -1 3 345.362 2.780 10 30 EFEEHM C=C(C)c1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C)oc2C)c1 ZINC001472267710 1397254367 /nfs/dbraw/zinc/25/43/67/1397254367.db2.gz QGAIEBNBTWLCTP-UHFFFAOYSA-N -1 3 334.397 2.782 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001493483241 1398728937 /nfs/dbraw/zinc/72/89/37/1398728937.db2.gz KYPGBZGSYJDHQU-CZUORRHYSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001493641558 1398786276 /nfs/dbraw/zinc/78/62/76/1398786276.db2.gz DNULNXJKABDFRZ-HNNXBMFYSA-N -1 3 330.428 2.619 10 30 EFEEHM CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001499823514 1402797439 /nfs/dbraw/zinc/79/74/39/1402797439.db2.gz PWHOYWMHNQJLSN-SHTZXODSSA-N -1 3 342.439 2.599 10 30 EFEEHM C#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001505567674 1404787026 /nfs/dbraw/zinc/78/70/26/1404787026.db2.gz SAPFIUUFHCLFKA-RDJZCZTQSA-N -1 3 342.439 2.553 10 30 EFEEHM C#CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001505567675 1404787233 /nfs/dbraw/zinc/78/72/33/1404787233.db2.gz SAPFIUUFHCLFKA-WBVHZDCISA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509380117 1407951395 /nfs/dbraw/zinc/95/13/95/1407951395.db2.gz HDGMJXOXHJMBGN-KGLIPLIRSA-N -1 3 330.428 2.571 10 30 EFEEHM C=C1CC(C)(C(=O)NCCC[C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001509970319 1408190114 /nfs/dbraw/zinc/19/01/14/1408190114.db2.gz ZIBPRUJXVHTVQC-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C1CC(C)(C(=O)NC[C@@H](C2CC2)N(C)C(=O)c2ccccc2[O-])C1 ZINC001510325694 1412622872 /nfs/dbraw/zinc/62/28/72/1412622872.db2.gz JHAKJILLPAQESN-INIZCTEOSA-N -1 3 342.439 2.715 10 30 EFEEHM C=CCCCC(=O)N1CC[C@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001512189037 1413319523 /nfs/dbraw/zinc/31/95/23/1413319523.db2.gz NEZRRUOBGWJHLW-JKSUJKDBSA-N -1 3 344.455 2.963 10 30 EFEEHM COc1nscc1[N-]C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC001558175853 1415164727 /nfs/dbraw/zinc/16/47/27/1415164727.db2.gz JHAJBWUBJBUQEO-UHFFFAOYSA-N -1 3 328.353 2.968 10 30 EFEEHM Cc1[nH]nc(C(=O)N([O-])Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC001559036746 1415219467 /nfs/dbraw/zinc/21/94/67/1415219467.db2.gz VLVPSDYXRYYXRK-UHFFFAOYSA-N -1 3 326.312 2.811 10 30 EFEEHM Cc1n[nH]c(C(=O)N([O-])Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC001559036746 1415219473 /nfs/dbraw/zinc/21/94/73/1415219473.db2.gz VLVPSDYXRYYXRK-UHFFFAOYSA-N -1 3 326.312 2.811 10 30 EFEEHM CC(C)CN1N=C(C(=O)N([O-])CCCCc2ccccc2)CCC1=O ZINC001559034417 1415220041 /nfs/dbraw/zinc/22/00/41/1415220041.db2.gz ZCGAELSIKIRAKC-UHFFFAOYSA-N -1 3 345.443 2.862 10 30 EFEEHM C#C[C@H]([N-]S(=O)(=O)c1occc1Br)c1ccccc1 ZINC001561689658 1415322026 /nfs/dbraw/zinc/32/20/26/1415322026.db2.gz WLUWQLVSALMORC-LBPRGKRZSA-N -1 3 340.198 2.695 10 30 EFEEHM C#CCCCCCC(=O)NC[C@H](C)N(C)C(=O)c1ccccc1[O-] ZINC001571856393 1415406015 /nfs/dbraw/zinc/40/60/15/1415406015.db2.gz CDMQIRLJDVKNPN-HNNXBMFYSA-N -1 3 330.428 2.553 10 30 EFEEHM C=C(C)CCC(=O)N1CCC2(C[C@H]2NC(=O)c2ccccc2[O-])CC1 ZINC001687920657 1416899737 /nfs/dbraw/zinc/89/97/37/1416899737.db2.gz FDMYOGZHNPDSRG-QGZVFWFLSA-N -1 3 342.439 2.859 10 30 EFEEHM C#CCCN1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001688184742 1416923728 /nfs/dbraw/zinc/92/37/28/1416923728.db2.gz FYOLHADFURGNAG-IBGZPJMESA-N -1 3 334.419 2.745 10 30 EFEEHM CC#CCCCC(=O)N(C)C[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001688557765 1416987846 /nfs/dbraw/zinc/98/78/46/1416987846.db2.gz IZNJWGHRSVYDIE-MRXNPFEDSA-N -1 3 342.439 2.506 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001688802995 1417002472 /nfs/dbraw/zinc/00/24/72/1417002472.db2.gz DBFBGRIHRSXMEH-IBGZPJMESA-N -1 3 330.428 2.619 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])CC1(C)C ZINC001701347755 1417719981 /nfs/dbraw/zinc/71/99/81/1417719981.db2.gz KIPQICLPCSCITR-QGZVFWFLSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001704322213 1417906764 /nfs/dbraw/zinc/90/67/64/1417906764.db2.gz ACRMPSQDROQZSQ-GJZGRUSLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)NCCN(CCC)C(=O)c1ccccc1[O-] ZINC001704376376 1417919904 /nfs/dbraw/zinc/91/99/04/1417919904.db2.gz LMOSZDKMDSSJDG-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C#CCCCC(=O)N1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001704455178 1417945916 /nfs/dbraw/zinc/94/59/16/1417945916.db2.gz CYDYLNABEQBNOJ-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C=C(C)CN[C@H](CNC(=O)c1[nH]nc(C)c1[O-])c1ccccc1CC ZINC001716953585 1419108018 /nfs/dbraw/zinc/10/80/18/1419108018.db2.gz CKEOBAMYUDWOCY-MRXNPFEDSA-N -1 3 342.443 2.623 10 30 EFEEHM C=CCC(C)(C)C(=O)N(C)[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001718507445 1422325259 /nfs/dbraw/zinc/32/52/59/1422325259.db2.gz DLPKABNYURORLU-INIZCTEOSA-N -1 3 344.455 2.961 10 30 EFEEHM CC(C)(C)C#CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718808306 1422476640 /nfs/dbraw/zinc/47/66/40/1422476640.db2.gz KFRUQETYKYGDPY-INIZCTEOSA-N -1 3 344.455 2.702 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001719154545 1422667365 /nfs/dbraw/zinc/66/73/65/1422667365.db2.gz OURYJDTWTZROCB-IIAWOOMASA-N -1 3 330.428 2.571 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001720945760 1423320029 /nfs/dbraw/zinc/32/00/29/1423320029.db2.gz DAXFLPPIUYHLTL-GJZGRUSLSA-N -1 3 330.428 2.573 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001721177508 1423511916 /nfs/dbraw/zinc/51/19/16/1423511916.db2.gz ZLMMBVYNXCWYGA-CABCVRRESA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001721177511 1423512059 /nfs/dbraw/zinc/51/20/59/1423512059.db2.gz ZLMMBVYNXCWYGA-LSDHHAIUSA-N -1 3 330.428 2.715 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001721559807 1423819779 /nfs/dbraw/zinc/81/97/79/1423819779.db2.gz BPSWPMPJINVZHS-WKILWMFISA-N -1 3 342.439 2.743 10 30 EFEEHM C=CCCC(=O)N1CCC2(CCN(C(=O)c3ccccc3[O-])C2)CC1 ZINC001721574733 1423836999 /nfs/dbraw/zinc/83/69/99/1423836999.db2.gz QMDXKCZJJYTNTF-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)C ZINC001721657651 1423907482 /nfs/dbraw/zinc/90/74/82/1423907482.db2.gz ZWNOCKXHQFSMQT-GDBMZVCRSA-N -1 3 332.444 2.865 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001722120918 1424195408 /nfs/dbraw/zinc/19/54/08/1424195408.db2.gz SESBAFPAUNGRLC-HXUWFJFHSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001722185185 1424244169 /nfs/dbraw/zinc/24/41/69/1424244169.db2.gz YTGJKHQRRLEKMD-IBGZPJMESA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001725894102 1425946481 /nfs/dbraw/zinc/94/64/81/1425946481.db2.gz UMRHFNOUYRUJGP-KBPBESRZSA-N -1 3 330.428 2.762 10 30 EFEEHM C=CCCCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000890811442 713498323 /nfs/dbraw/zinc/49/83/23/713498323.db2.gz FJJZIEDQUONKCI-INIZCTEOSA-N -1 3 330.428 2.812 10 30 EFEEHM C=CCC(F)(F)C(=O)[N-][C@@](C)(Cc1ccc(F)cc1)C(=O)OC ZINC000893729054 720058639 /nfs/dbraw/zinc/05/86/39/720058639.db2.gz YSPYGWUWFFIHLH-HNNXBMFYSA-N -1 3 329.318 2.628 10 30 EFEEHM CC[C@H](NCc1n[nH]cc1Br)c1cccc(C#N)c1[O-] ZINC000925103924 723096572 /nfs/dbraw/zinc/09/65/72/723096572.db2.gz PVAMGSUWVBJPHU-LBPRGKRZSA-N -1 3 335.205 2.990 10 30 EFEEHM Cc1ncc(CO)c(/C=N\Cc2cccc(C(F)(F)F)n2)c1[O-] ZINC000840705200 723529337 /nfs/dbraw/zinc/52/93/37/723529337.db2.gz COOYQXCYZMYFSJ-GXHLCREISA-N -1 3 325.290 2.621 10 30 EFEEHM Cc1ncc(CO)c(/C=N/Cc2cccc(C(F)(F)F)n2)c1[O-] ZINC000840705199 723529504 /nfs/dbraw/zinc/52/95/04/723529504.db2.gz COOYQXCYZMYFSJ-FBCYGCLPSA-N -1 3 325.290 2.621 10 30 EFEEHM C#C[C@H](CCC)[N-]C(=O)C(F)(F)c1ncccc1Br ZINC000907706628 726997131 /nfs/dbraw/zinc/99/71/31/726997131.db2.gz FKJQUCMVINEDGZ-SECBINFHSA-N -1 3 331.160 2.854 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1noc2c1CCCC2 ZINC000908227036 727130885 /nfs/dbraw/zinc/13/08/85/727130885.db2.gz KZASVDXBGPZOHH-UHFFFAOYSA-N -1 3 331.322 2.833 10 30 EFEEHM COc1ccc2ccc([O-])c(CN3CCN(C4CC4)[C@@H](C#N)C3)c2c1 ZINC000732666059 727182055 /nfs/dbraw/zinc/18/20/55/727182055.db2.gz FVHDCBBGAWQEBB-INIZCTEOSA-N -1 3 337.423 2.726 10 30 EFEEHM C=CCCC[C@H](NC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)C(=O)[O-] ZINC000908860217 727277022 /nfs/dbraw/zinc/27/70/22/727277022.db2.gz YMHRXWXEGMATFF-IRXDYDNUSA-N -1 3 347.459 2.706 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]Cc1nnc(C2CC2)s1 ZINC000910547461 727449897 /nfs/dbraw/zinc/44/98/97/727449897.db2.gz RGIHBUOYLMCBER-UHFFFAOYSA-N -1 3 334.351 2.695 10 30 EFEEHM C=C(C)C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000916708869 727735111 /nfs/dbraw/zinc/73/51/11/727735111.db2.gz AYBUUFXRKIPKFL-CQSZACIVSA-N -1 3 336.338 2.664 10 30 EFEEHM COc1ccc(NC(=O)COc2ccc(C=N[O-])cc2OC)cc1 ZINC000254569112 727753112 /nfs/dbraw/zinc/75/31/12/727753112.db2.gz MFAVAKPAEKHETJ-UHFFFAOYSA-N -1 3 330.340 2.529 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]C(C)(C)Cc2ccc(C#N)cc2)s1 ZINC000921448479 729459853 /nfs/dbraw/zinc/45/98/53/729459853.db2.gz MRARDDJONMTLMA-UHFFFAOYSA-N -1 3 335.454 2.623 10 30 EFEEHM C=C(CC)CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001570327167 1086145250 /nfs/dbraw/zinc/14/52/50/1086145250.db2.gz FDNZEUJGLBRLDX-UHFFFAOYSA-N -1 3 335.201 2.987 10 30 EFEEHM C=CCCCC(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001571797944 1087132025 /nfs/dbraw/zinc/13/20/25/1087132025.db2.gz HCRHQCXPXBDVNU-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CCCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001572620539 1087567662 /nfs/dbraw/zinc/56/76/62/1087567662.db2.gz GODUOOLUONGDNF-JKSUJKDBSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCCC(=O)N1CC[C@@H](C)[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001572621166 1087568008 /nfs/dbraw/zinc/56/80/08/1087568008.db2.gz FJKJHHPTDLDCIE-HUUCEWRRSA-N -1 3 330.428 2.573 10 30 EFEEHM C#CCCCCC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001580211991 1090813640 /nfs/dbraw/zinc/81/36/40/1090813640.db2.gz XWZAAQYHRIEOOQ-INIZCTEOSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCCCC(=O)N1CCC[C@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001580266514 1090843409 /nfs/dbraw/zinc/84/34/09/1090843409.db2.gz ZGLUAJXEDPBZBZ-HNNXBMFYSA-N -1 3 330.428 2.812 10 30 EFEEHM C=C[C@H](C)[C@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001581351590 1091124297 /nfs/dbraw/zinc/12/42/97/1091124297.db2.gz PTHDZFSZQVEMSE-GJZGRUSLSA-N -1 3 332.444 2.819 10 30 EFEEHM CCN(C(=O)c1ccccc1[O-])[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001582321941 1091439114 /nfs/dbraw/zinc/43/91/14/1091439114.db2.gz IOHHXORAHSKTLE-OAHLLOKOSA-N -1 3 342.439 2.505 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001582965818 1091835066 /nfs/dbraw/zinc/83/50/66/1091835066.db2.gz BMOQNOSYVMTFQN-ZFWWWQNUSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001582978752 1091855902 /nfs/dbraw/zinc/85/59/02/1091855902.db2.gz OKDMNCXPNAYARO-HIFRSBDPSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001582978751 1091856599 /nfs/dbraw/zinc/85/65/99/1091856599.db2.gz OKDMNCXPNAYARO-DZGCQCFKSA-N -1 3 330.428 2.619 10 30 EFEEHM C=CCCC1(C(=O)N2CC[C@@](C)(NC(=O)c3ccccc3[O-])C2)CC1 ZINC001585796084 1092574076 /nfs/dbraw/zinc/57/40/76/1092574076.db2.gz KKINCGZQTGOKLX-LJQANCHMSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001585796199 1092575601 /nfs/dbraw/zinc/57/56/01/1092575601.db2.gz MNWMUMGRQJWWKY-AUUYWEPGSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@@H](CC)CC(=O)N1CC[C@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001585796202 1092576481 /nfs/dbraw/zinc/57/64/81/1092576481.db2.gz MNWMUMGRQJWWKY-LIRRHRJNSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001585994880 1092646684 /nfs/dbraw/zinc/64/66/84/1092646684.db2.gz CBFICJZVPAJHMS-FQEVSTJZSA-N -1 3 344.455 2.963 10 30 EFEEHM O=C(c1ccn(-c2ccncc2)n1)N([O-])Cc1ccccc1Cl ZINC001651223917 1093541308 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EFEEHM CC1(C)C(C(=O)N([O-])CCCN2C(=O)c3ccccc3C2=O)C1(C)C ZINC001611649041 1099027174 /nfs/dbraw/zinc/02/71/74/1099027174.db2.gz STHMYQILDXSQAG-UHFFFAOYSA-N -1 3 344.411 2.573 10 30 EFEEHM O=C(c1cn(CCc2ccccc2)nn1)N([O-])Cc1ccc(F)cc1 ZINC001611667090 1099027830 /nfs/dbraw/zinc/02/78/30/1099027830.db2.gz NRRIAZXYCASPCM-UHFFFAOYSA-N -1 3 340.358 2.692 10 30 EFEEHM N#Cc1cccc(Oc2ccnc(N3CC[C@H](c4cc(=O)[nH][n-]4)C3)n2)c1 ZINC001612561053 1099066861 /nfs/dbraw/zinc/06/68/61/1099066861.db2.gz KGTGKSAVNFSQGB-ZDUSSCGKSA-N -1 3 348.366 2.563 10 30 EFEEHM C=CCCn1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)nn1 ZINC001618479164 1099300894 /nfs/dbraw/zinc/30/08/94/1099300894.db2.gz MVRFVCQUKWNYIC-SREVYHEPSA-N -1 3 342.384 2.721 10 30 EFEEHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccsc3C#N)nc21 ZINC001618773250 1099315775 /nfs/dbraw/zinc/31/57/75/1099315775.db2.gz NXOFYIFWQYGXBB-UHFFFAOYSA-N -1 3 340.364 2.925 10 30 EFEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC001622346881 1099502909 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C=CCN(C)CCN(CC)C(=O)c1ccc(Br)cc1[O-] ZINC001635757993 1100677730 /nfs/dbraw/zinc/67/77/30/1100677730.db2.gz TZEABDLZCJSWKX-UHFFFAOYSA-N -1 3 341.249 2.735 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC001636353221 1100714964 /nfs/dbraw/zinc/71/49/64/1100714964.db2.gz UJJJVHCGQIKYRT-UELRPHRMSA-N -1 3 346.383 2.534 10 30 EFEEHM C=C(CC)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC001638020577 1100826196 /nfs/dbraw/zinc/82/61/96/1100826196.db2.gz QKSULHBAHIYIKS-UHFFFAOYSA-N -1 3 329.356 2.637 10 30 EFEEHM C#CCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001638415506 1100857293 /nfs/dbraw/zinc/85/72/93/1100857293.db2.gz IAVHQWQSMKOSFW-UHFFFAOYSA-N -1 3 329.137 2.739 10 30 EFEEHM CCCCCCN([O-])C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001639067218 1100909469 /nfs/dbraw/zinc/90/94/69/1100909469.db2.gz PCWJICWZBLZKAJ-KRWDZBQOSA-N -1 3 344.452 2.811 10 30 EFEEHM CCc1[nH]nc(C(=O)N([O-])Cc2ccc(F)cc2)c1Br ZINC001639078754 1100911225 /nfs/dbraw/zinc/91/12/25/1100911225.db2.gz SHBRKLDHXGSDJU-UHFFFAOYSA-N -1 3 342.168 2.905 10 30 EFEEHM O=C(c1ccc(Cn2ccccc2=O)o1)N([O-])Cc1ccc(F)cc1 ZINC001639078675 1100911572 /nfs/dbraw/zinc/91/15/72/1100911572.db2.gz PHOBNXDQTOPCPW-UHFFFAOYSA-N -1 3 342.326 2.660 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC001640208616 1101023212 /nfs/dbraw/zinc/02/32/12/1101023212.db2.gz RIMMIRDAQCHIHR-HSZRJFAPSA-N -1 3 326.381 2.811 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cccc2[n-]nnc21)c1ccccc1 ZINC001640208616 1101023214 /nfs/dbraw/zinc/02/32/14/1101023214.db2.gz RIMMIRDAQCHIHR-HSZRJFAPSA-N -1 3 326.381 2.811 10 30 EFEEHM C=CC[S@](=O)(=NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001640208616 1101023223 /nfs/dbraw/zinc/02/32/23/1101023223.db2.gz RIMMIRDAQCHIHR-HSZRJFAPSA-N -1 3 326.381 2.811 10 30 EFEEHM CCCCCCCC[C@@H](CO)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001640431085 1101046070 /nfs/dbraw/zinc/04/60/70/1101046070.db2.gz YZRCSRZBRQMFTQ-ZDUSSCGKSA-N -1 3 336.411 2.938 10 30 EFEEHM C#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1F 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346.383 2.990 10 30 EFEEHM COc1cc(COCC(=O)N([O-])CCCCc2ccccc2)ccn1 ZINC001654817929 1101758569 /nfs/dbraw/zinc/75/85/69/1101758569.db2.gz VPFGIGOXZUJVPC-UHFFFAOYSA-N -1 3 344.411 2.848 10 30 EFEEHM CCCCCCN([O-])C(=O)CCN1c2ccccc2O[C@@H](C)C1=O ZINC001654819821 1101758751 /nfs/dbraw/zinc/75/87/51/1101758751.db2.gz SGBWDDAZEZRFPW-AWEZNQCLSA-N -1 3 334.416 2.989 10 30 EFEEHM CC(C)(C)N1C[C@@H](C(=O)N([O-])CCCCc2ccccc2)CC1=O ZINC001654817771 1101758889 /nfs/dbraw/zinc/75/88/89/1101758889.db2.gz SMZMIOXNQYFMKY-INIZCTEOSA-N -1 3 332.444 2.874 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001654819668 1101759440 /nfs/dbraw/zinc/75/94/40/1101759440.db2.gz LXQRBFOPXXGSKP-UHFFFAOYSA-N -1 3 347.375 2.896 10 30 EFEEHM O=C(c1ccnc(OCC(F)F)c1)N([O-])Cc1ccc(F)cc1 ZINC001654829077 1101760985 /nfs/dbraw/zinc/76/09/85/1101760985.db2.gz RQLKWFVGAMYHBP-UHFFFAOYSA-N -1 3 326.274 2.896 10 30 EFEEHM C[C@@H]1CN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC[C@@H]1c1ccccc1 ZINC001657416148 1102381485 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C=C(C)CS(=O)(=O)[N-][C@@H](C(=O)OC(C)(C)C)c1cccc(C)c1 ZINC001671911447 1105728935 /nfs/dbraw/zinc/72/89/35/1105728935.db2.gz NVOXPJXBBQSJMD-OAHLLOKOSA-N -1 3 339.457 2.873 10 30 EFEEHM CCCCCCCN1CCOC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001673026859 1105961216 /nfs/dbraw/zinc/96/12/16/1105961216.db2.gz IFMADLWOTLZOQY-INIZCTEOSA-N -1 3 334.460 2.793 10 30 EFEEHM C=CCC1(C(=O)N[C@@H]2CCN(c3nc(C(C)C)cc(=O)[n-]3)C2)CCC1 ZINC000888232753 1106330063 /nfs/dbraw/zinc/33/00/63/1106330063.db2.gz DRICTERXOSYILB-CQSZACIVSA-N -1 3 344.459 2.747 10 30 EFEEHM C=CCC(CC=C)C(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001677794241 1106888631 /nfs/dbraw/zinc/88/86/31/1106888631.db2.gz QSEIEKWGZIMUOK-UHFFFAOYSA-N -1 3 342.439 2.785 10 30 EFEEHM C#CCCCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001678772189 1107283996 /nfs/dbraw/zinc/28/39/96/1107283996.db2.gz RILSUKFNVABQIH-QGZVFWFLSA-N -1 3 342.439 2.553 10 30 EFEEHM CCOC(=O)N1CCC(C(=O)N([O-])Cc2ccccc2Cl)CC1 ZINC000904186801 1107679621 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CC(C)(C(=O)N([O-])CCCCc1ccccc1)S(=O)(=O)C1CC1 ZINC000904198288 1107710278 /nfs/dbraw/zinc/71/02/78/1107710278.db2.gz YXVHSXWOPDNCFF-UHFFFAOYSA-N -1 3 339.457 2.583 10 30 EFEEHM NC(=O)c1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC000904198198 1107711007 /nfs/dbraw/zinc/71/10/07/1107711007.db2.gz WKWKDLMCFQWGRT-UHFFFAOYSA-N -1 3 326.396 2.569 10 30 EFEEHM Cc1nc(C)c(CC(=O)N(O)CCCCc2ccccc2)c(=O)[n-]1 ZINC000904200896 1107714352 /nfs/dbraw/zinc/71/43/52/1107714352.db2.gz IARGNZAGALLBQQ-UHFFFAOYSA-N -1 3 329.400 2.582 10 30 EFEEHM Cc1sc(=O)n(CC(=O)N([O-])CCCCc2ccccc2)c1C ZINC000904201664 1107714408 /nfs/dbraw/zinc/71/44/08/1107714408.db2.gz YBJJYBRLELAYOU-UHFFFAOYSA-N -1 3 334.441 2.767 10 30 EFEEHM CCCCCCN([O-])C(=O)Cn1nc(-c2ccccc2)ccc1=O ZINC000904205952 1107720134 /nfs/dbraw/zinc/72/01/34/1107720134.db2.gz XKAGKKXKOBKQMJ-UHFFFAOYSA-N -1 3 329.400 2.708 10 30 EFEEHM C=C(C)CCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001680636371 1107993459 /nfs/dbraw/zinc/99/34/59/1107993459.db2.gz UYXOLWYXVBEBEC-GDBMZVCRSA-N -1 3 330.428 2.858 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001680676233 1108012498 /nfs/dbraw/zinc/01/24/98/1108012498.db2.gz AZTXWHSOHOYNAL-DOTOQJQBSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001681171865 1108154065 /nfs/dbraw/zinc/15/40/65/1108154065.db2.gz JXUJBYLYDXHCSN-MHVYXZCWSA-N -1 3 330.428 2.714 10 30 EFEEHM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1c([O-])cccc1O ZINC000899095665 1109199017 /nfs/dbraw/zinc/19/90/17/1109199017.db2.gz KRGWXBCSNYWTTL-UHFFFAOYSA-N -1 3 335.175 2.661 10 30 EFEEHM O=C([N-]CC(F)(C(F)(F)F)C(F)(F)F)C(=O)c1ccc(F)cc1 ZINC000899097269 1109199519 /nfs/dbraw/zinc/19/95/19/1109199519.db2.gz RJTBGDQIOLEKBR-UHFFFAOYSA-N -1 3 349.177 2.958 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000899418811 1109314233 /nfs/dbraw/zinc/31/42/33/1109314233.db2.gz VAZULOAMHVMKPV-SUZRMVIJSA-N -1 3 327.428 2.617 10 30 EFEEHM C=CCC1(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CCCCC1 ZINC000899496739 1109355539 /nfs/dbraw/zinc/35/55/39/1109355539.db2.gz XAZMDTHPUQLAOQ-UHFFFAOYSA-N -1 3 344.459 2.666 10 30 EFEEHM Cc1cc(C(=O)/C=C/c2cnc(N3CCOCC3)s2)ccc1[O-] ZINC000263998299 240395123 /nfs/dbraw/zinc/39/51/23/240395123.db2.gz KAODHVBDYMJSOZ-HWKANZROSA-N -1 3 330.409 2.890 10 30 EFEEHM C=CCC[C@@H](C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccccc1 ZINC000298830859 241160747 /nfs/dbraw/zinc/16/07/47/241160747.db2.gz CJWDGZLAVOUPRY-HZPDHXFCSA-N -1 3 340.427 2.554 10 30 EFEEHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1coc(C2CCCC2)n1 ZINC000328707753 241224632 /nfs/dbraw/zinc/22/46/32/241224632.db2.gz AWCYZDUAEVEOLG-UHFFFAOYSA-N -1 3 329.282 2.974 10 30 EFEEHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1coc(C2CCCC2)n1 ZINC000328707753 241224639 /nfs/dbraw/zinc/22/46/39/241224639.db2.gz AWCYZDUAEVEOLG-UHFFFAOYSA-N -1 3 329.282 2.974 10 30 EFEEHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1coc(C2CCCC2)n1 ZINC000328707753 241224643 /nfs/dbraw/zinc/22/46/43/241224643.db2.gz AWCYZDUAEVEOLG-UHFFFAOYSA-N -1 3 329.282 2.974 10 30 EFEEHM Cc1cc(C(C#N)=C([O-])c2ccnc(N3CC[C@@H](C)C3)c2)nc(C)n1 ZINC000357782495 242106736 /nfs/dbraw/zinc/10/67/36/242106736.db2.gz CABIFCUUVABEGP-WBMJQRKESA-N -1 3 335.411 2.825 10 30 EFEEHM N#CC(=C([O-])c1cccc(-n2cnnn2)c1)c1nccc2ccccc21 ZINC000361530626 242225173 /nfs/dbraw/zinc/22/51/73/242225173.db2.gz ZNXMOITWNYRUPN-QGZVFWFLSA-N -1 3 340.346 2.701 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)CC1 ZINC000361563098 242228572 /nfs/dbraw/zinc/22/85/72/242228572.db2.gz KUDSMZDUIBFOSY-JTQLQIEISA-N -1 3 347.223 2.650 10 30 EFEEHM CCc1cc(=O)[n-]c(-c2ccc(NCC3CCC(C#N)CC3)nc2)n1 ZINC000366899293 242368431 /nfs/dbraw/zinc/36/84/31/242368431.db2.gz CGVGTKXRTFAGJH-UHFFFAOYSA-N -1 3 337.427 2.970 10 30 EFEEHM Cn1cc([C@@H]([N-]C(=O)c2c(F)cc(C#N)cc2F)C(F)(F)F)cn1 ZINC000241961289 243007688 /nfs/dbraw/zinc/00/76/88/243007688.db2.gz URCPEOFOXFUTFU-GFCCVEGCSA-N -1 3 344.243 2.603 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC000425227108 247007357 /nfs/dbraw/zinc/00/73/57/247007357.db2.gz AFEMCAHJHUMOHF-JGPRNRPPSA-N -1 3 330.331 2.654 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)cc1C#N ZINC000431646163 247926135 /nfs/dbraw/zinc/92/61/35/247926135.db2.gz UVBIKVGHTCGJTM-AWEZNQCLSA-N -1 3 337.351 2.546 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(F)cc1F ZINC000435434342 248239946 /nfs/dbraw/zinc/23/99/46/248239946.db2.gz RVCNSILKJXAPMK-SECBINFHSA-N -1 3 342.392 2.980 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc3ccccc3n2)s1 ZINC000435431985 248240963 /nfs/dbraw/zinc/24/09/63/248240963.db2.gz LFQXKCAGJLQORG-UHFFFAOYSA-N -1 3 343.433 2.689 10 30 EFEEHM Cc1sc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)cc1[N+](=O)[O-] ZINC000443226579 250172718 /nfs/dbraw/zinc/17/27/18/250172718.db2.gz NTHDPJISBMPQCH-UHFFFAOYSA-N -1 3 343.430 2.573 10 30 EFEEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000443071154 250156828 /nfs/dbraw/zinc/15/68/28/250156828.db2.gz MURIGFSHFDCDHE-MRXNPFEDSA-N -1 3 342.420 2.896 10 30 EFEEHM COC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 ZINC000443356405 250188413 /nfs/dbraw/zinc/18/84/13/250188413.db2.gz DBYYJEYPHHBDAU-UHFFFAOYSA-N -1 3 342.848 2.695 10 30 EFEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443240395 250176660 /nfs/dbraw/zinc/17/66/60/250176660.db2.gz FEFUBQGSCDGIHH-OAHLLOKOSA-N -1 3 344.864 2.677 10 30 EFEEHM O=C(N[O-])c1cc(CSc2cccc(Br)c2)on1 ZINC000009132948 211043133 /nfs/dbraw/zinc/04/31/33/211043133.db2.gz ISUKKPOOMNPCBV-UHFFFAOYSA-N -1 3 329.175 2.848 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc3cc[nH]c3n2)c(Cl)c1 ZINC000352546941 142508030 /nfs/dbraw/zinc/50/80/30/142508030.db2.gz BPTUDKISVSCQOC-UHFFFAOYSA-N -1 3 346.799 2.566 10 30 EFEEHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(F)(F)F ZINC000346878430 145740858 /nfs/dbraw/zinc/74/08/58/145740858.db2.gz AGFURUOBJFVYQO-GFCCVEGCSA-N -1 3 329.322 2.665 10 30 EFEEHM Cc1cccnc1-c1noc(CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC000355843149 147079929 /nfs/dbraw/zinc/07/99/29/147079929.db2.gz OJRHDCWUPYHQCB-UHFFFAOYSA-N -1 3 335.367 2.814 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](c3ccccc3)O2)s1 ZINC000368244469 150075865 /nfs/dbraw/zinc/07/58/65/150075865.db2.gz WEKHQCKNFIHRKY-HIFRSBDPSA-N -1 3 348.449 2.818 10 30 EFEEHM Cc1cc(C#N)nc(Sc2nnc([N-]CC(F)(F)F)s2)n1 ZINC000286201193 267318266 /nfs/dbraw/zinc/31/82/66/267318266.db2.gz KIDBMCPBDQFSEZ-UHFFFAOYSA-N -1 3 332.336 2.634 10 30 EFEEHM Cc1nsc([N-]C(=O)Nc2ccn(CC(F)(F)F)n2)c1C#N ZINC000297488048 267707753 /nfs/dbraw/zinc/70/77/53/267707753.db2.gz SYQSRJZPZCRPOK-UHFFFAOYSA-N -1 3 330.295 2.726 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccn2)C2CCC2)s1 ZINC000528499978 268257984 /nfs/dbraw/zinc/25/79/84/268257984.db2.gz DIIZPHJCSCWOEJ-OAHLLOKOSA-N -1 3 333.438 2.834 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c(F)c1 ZINC000523571512 268260126 /nfs/dbraw/zinc/26/01/26/268260126.db2.gz XGNYQMWMLKIXRC-HNNXBMFYSA-N -1 3 330.384 2.533 10 30 EFEEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)CO2 ZINC000152536263 293338388 /nfs/dbraw/zinc/33/83/88/293338388.db2.gz WMCDRXQZUFGTQI-HNNXBMFYSA-N -1 3 348.811 2.932 10 30 EFEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ncc(C#N)cc3C)cc2)n1 ZINC000555477807 318357782 /nfs/dbraw/zinc/35/77/82/318357782.db2.gz NJKKXHCQLWXXNF-UHFFFAOYSA-N -1 3 345.362 2.573 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c(F)c1 ZINC000565826010 319006248 /nfs/dbraw/zinc/00/62/48/319006248.db2.gz OBOMVKDAEYVCIB-GFCCVEGCSA-N -1 3 340.445 2.509 10 30 EFEEHM COC[C@@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000162026073 473295679 /nfs/dbraw/zinc/29/56/79/473295679.db2.gz GTBLEYPNTPXMBY-QGZVFWFLSA-N -1 3 348.399 2.504 10 30 EFEEHM C=CCNc1ncc(C(=O)[N-]c2nnc(CCC(C)C)s2)s1 ZINC000622134609 479920542 /nfs/dbraw/zinc/92/05/42/479920542.db2.gz ITTDQKMZWNCVEG-UHFFFAOYSA-N -1 3 337.474 2.855 10 30 EFEEHM C[C@]1(C(=O)NC(=S)[N-]c2ccccc2C#N)CC1(Cl)Cl ZINC000003258901 471438174 /nfs/dbraw/zinc/43/81/74/471438174.db2.gz RZXIPUDWKDPPBQ-GFCCVEGCSA-N -1 3 328.224 2.955 10 30 EFEEHM C[C@@]1(C(=O)NC(=S)[N-]c2ccccc2C#N)CC1(Cl)Cl ZINC000003258899 471438439 /nfs/dbraw/zinc/43/84/39/471438439.db2.gz RZXIPUDWKDPPBQ-LBPRGKRZSA-N -1 3 328.224 2.955 10 30 EFEEHM CC(=[NH+][N-]c1nnc(SCc2ccncc2)[n-]1)c1ccc(N)cc1 ZINC000007504232 471618668 /nfs/dbraw/zinc/61/86/68/471618668.db2.gz GRUIQNJJYUANRS-RGVLZGJSSA-N -1 3 339.428 2.910 10 30 EFEEHM COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053525981 472016804 /nfs/dbraw/zinc/01/68/04/472016804.db2.gz OVUIAYGFLHHVTM-NSHDSACASA-N -1 3 339.355 2.931 10 30 EFEEHM COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053525981 472016808 /nfs/dbraw/zinc/01/68/08/472016808.db2.gz OVUIAYGFLHHVTM-NSHDSACASA-N -1 3 339.355 2.931 10 30 EFEEHM COc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053525981 472016812 /nfs/dbraw/zinc/01/68/12/472016812.db2.gz OVUIAYGFLHHVTM-NSHDSACASA-N -1 3 339.355 2.931 10 30 EFEEHM CC1(C(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCCC1 ZINC000625546569 479963379 /nfs/dbraw/zinc/96/33/79/479963379.db2.gz HEIYHNCYTJSZAJ-UHFFFAOYSA-N -1 3 340.832 2.639 10 30 EFEEHM Cc1cccc(-c2nnc(NC(=O)c3cccc(C#N)c3)[n-]2)c1[N+](=O)[O-] ZINC000069738710 472413317 /nfs/dbraw/zinc/41/33/17/472413317.db2.gz WRGICJQAVVAEEY-UHFFFAOYSA-N -1 3 348.322 2.812 10 30 EFEEHM Cc1cccc(-c2nc(NC(=O)c3cccc(C#N)c3)n[n-]2)c1[N+](=O)[O-] ZINC000069738710 472413323 /nfs/dbraw/zinc/41/33/23/472413323.db2.gz WRGICJQAVVAEEY-UHFFFAOYSA-N -1 3 348.322 2.812 10 30 EFEEHM C=CCN1C(=O)c2ccc(C(=O)Nc3cccc([O-])c3F)cc2C1=O ZINC000128263632 472426537 /nfs/dbraw/zinc/42/65/37/472426537.db2.gz PAIVXNCJKRJTOK-UHFFFAOYSA-N -1 3 340.310 2.566 10 30 EFEEHM O=S(=O)(c1ccc(/N=C/c2ccc([O-])cc2O)cc1)N1CCCC1 ZINC000100040679 472524553 /nfs/dbraw/zinc/52/45/53/472524553.db2.gz XRUFCMCFDJFCDI-LDADJPATSA-N -1 3 346.408 2.633 10 30 EFEEHM O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2[O-])cc1)N1CCCC1 ZINC000100040679 472524559 /nfs/dbraw/zinc/52/45/59/472524559.db2.gz XRUFCMCFDJFCDI-LDADJPATSA-N -1 3 346.408 2.633 10 30 EFEEHM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000121090600 472796322 /nfs/dbraw/zinc/79/63/22/472796322.db2.gz RDKTZERDNVEZQI-HNNXBMFYSA-N -1 3 344.864 2.677 10 30 EFEEHM CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000121090791 472797295 /nfs/dbraw/zinc/79/72/95/472797295.db2.gz RDKTZERDNVEZQI-OAHLLOKOSA-N -1 3 344.864 2.677 10 30 EFEEHM COc1ccccc1-c1nc(NC(=O)CCNC(=O)C(C)(C)C)n[n-]1 ZINC000064490141 472859183 /nfs/dbraw/zinc/85/91/83/472859183.db2.gz KKXAKETYZFZQOX-UHFFFAOYSA-N -1 3 345.403 2.621 10 30 EFEEHM N#Cc1cc2c(nc1[N-]C(=O)c1ncn(-c3ccccc3)n1)CCCC2 ZINC000122168171 472983542 /nfs/dbraw/zinc/98/35/42/472983542.db2.gz MTMIWKUNRGERQP-UHFFFAOYSA-N -1 3 344.378 2.665 10 30 EFEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000151145843 473415390 /nfs/dbraw/zinc/41/53/90/473415390.db2.gz KBFIAEHUJUCEIM-VIFPVBQESA-N -1 3 325.390 2.502 10 30 EFEEHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1nccs1 ZINC000151489947 473464125 /nfs/dbraw/zinc/46/41/25/473464125.db2.gz FZBWRUQXULGQRL-AWEZNQCLSA-N -1 3 339.417 2.758 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(C2CC2)cc1 ZINC000191181602 473498921 /nfs/dbraw/zinc/49/89/21/473498921.db2.gz TZUQDWDRNRFFOG-UHFFFAOYSA-N -1 3 349.434 2.990 10 30 EFEEHM C=CC[C@H](CO)NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000185920978 473548122 /nfs/dbraw/zinc/54/81/22/473548122.db2.gz SOEDGGSDDBJKRZ-OAHLLOKOSA-N -1 3 327.380 2.638 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CC2)c2ccccc21 ZINC000172432631 473608834 /nfs/dbraw/zinc/60/88/34/473608834.db2.gz SCZAROJGGOQERT-UHFFFAOYSA-N -1 3 347.418 2.874 10 30 EFEEHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186651127 473713933 /nfs/dbraw/zinc/71/39/33/473713933.db2.gz NKNPFIDVEYVUMV-VIFPVBQESA-N -1 3 343.754 2.574 10 30 EFEEHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000186667960 473721072 /nfs/dbraw/zinc/72/10/72/473721072.db2.gz HSXZPIQJQREBJL-SECBINFHSA-N -1 3 343.754 2.574 10 30 EFEEHM C=CCCC(C)(C)CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000633963933 480075128 /nfs/dbraw/zinc/07/51/28/480075128.db2.gz XSAHBMDEFRNVRE-GFCCVEGCSA-N -1 3 344.502 2.524 10 30 EFEEHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000288661461 474013825 /nfs/dbraw/zinc/01/38/25/474013825.db2.gz VGYFFYAKPLSCFD-LBPRGKRZSA-N -1 3 335.351 2.707 10 30 EFEEHM N#CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000282400459 474052056 /nfs/dbraw/zinc/05/20/56/474052056.db2.gz YXPBIIVAUNPRSS-UHFFFAOYSA-N -1 3 337.626 2.685 10 30 EFEEHM C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000182645713 474226014 /nfs/dbraw/zinc/22/60/14/474226014.db2.gz ILKFFWDAYQLEIY-ZBFHGGJFSA-N -1 3 330.428 2.858 10 30 EFEEHM CCc1ccc([O-])c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000184275002 474493836 /nfs/dbraw/zinc/49/38/36/474493836.db2.gz YJGDQFTTXSUEBN-UHFFFAOYSA-N -1 3 333.351 2.659 10 30 EFEEHM Cc1sc2nc(C)n(N=Cc3ccc(O)cc3[O-])c(=O)c2c1C ZINC000252615827 474701579 /nfs/dbraw/zinc/70/15/79/474701579.db2.gz JVNCUAIMNOGJNV-UHFFFAOYSA-N -1 3 329.381 2.677 10 30 EFEEHM CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000292932437 474720640 /nfs/dbraw/zinc/72/06/40/474720640.db2.gz ZDWUADZDQHLKEA-UHFFFAOYSA-N -1 3 339.804 2.549 10 30 EFEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(C[C@@H](C)C#N)C1CC1)c2=O ZINC000339010877 474832001 /nfs/dbraw/zinc/83/20/01/474832001.db2.gz DXGIFAKZFTXMKE-JTQLQIEISA-N -1 3 327.359 2.740 10 30 EFEEHM CC(C)(C)C1CC([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)C1 ZINC000339022589 474845789 /nfs/dbraw/zinc/84/57/89/474845789.db2.gz OVDFXAYHRCXICD-UHFFFAOYSA-N -1 3 337.401 2.569 10 30 EFEEHM C=CCC(F)(F)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000293783675 475051565 /nfs/dbraw/zinc/05/15/65/475051565.db2.gz LYDIGVPTANMMHP-UHFFFAOYSA-N -1 3 348.371 2.607 10 30 EFEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1 ZINC000613903720 480143523 /nfs/dbraw/zinc/14/35/23/480143523.db2.gz KOKPZZXLDSFLTR-UHFFFAOYSA-N -1 3 331.180 2.937 10 30 EFEEHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295722138 475132610 /nfs/dbraw/zinc/13/26/10/475132610.db2.gz LTWOHQMVNAEZGU-QWRGUYRKSA-N -1 3 328.821 2.709 10 30 EFEEHM C=CCC(F)(F)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000292749666 475181065 /nfs/dbraw/zinc/18/10/65/475181065.db2.gz KGHHQIWFILITEK-UHFFFAOYSA-N -1 3 338.354 2.781 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1C(F)F ZINC000330418873 475240530 /nfs/dbraw/zinc/24/05/30/475240530.db2.gz WVCSUUSSTGGVBG-AWEZNQCLSA-N -1 3 337.370 2.855 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1nccs1 ZINC000331048096 475305155 /nfs/dbraw/zinc/30/51/55/475305155.db2.gz GREVTQKTWDCVKZ-GFCCVEGCSA-N -1 3 327.475 2.988 10 30 EFEEHM C[C@](O)(CNC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(F)(F)F ZINC000331232200 475324783 /nfs/dbraw/zinc/32/47/83/475324783.db2.gz IZZWNAVANGMCTB-AWEZNQCLSA-N -1 3 333.306 2.724 10 30 EFEEHM N#Cc1cccc(OCCCCC(=O)NCc2ncccc2[O-])c1 ZINC000352514642 475369915 /nfs/dbraw/zinc/36/99/15/475369915.db2.gz BZOVOASIMLZDLA-UHFFFAOYSA-N -1 3 325.368 2.524 10 30 EFEEHM CSc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cnn1C ZINC000361480643 475484464 /nfs/dbraw/zinc/48/44/64/475484464.db2.gz DIQFJDXJVCBZTL-SNVBAGLBSA-N -1 3 325.397 2.817 10 30 EFEEHM C=CCSCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000346088884 475558132 /nfs/dbraw/zinc/55/81/32/475558132.db2.gz VDQQQDAQJXCTBW-UHFFFAOYSA-N -1 3 330.247 2.733 10 30 EFEEHM C=CCN(CC=C)[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])C(C)C ZINC000352858464 475657519 /nfs/dbraw/zinc/65/75/19/475657519.db2.gz CXZKAQCHPNCJMI-QGZVFWFLSA-N -1 3 347.415 2.729 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)CCCC1 ZINC000352868948 475658653 /nfs/dbraw/zinc/65/86/53/475658653.db2.gz FIVFAXGORYOORD-UHFFFAOYSA-N -1 3 339.486 2.916 10 30 EFEEHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1cccc(F)c1 ZINC000352881405 475660982 /nfs/dbraw/zinc/66/09/82/475660982.db2.gz JILZIUBCRYUHIG-CYBMUJFWSA-N -1 3 340.420 2.596 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)CC3(C#N)CCCC3)CCC2)n1 ZINC000352879717 475661646 /nfs/dbraw/zinc/66/16/46/475661646.db2.gz GJGUYXQRYHQPAD-UHFFFAOYSA-N -1 3 339.486 2.834 10 30 EFEEHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1ccc(F)cc1 ZINC000352906410 475664490 /nfs/dbraw/zinc/66/44/90/475664490.db2.gz VUWIBTDLXRKFJR-OAHLLOKOSA-N -1 3 340.420 2.517 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H]2CCCO2)CCCC1 ZINC000352950668 475671595 /nfs/dbraw/zinc/67/15/95/475671595.db2.gz UISPGZDTMHXRNL-IRXDYDNUSA-N -1 3 348.468 2.910 10 30 EFEEHM C=CCOc1cc(OC)ccc1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000352985170 475675369 /nfs/dbraw/zinc/67/53/69/475675369.db2.gz MAVSQKIUMNTIBR-OAHLLOKOSA-N -1 3 343.383 2.509 10 30 EFEEHM COc1cc(NC(=O)[N-]c2snc(C)c2C#N)cc(OC)c1OC ZINC000297382092 475733916 /nfs/dbraw/zinc/73/39/16/475733916.db2.gz INEYOTWRASBDAA-UHFFFAOYSA-N -1 3 348.384 2.993 10 30 EFEEHM COC(=O)c1cccc2nc(NC(=O)c3cscc3C#N)[n-]c21 ZINC000343236774 475876310 /nfs/dbraw/zinc/87/63/10/475876310.db2.gz OPBCRRQRSQCEKQ-UHFFFAOYSA-N -1 3 326.337 2.535 10 30 EFEEHM COC(=O)c1cccc2[n-]c(NC(=O)c3cscc3C#N)nc21 ZINC000343236774 475876321 /nfs/dbraw/zinc/87/63/21/475876321.db2.gz OPBCRRQRSQCEKQ-UHFFFAOYSA-N -1 3 326.337 2.535 10 30 EFEEHM CC[C@](C)([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc(C)cs1 ZINC000349638631 475979822 /nfs/dbraw/zinc/97/98/22/475979822.db2.gz POJHIJWIJZHDGO-ZDUSSCGKSA-N -1 3 327.475 2.690 10 30 EFEEHM C[C@@H](CC#N)N(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000347030603 476047537 /nfs/dbraw/zinc/04/75/37/476047537.db2.gz NGGMLSQEXPPOLZ-VIFPVBQESA-N -1 3 348.200 2.665 10 30 EFEEHM COc1ccc2c([O-])c(C(=O)Nc3ccc(F)c(C#N)c3)cnc2c1 ZINC000359040807 476137874 /nfs/dbraw/zinc/13/78/74/476137874.db2.gz PVXTXNLUTJDHAF-UHFFFAOYSA-N -1 3 337.310 2.800 10 30 EFEEHM CC#CCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304254159 476272852 /nfs/dbraw/zinc/27/28/52/476272852.db2.gz HUWAHVOYAPTHRI-UHFFFAOYSA-N -1 3 336.638 2.794 10 30 EFEEHM COC(=O)c1cc([N-]C(=O)c2sccc2C#N)c(C)c([N+](=O)[O-])c1 ZINC000362624131 476331591 /nfs/dbraw/zinc/33/15/91/476331591.db2.gz RFSSDFSYCXFTKV-UHFFFAOYSA-N -1 3 345.336 2.875 10 30 EFEEHM Cc1csc([C@@H]([N-]S(=O)(=O)CC2(C#N)CCC2)C2CC2)n1 ZINC000354114259 476436725 /nfs/dbraw/zinc/43/67/25/476436725.db2.gz FKZNSLBOVJSOHX-LBPRGKRZSA-N -1 3 325.459 2.516 10 30 EFEEHM Cc1cc(C)c(-c2cc(=NC(=O)c3cc(C#N)ccn3)[nH][n-]2)cc1C ZINC000352216401 476557925 /nfs/dbraw/zinc/55/79/25/476557925.db2.gz HOMNUCRRWIZHDU-UHFFFAOYSA-N -1 3 331.379 2.943 10 30 EFEEHM Cc1cc(C)n(Cc2ccc(C([O-])=C(C#N)c3ccncn3)cc2)n1 ZINC000354454909 476672013 /nfs/dbraw/zinc/67/20/13/476672013.db2.gz ASNMKONZQAANGW-QGZVFWFLSA-N -1 3 331.379 2.828 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1cncn1Cc1ccccc1 ZINC000445607739 476754768 /nfs/dbraw/zinc/75/47/68/476754768.db2.gz JOCBFMCSFMZIAF-UHFFFAOYSA-N -1 3 327.413 2.707 10 30 EFEEHM C=CCn1c(=O)[n-]nc1SCc1nc(-c2cccc(C)c2)no1 ZINC000370474373 476827692 /nfs/dbraw/zinc/82/76/92/476827692.db2.gz YVBPLMJMUTUUAG-UHFFFAOYSA-N -1 3 329.385 2.820 10 30 EFEEHM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)ccc2n1 ZINC000446817016 476922807 /nfs/dbraw/zinc/92/28/07/476922807.db2.gz FWWJNSPFEOXUMU-UHFFFAOYSA-N -1 3 326.381 2.624 10 30 EFEEHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000408405316 476949973 /nfs/dbraw/zinc/94/99/73/476949973.db2.gz QLEZZENEDVKERS-KWQFWETISA-N -1 3 347.209 2.559 10 30 EFEEHM N#Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)ccc1F ZINC000431619912 477062923 /nfs/dbraw/zinc/06/29/23/477062923.db2.gz HVGRTGOESBPWHJ-AWEZNQCLSA-N -1 3 340.326 2.982 10 30 EFEEHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000447877946 477081821 /nfs/dbraw/zinc/08/18/21/477081821.db2.gz JLKWTUDOLDRIQP-LBPRGKRZSA-N -1 3 347.864 2.998 10 30 EFEEHM O=C(Cc1ccc(Br)cc1[O-])NCC#Cc1ccccc1 ZINC000431760593 477091460 /nfs/dbraw/zinc/09/14/60/477091460.db2.gz LQJBRUISUHCOTJ-UHFFFAOYSA-N -1 3 344.208 2.865 10 30 EFEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1OCC ZINC000416632886 477244403 /nfs/dbraw/zinc/24/44/03/477244403.db2.gz LRDYNNIHFNEOGE-INIZCTEOSA-N -1 3 346.452 2.946 10 30 EFEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1OCC ZINC000416632893 477244870 /nfs/dbraw/zinc/24/48/70/477244870.db2.gz LRDYNNIHFNEOGE-MRXNPFEDSA-N -1 3 346.452 2.946 10 30 EFEEHM N#CCCSc1ccccc1[N-]S(=O)(=O)c1c[nH]c(=O)s1 ZINC000436476883 477487220 /nfs/dbraw/zinc/48/72/20/477487220.db2.gz KGJSVEJICYEDAS-UHFFFAOYSA-N -1 3 341.439 2.655 10 30 EFEEHM C=CCC1(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])CCOCC1 ZINC000424756977 477507651 /nfs/dbraw/zinc/50/76/51/477507651.db2.gz SVCUXXFVCDBTPR-UHFFFAOYSA-N -1 3 333.384 2.880 10 30 EFEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000425180125 477661638 /nfs/dbraw/zinc/66/16/38/477661638.db2.gz RISSIDZKKZZCDB-ZANVPECISA-N -1 3 336.240 2.863 10 30 EFEEHM N#Cc1ccc(CSc2nc3nncc-3c(O)[n-]2)c(OC(F)F)c1 ZINC000439557844 478001782 /nfs/dbraw/zinc/00/17/82/478001782.db2.gz WEAAEQHSIRWKGE-UHFFFAOYSA-N -1 3 349.322 2.824 10 30 EFEEHM C=CCCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000472698063 478015129 /nfs/dbraw/zinc/01/51/29/478015129.db2.gz JABRLFJXOKTJTC-UHFFFAOYSA-N -1 3 331.821 2.761 10 30 EFEEHM COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451740304 478186793 /nfs/dbraw/zinc/18/67/93/478186793.db2.gz ZYSLEWLVBWBVSB-JQWIXIFHSA-N -1 3 328.821 2.709 10 30 EFEEHM COCCOCc1cccc([N-]c2ncc(C#N)cc2[N+](=O)[O-])c1 ZINC000590686947 478289402 /nfs/dbraw/zinc/28/94/02/478289402.db2.gz MIXBTTJKQPWYDZ-UHFFFAOYSA-N -1 3 328.328 2.768 10 30 EFEEHM N#CC1(CC(=O)Nc2cc(Br)ccc2[O-])CCOCC1 ZINC000597443711 478354780 /nfs/dbraw/zinc/35/47/80/478354780.db2.gz WKKRQQAMXQWFHI-UHFFFAOYSA-N -1 3 339.189 2.804 10 30 EFEEHM N#Cc1cccnc1OC1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000525872556 478398753 /nfs/dbraw/zinc/39/87/53/478398753.db2.gz JCTUAWNUOWIJRO-UHFFFAOYSA-N -1 3 337.379 2.779 10 30 EFEEHM CC(C)(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000594480267 478405115 /nfs/dbraw/zinc/40/51/15/478405115.db2.gz OUIHKUPKPGQYMS-JOCQHMNTSA-N -1 3 342.848 2.836 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1CCCCO1 ZINC000594486741 478406986 /nfs/dbraw/zinc/40/69/86/478406986.db2.gz HPVSHFQAFGJCCP-KGLIPLIRSA-N -1 3 342.848 2.838 10 30 EFEEHM CC[C@@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCCO1 ZINC000594487573 478407850 /nfs/dbraw/zinc/40/78/50/478407850.db2.gz NOKISIJAMNKZKK-ZIAGYGMSSA-N -1 3 342.848 2.838 10 30 EFEEHM C=C[C@@H]1OCCC[C@H]1NCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000581984782 478482545 /nfs/dbraw/zinc/48/25/45/478482545.db2.gz ACIOPUCHNBJLBX-OLZOCXBDSA-N -1 3 325.368 2.905 10 30 EFEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCOC1 ZINC000594755845 478531875 /nfs/dbraw/zinc/53/18/75/478531875.db2.gz ZMKFIVMLTUNNOD-GFCCVEGCSA-N -1 3 336.438 2.539 10 30 EFEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000594790858 478541017 /nfs/dbraw/zinc/54/10/17/478541017.db2.gz YSDZMNGOEVBDSK-JSGCOSHPSA-N -1 3 349.412 2.880 10 30 EFEEHM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000594801630 478545908 /nfs/dbraw/zinc/54/59/08/478545908.db2.gz QGTZPNFRAXUMNF-CYBMUJFWSA-N -1 3 342.848 2.695 10 30 EFEEHM COc1ccsc1S(=O)(=O)[N-]C(C)(C)c1cccc(C#N)c1 ZINC000594814669 478549762 /nfs/dbraw/zinc/54/97/62/478549762.db2.gz XTPMEXKNCUEPCS-UHFFFAOYSA-N -1 3 336.438 2.842 10 30 EFEEHM CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c[nH]1 ZINC000594814694 478550179 /nfs/dbraw/zinc/55/01/79/478550179.db2.gz XWHVHXIFFJOXRQ-UHFFFAOYSA-N -1 3 332.429 2.618 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000563415767 478553170 /nfs/dbraw/zinc/55/31/70/478553170.db2.gz FGCRTZUBCMIFLU-UHFFFAOYSA-N -1 3 328.390 2.628 10 30 EFEEHM C=CCOc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1OC ZINC000563430754 478557863 /nfs/dbraw/zinc/55/78/63/478557863.db2.gz AIFKXCHNLDJXAH-MRXNPFEDSA-N -1 3 342.395 2.961 10 30 EFEEHM C[C@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(F)F ZINC000594856905 478563165 /nfs/dbraw/zinc/56/31/65/478563165.db2.gz KNDMZKAEBDOHBE-LBPRGKRZSA-N -1 3 334.775 2.925 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCCC1 ZINC000594869682 478567440 /nfs/dbraw/zinc/56/74/40/478567440.db2.gz QISSCAMWXQGSSN-UHFFFAOYSA-N -1 3 332.347 2.856 10 30 EFEEHM Cc1ccc(C[S@](=O)Cc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000600924280 478568093 /nfs/dbraw/zinc/56/80/93/478568093.db2.gz VTRBTSMUNCPEDE-QHCPKHFHSA-N -1 3 327.409 2.689 10 30 EFEEHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1(F)F ZINC000595351322 478742150 /nfs/dbraw/zinc/74/21/50/478742150.db2.gz RGAAGHNLHJPOCU-LLVKDONJSA-N -1 3 334.775 2.781 10 30 EFEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc2c(c1)CCCO2 ZINC000595413429 478766034 /nfs/dbraw/zinc/76/60/34/478766034.db2.gz BMKFPCFFNBYTOO-NSHDSACASA-N -1 3 348.449 2.984 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-]CC(C)(C)CC(F)(F)F)cc1C#N ZINC000595417515 478767415 /nfs/dbraw/zinc/76/74/15/478767415.db2.gz IHGMUZGEIOLXSG-UHFFFAOYSA-N -1 3 335.351 2.519 10 30 EFEEHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000592087204 478767419 /nfs/dbraw/zinc/76/74/19/478767419.db2.gz WJRDMGNMRYHFGE-TXEJJXNPSA-N -1 3 342.848 2.836 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000601498118 478852697 /nfs/dbraw/zinc/85/26/97/478852697.db2.gz PWAGAUHJJXZMTA-UHFFFAOYSA-N -1 3 331.459 2.805 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3nnc(C(F)(F)F)[n-]3)CC2)c1 ZINC000507551212 478926147 /nfs/dbraw/zinc/92/61/47/478926147.db2.gz OQWOVLLNPPVJKY-UHFFFAOYSA-N -1 3 339.252 2.505 10 30 EFEEHM N#Cc1cc(F)cc(C2(C(=O)Nc3nc(C(F)(F)F)n[n-]3)CC2)c1 ZINC000507551212 478926158 /nfs/dbraw/zinc/92/61/58/478926158.db2.gz OQWOVLLNPPVJKY-UHFFFAOYSA-N -1 3 339.252 2.505 10 30 EFEEHM Cc1ncc(S(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)cc1C#N ZINC000598628241 478932569 /nfs/dbraw/zinc/93/25/69/478932569.db2.gz MXOOVZBQHRVMJO-CQSZACIVSA-N -1 3 343.399 2.754 10 30 EFEEHM Cc1n[nH]c(C(F)F)c1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000583752947 478933561 /nfs/dbraw/zinc/93/35/61/478933561.db2.gz IURSOMLUQLWQSA-UHFFFAOYSA-N -1 3 340.355 2.664 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)CC(F)F ZINC000592672651 478991456 /nfs/dbraw/zinc/99/14/56/478991456.db2.gz NNFYPRJGRMKTAB-VIFPVBQESA-N -1 3 325.359 2.616 10 30 EFEEHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)CCCC1 ZINC000546069666 479005026 /nfs/dbraw/zinc/00/50/26/479005026.db2.gz KMMKDJYUHNHPTB-UHFFFAOYSA-N -1 3 345.424 2.845 10 30 EFEEHM C=C(C)[C@H](NC(=O)N=c1cc(OC)n(C)[n-]1)c1ccc(F)c(F)c1 ZINC000547838176 479121881 /nfs/dbraw/zinc/12/18/81/479121881.db2.gz KIHZULWAPMYVIG-HNNXBMFYSA-N -1 3 336.342 2.568 10 30 EFEEHM C=CCCCCC[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000568241475 479121956 /nfs/dbraw/zinc/12/19/56/479121956.db2.gz NWOAZFAAPIPNDS-UHFFFAOYSA-N -1 3 329.393 2.637 10 30 EFEEHM CO[C@@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000569052911 479133832 /nfs/dbraw/zinc/13/38/32/479133832.db2.gz BNYUWDBVSMFXKI-IUODEOHRSA-N -1 3 340.420 2.515 10 30 EFEEHM N#Cc1ccc(OC2CCN(c3cc[n-]c(=O)c3[N+](=O)[O-])CC2)cc1 ZINC000596107216 479141625 /nfs/dbraw/zinc/14/16/25/479141625.db2.gz KQYPRHYHUGNNIU-UHFFFAOYSA-N -1 3 340.339 2.615 10 30 EFEEHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccsc2C#N)nc1 ZINC000599413533 479289251 /nfs/dbraw/zinc/28/92/51/479289251.db2.gz ZHDOBRDMEUIEDV-UHFFFAOYSA-N -1 3 335.454 2.579 10 30 EFEEHM Cc1csc(C2([N-]S(=O)(=O)c3ccccc3CC#N)CCC2)n1 ZINC000585708236 479314280 /nfs/dbraw/zinc/31/42/80/479314280.db2.gz LHTHKLMIAFTPBS-UHFFFAOYSA-N -1 3 347.465 2.875 10 30 EFEEHM COc1ccccc1C(C)(C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593541447 479381996 /nfs/dbraw/zinc/38/19/96/479381996.db2.gz ATEYMKFXSPUZQE-UHFFFAOYSA-N -1 3 336.438 2.842 10 30 EFEEHM COc1ccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CC2)cc1 ZINC000593540819 479382329 /nfs/dbraw/zinc/38/23/29/479382329.db2.gz CKMOJJXSWCVUNQ-UHFFFAOYSA-N -1 3 334.422 2.596 10 30 EFEEHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593589594 479395772 /nfs/dbraw/zinc/39/57/72/479395772.db2.gz WBNBQNKCCBWPSK-MRVPVSSYSA-N -1 3 326.365 2.875 10 30 EFEEHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593546631 479384232 /nfs/dbraw/zinc/38/42/32/479384232.db2.gz HZZRWFIPAJEVGI-SMDDNHRTSA-N -1 3 342.486 2.739 10 30 EFEEHM Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)s1 ZINC000593547724 479384380 /nfs/dbraw/zinc/38/43/80/479384380.db2.gz JTFCWMVVKWOOPU-SECBINFHSA-N -1 3 326.468 2.899 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C1CC1 ZINC000593549555 479385312 /nfs/dbraw/zinc/38/53/12/479385312.db2.gz VVZJXJGSEINDGF-AWEZNQCLSA-N -1 3 332.450 2.919 10 30 EFEEHM CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccsc1C#N ZINC000593559979 479387005 /nfs/dbraw/zinc/38/70/05/479387005.db2.gz QFINQZNINLCKLQ-GHMZBOCLSA-N -1 3 330.500 2.962 10 30 EFEEHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1ccsc1C#N ZINC000593558331 479387687 /nfs/dbraw/zinc/38/76/87/479387687.db2.gz VUPYIPWVXIVZGI-GFCCVEGCSA-N -1 3 336.438 2.674 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCCC2)C1 ZINC000593564105 479389240 /nfs/dbraw/zinc/38/92/40/479389240.db2.gz KWQARKAJODRLMN-LBPRGKRZSA-N -1 3 340.470 2.780 10 30 EFEEHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CCO1 ZINC000593574075 479391311 /nfs/dbraw/zinc/39/13/11/479391311.db2.gz XOGAKLSVBXPGIR-QWHCGFSZSA-N -1 3 342.486 2.882 10 30 EFEEHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(CC#N)CC1 ZINC000593590541 479395380 /nfs/dbraw/zinc/39/53/80/479395380.db2.gz FWUSEFZCIQFFOW-UHFFFAOYSA-N -1 3 349.275 2.791 10 30 EFEEHM CCO[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593589430 479395482 /nfs/dbraw/zinc/39/54/82/479395482.db2.gz SSDNXQJBVHXBFD-ZDUSSCGKSA-N -1 3 336.438 2.676 10 30 EFEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000593606859 479399977 /nfs/dbraw/zinc/39/99/77/479399977.db2.gz DNVLIQNEFORURI-AWEZNQCLSA-N -1 3 343.433 2.847 10 30 EFEEHM CC[C@H](C[N-]S(=O)(=O)c1ccsc1C#N)CC(F)(F)F ZINC000593609340 479400764 /nfs/dbraw/zinc/40/07/64/479400764.db2.gz VZKCPEKKZGWNGC-QMMMGPOBSA-N -1 3 326.365 2.877 10 30 EFEEHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593607153 479400893 /nfs/dbraw/zinc/40/08/93/479400893.db2.gz MQQYJOFKSSUGQS-LBPRGKRZSA-N -1 3 335.454 2.704 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000593621185 479405074 /nfs/dbraw/zinc/40/50/74/479405074.db2.gz PHUZBALBXXNSDL-UHFFFAOYSA-N -1 3 343.792 2.610 10 30 EFEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000593621699 479405178 /nfs/dbraw/zinc/40/51/78/479405178.db2.gz RMILYPIZPCLACB-UHFFFAOYSA-N -1 3 349.275 2.873 10 30 EFEEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC000593619604 479405409 /nfs/dbraw/zinc/40/54/09/479405409.db2.gz DIESQHPDONBHDJ-UHFFFAOYSA-N -1 3 328.821 2.711 10 30 EFEEHM CC(C)C[C@@H](C#N)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000590206124 479617755 /nfs/dbraw/zinc/61/77/55/479617755.db2.gz HDYAGABYANMNDH-LBPRGKRZSA-N -1 3 325.206 2.752 10 30 EFEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OCC)C2CC2)c1 ZINC000625111416 479774948 /nfs/dbraw/zinc/77/49/48/479774948.db2.gz MOLJWMGGRFRUIW-INIZCTEOSA-N -1 3 325.430 2.808 10 30 EFEEHM C=CCCC1(CNC(=O)CNC(=O)c2cccc([O-])c2)CCCC1 ZINC000617417179 480210242 /nfs/dbraw/zinc/21/02/42/480210242.db2.gz OSSUWQNZCXDNNB-UHFFFAOYSA-N -1 3 330.428 2.765 10 30 EFEEHM C=CCOc1cccc([N-]S(=O)(=O)CC2(OC)CCCC2)c1 ZINC000632183279 480435270 /nfs/dbraw/zinc/43/52/70/480435270.db2.gz NQUUVRSZPAHVGD-UHFFFAOYSA-N -1 3 325.430 2.952 10 30 EFEEHM C=C(C)CN1CCC(N=c2[n-]c(-c3cc(F)cc(OC)c3)no2)CC1 ZINC000623951717 480536541 /nfs/dbraw/zinc/53/65/41/480536541.db2.gz XXGAPRIOYJGCKP-UHFFFAOYSA-N -1 3 346.406 2.759 10 30 EFEEHM C=CCCC(C)(C)CNC(=O)C(=O)[N-]c1nccn1-c1ccccc1 ZINC000635262329 480795285 /nfs/dbraw/zinc/79/52/85/480795285.db2.gz WHLJJVIXVXCUNB-UHFFFAOYSA-N -1 3 340.427 2.919 10 30 EFEEHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645749320 480924620 /nfs/dbraw/zinc/92/46/20/480924620.db2.gz SEPMGNDQYCMRHJ-ZDUSSCGKSA-N -1 3 325.455 2.815 10 30 EFEEHM C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc(Br)cc1[O-] ZINC000653941406 481545944 /nfs/dbraw/zinc/54/59/44/481545944.db2.gz CEZWAKXMCJIRCS-OCCSQVGLSA-N -1 3 340.217 2.547 10 30 EFEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(C#N)c3)c2)n1 ZINC000192751084 523738043 /nfs/dbraw/zinc/73/80/43/523738043.db2.gz UHPRQMSXVHAHHV-UHFFFAOYSA-N -1 3 345.362 2.518 10 30 EFEEHM COc1nnc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[n-]1 ZINC000182992174 524981157 /nfs/dbraw/zinc/98/11/57/524981157.db2.gz WYVVKAVHQUCSIJ-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1nc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n[n-]1 ZINC000182992174 524981168 /nfs/dbraw/zinc/98/11/68/524981168.db2.gz WYVVKAVHQUCSIJ-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM COc1n[n-]c(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)n1 ZINC000182992174 524981173 /nfs/dbraw/zinc/98/11/73/524981173.db2.gz WYVVKAVHQUCSIJ-UHFFFAOYSA-N -1 3 349.350 2.516 10 30 EFEEHM C=CCOc1ccc(CN2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc1 ZINC000414660454 534883536 /nfs/dbraw/zinc/88/35/36/534883536.db2.gz PJOXZYQAKAURDI-ZIAGYGMSSA-N -1 3 329.318 2.946 10 30 EFEEHM CCN1C(=O)CCc2cc(/N=C/c3c([O-])c(C)ncc3CO)ccc21 ZINC000273439442 535429389 /nfs/dbraw/zinc/42/93/89/535429389.db2.gz ARWGMAVIKXEGPL-UFFVCSGVSA-N -1 3 339.395 2.638 10 30 EFEEHM C=CCOCCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000657147764 547044764 /nfs/dbraw/zinc/04/47/64/547044764.db2.gz GUTRCZCEHMKRTB-UHFFFAOYSA-N -1 3 341.326 2.716 10 30 EFEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cnn(CC(F)(F)F)c1 ZINC000682497260 549750185 /nfs/dbraw/zinc/75/01/85/549750185.db2.gz FCYWNEZUCWSMGS-LLVKDONJSA-N -1 3 347.300 2.822 10 30 EFEEHM C=CCc1cc(OC)cc(CN2CCOC[C@@H]2C(F)(F)F)c1[O-] ZINC000754742763 575481393 /nfs/dbraw/zinc/48/13/93/575481393.db2.gz ZMEDXEPUSTWIHC-CQSZACIVSA-N -1 3 331.334 2.892 10 30 EFEEHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3c(F)cccc3F)C2)c1[O-] ZINC000755032000 575532467 /nfs/dbraw/zinc/53/24/67/575532467.db2.gz PIXVJTYJHDHGMU-OFOCJOHBSA-N -1 3 347.365 2.564 10 30 EFEEHM COc1ccc(-n2cc(C/N=C\c3c([O-])cccc3OC)nn2)cc1 ZINC000755030792 575532587 /nfs/dbraw/zinc/53/25/87/575532587.db2.gz DIWIBVVMWPRYTQ-ODLFYWEKSA-N -1 3 338.367 2.609 10 30 EFEEHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2ccc([O-])cn2)C1=O ZINC000755553426 575601171 /nfs/dbraw/zinc/60/11/71/575601171.db2.gz DDRHQMMJYAWYIP-QGZVFWFLSA-N -1 3 332.404 2.792 10 30 EFEEHM COc1ccc([C@@H](NCc2ccc(OC)c(C#N)c2)C(=O)[O-])cc1F ZINC000756362287 575723278 /nfs/dbraw/zinc/72/32/78/575723278.db2.gz KKCHDLXURIOLFH-QGZVFWFLSA-N -1 3 344.342 2.630 10 30 EFEEHM COC(=O)c1ccc([O-])c([C@H](C)NCc2ccc(OC)c(C#N)c2)c1 ZINC000756762655 575784767 /nfs/dbraw/zinc/78/47/67/575784767.db2.gz VBHKIJLAIIMLMT-LBPRGKRZSA-N -1 3 340.379 2.910 10 30 EFEEHM Cc1ncc(CO)c(/C=N\Cc2nc3ccccc3n2C2CC2)c1[O-] ZINC000758816028 575877926 /nfs/dbraw/zinc/87/79/26/575877926.db2.gz PIGFTLLRDYRZTD-UKWGHVSLSA-N -1 3 336.395 2.892 10 30 EFEEHM Cc1ncc(CO)c(/C=N\Cc2ncc(-c3ccccc3)cn2)c1[O-] ZINC000763364779 576374318 /nfs/dbraw/zinc/37/43/18/576374318.db2.gz ZCHBNHHHAYRNSD-JMIUGGIZSA-N -1 3 334.379 2.664 10 30 EFEEHM C=CCCC[C@H](C)OC(=O)C[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000765415069 577039954 /nfs/dbraw/zinc/03/99/54/577039954.db2.gz BCEYDFMRWWTQCD-LHNRBYRGSA-N -1 3 337.441 2.865 10 30 EFEEHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(COC)c2)cc1 ZINC000765586522 577056955 /nfs/dbraw/zinc/05/69/55/577056955.db2.gz HXPMJXFZZRUTMB-QGZVFWFLSA-N -1 3 337.379 2.752 10 30 EFEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)/C=C/c1cccc(Br)c1 ZINC000766046704 577101351 /nfs/dbraw/zinc/10/13/51/577101351.db2.gz AJDSHAIVNRTWKC-YBJDMEARSA-N -1 3 343.246 2.887 10 30 EFEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000766616993 577171481 /nfs/dbraw/zinc/17/14/81/577171481.db2.gz MSSDBLKSAOZZAL-IAGOWNOFSA-N -1 3 349.390 2.937 10 30 EFEEHM Cc1ccn(-c2ccccc2C/N=C/c2c([O-])c(C)ncc2CO)n1 ZINC000767689770 577227434 /nfs/dbraw/zinc/22/74/34/577227434.db2.gz OMROXABLSFKOPG-RGVLZGJSSA-N -1 3 336.395 2.701 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(=O)c(Cl)c[nH]1 ZINC000773643534 581453235 /nfs/dbraw/zinc/45/32/35/581453235.db2.gz AFLRNGGHHHHEDG-UHFFFAOYSA-N -1 3 346.774 2.601 10 30 EFEEHM C=CC(C)(C)CC(=O)NCCN(CCC)C(=O)c1ccccc1[O-] ZINC001745455918 1249746406 /nfs/dbraw/zinc/74/64/06/1249746406.db2.gz GDLSDDJFJCGFBV-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=C(C)CCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3[O-])CC[C@@H]2C1 ZINC001719576594 1247862042 /nfs/dbraw/zinc/86/20/42/1247862042.db2.gz UQWBDOFJGCCBDC-CVEARBPZSA-N -1 3 342.439 2.669 10 30 EFEEHM C=CCC1(C(=O)N2CC[C@H](N(C)C(=O)c3ccccc3[O-])C2)CCC1 ZINC001687238098 1248117072 /nfs/dbraw/zinc/11/70/72/1248117072.db2.gz CPDONFFTGXSCAO-HNNXBMFYSA-N -1 3 342.439 2.812 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC/C=C/C(F)(F)F ZINC000851283978 1250907641 /nfs/dbraw/zinc/90/76/41/1250907641.db2.gz CTXDUTVPQACSQR-ZZXKWVIFSA-N -1 3 328.290 2.870 10 30 EFEEHM C#C[C@H]1CCCC[C@H]1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000851532316 1251059589 /nfs/dbraw/zinc/05/95/89/1251059589.db2.gz OZNDUEKZJVCDDH-WMLDXEAASA-N -1 3 326.396 2.944 10 30 EFEEHM C#C[C@H]1CCCC[C@H]1OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000851534265 1251064327 /nfs/dbraw/zinc/06/43/27/1251064327.db2.gz MVDGZDATKWRFIB-XHDPSFHLSA-N -1 3 339.388 2.546 10 30 EFEEHM C#CCCCC(=O)NCCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001746488332 1256923663 /nfs/dbraw/zinc/92/36/63/1256923663.db2.gz HVSPVMIGDRQAEL-UHFFFAOYSA-N -1 3 342.439 2.554 10 30 EFEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c(Cl)c1 ZINC000921617964 1257607957 /nfs/dbraw/zinc/60/79/57/1257607957.db2.gz RNQFIGHAYGHNBH-DTWKUNHWSA-N -1 3 338.738 2.688 10 30 EFEEHM Nc1nccc(C(=O)N([O-])Cc2cccc3ccccc32)c1[N+](=O)[O-] ZINC001649069406 1258157557 /nfs/dbraw/zinc/15/75/57/1258157557.db2.gz AIJJAMPWRGOTBQ-UHFFFAOYSA-N -1 3 338.323 2.757 10 30 EFEEHM C#CCC1([N-]S(=O)(=O)c2ccc(Br)s2)CCC1 ZINC000922048250 1264214301 /nfs/dbraw/zinc/21/43/01/1264214301.db2.gz CQJIGYMRUYXHGP-UHFFFAOYSA-N -1 3 334.260 2.735 10 30 EFEEHM Cc1oc(C(=O)[N-]c2sc(C)c(C)c2C#N)cc1S(C)(=O)=O ZINC001411249500 1272133038 /nfs/dbraw/zinc/13/30/38/1272133038.db2.gz SRBLNYDRAURDLM-UHFFFAOYSA-N -1 3 338.410 2.794 10 30 EFEEHM COc1ccccc1-c1nnc([N-]C(=O)c2coc(C#N)c2)s1 ZINC001129111469 1273793648 /nfs/dbraw/zinc/79/36/48/1273793648.db2.gz BIOHHLBRIWVZJQ-UHFFFAOYSA-N -1 3 326.337 2.931 10 30 EFEEHM CCc1c(C)sc([N-]C(=O)c2coc(S(C)(=O)=O)c2)c1C#N ZINC000844371129 1278915378 /nfs/dbraw/zinc/91/53/78/1278915378.db2.gz KZLAETIFCOIKDV-UHFFFAOYSA-N -1 3 338.410 2.739 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000820126713 1277036813 /nfs/dbraw/zinc/03/68/13/1277036813.db2.gz FQYVSBGZMVUKFY-RRFJBIMHSA-N -1 3 336.819 2.720 10 30 EFEEHM Cc1cc(F)ccc1-c1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1F ZINC000820174706 1277059556 /nfs/dbraw/zinc/05/95/56/1277059556.db2.gz LZZBKXBFTLYSEJ-INIZCTEOSA-N -1 3 346.333 2.660 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cccc(Cl)c2)CCCCC1 ZINC000820178745 1277060783 /nfs/dbraw/zinc/06/07/83/1277060783.db2.gz ABGUJSGLFXAWEP-CQSZACIVSA-N -1 3 336.819 2.648 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000820180383 1277064229 /nfs/dbraw/zinc/06/42/29/1277064229.db2.gz XIJDDFKSUQXNKK-HNNXBMFYSA-N -1 3 346.770 2.852 10 30 EFEEHM COc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1C#N ZINC000789903480 1277088927 /nfs/dbraw/zinc/08/89/27/1277088927.db2.gz ZFIQRDPJHCSJPZ-LJQANCHMSA-N -1 3 340.354 2.722 10 30 EFEEHM Cc1cc(Br)c([O-])c(CN=Nc2nc3ccccn3n2)c1 ZINC000790197946 1277343724 /nfs/dbraw/zinc/34/37/24/1277343724.db2.gz NICSSZNYHQGTBB-UHFFFAOYSA-N -1 3 346.188 2.952 10 30 EFEEHM C#C[C@@H](CC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790326638 1277428536 /nfs/dbraw/zinc/42/85/36/1277428536.db2.gz CLNMGMWHPYMFQE-QMMMGPOBSA-N -1 3 336.638 2.793 10 30 EFEEHM Cn1cc(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(Cl)n1 ZINC000845843238 1279860149 /nfs/dbraw/zinc/86/01/49/1279860149.db2.gz KPVKVJOGGHOTIY-CQSZACIVSA-N -1 3 341.798 2.626 10 30 EFEEHM Cn1cc(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(Cl)n1 ZINC000845843238 1279860161 /nfs/dbraw/zinc/86/01/61/1279860161.db2.gz KPVKVJOGGHOTIY-CQSZACIVSA-N -1 3 341.798 2.626 10 30 EFEEHM C[C@@]1(CC[N-]S(=O)(=O)c2cccc(F)c2C#N)C[C@]1(F)Cl ZINC000845980863 1279956035 /nfs/dbraw/zinc/95/60/35/1279956035.db2.gz MHKYBQGAISGTME-CHWSQXEVSA-N -1 3 334.775 2.680 10 30 EFEEHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CC1CC2(CCC2)C1)C(=O)OCC ZINC000872510224 1287630728 /nfs/dbraw/zinc/63/07/28/1287630728.db2.gz MIXOUBZZBGRYRJ-CYBMUJFWSA-N -1 3 349.880 2.560 10 30 EFEEHM CCCCCC[C@H](C)NC(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184000 1284091932 /nfs/dbraw/zinc/09/19/32/1284091932.db2.gz FAZPIZBNJQLMMD-ZDUSSCGKSA-N -1 3 332.400 2.896 10 30 EFEEHM N#Cc1cc([O-])cc(C(=O)OCc2cncn2Cc2ccccc2)c1 ZINC000811186712 1284095920 /nfs/dbraw/zinc/09/59/20/1284095920.db2.gz VQAHTHHTKJHXGZ-UHFFFAOYSA-N -1 3 333.347 2.866 10 30 EFEEHM N#Cc1cc([O-])cc(C(=O)OCc2ccn(-c3ccc(F)cc3)n2)c1 ZINC000811188511 1284100056 /nfs/dbraw/zinc/10/00/56/1284100056.db2.gz MRYVPHCCVCRHJJ-UHFFFAOYSA-N -1 3 337.310 2.946 10 30 EFEEHM C#C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CC1 ZINC000872671714 1287733100 /nfs/dbraw/zinc/73/31/00/1287733100.db2.gz WOYMBYATNFAOGW-XYPYZODXSA-N -1 3 332.347 2.571 10 30 EFEEHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)OCC ZINC001133157311 1284888051 /nfs/dbraw/zinc/88/80/51/1284888051.db2.gz JIKHKEJUBXGXLK-ZDUSSCGKSA-N -1 3 329.318 2.932 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000816690280 1288246383 /nfs/dbraw/zinc/24/63/83/1288246383.db2.gz NAQZRESMTNWGEG-CVEARBPZSA-N -1 3 342.420 2.626 10 30 EFEEHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000816690282 1288246477 /nfs/dbraw/zinc/24/64/77/1288246477.db2.gz NAQZRESMTNWGEG-HZPDHXFCSA-N -1 3 342.420 2.626 10 30 EFEEHM CC(C)c1cccc(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)o2)c1 ZINC000816691602 1288246963 /nfs/dbraw/zinc/24/69/63/1288246963.db2.gz VAHDQEMNAUTFDQ-CQSZACIVSA-N -1 3 328.368 2.790 10 30 EFEEHM CC(C)c1ccc(-c2nc(C(=O)N[C@H]3CCN([O-])C3=O)cs2)cc1 ZINC000816691099 1288247385 /nfs/dbraw/zinc/24/73/85/1288247385.db2.gz KUYMDOXOLWIWHX-ZDUSSCGKSA-N -1 3 345.424 2.653 10 30 EFEEHM O=C(N[C@H]1CCN([O-])C1=O)c1ccccc1SCc1cccs1 ZINC000816691494 1288247438 /nfs/dbraw/zinc/24/74/38/1288247438.db2.gz SHWXUBMIDQUEEJ-ZDUSSCGKSA-N -1 3 348.449 2.760 10 30 EFEEHM C=C[C@H](C)O[N-]C(=O)Nc1nc(-c2ncc(Cl)n2C)cs1 ZINC000824484373 1289665401 /nfs/dbraw/zinc/66/54/01/1289665401.db2.gz DYGZINVFDDUOKJ-ZETCQYMHSA-N -1 3 327.797 2.825 10 30 EFEEHM CCOC(=O)c1cnc(C)c(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001184347733 1290450805 /nfs/dbraw/zinc/45/08/05/1290450805.db2.gz BDKWQJIZHHMFJD-UHFFFAOYSA-N -1 3 332.331 2.737 10 30 EFEEHM C=C(C)CN(Cc1ccccc1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000878532746 1291705054 /nfs/dbraw/zinc/70/50/54/1291705054.db2.gz GKZJFURUBSUCRQ-UHFFFAOYSA-N -1 3 325.412 2.833 10 30 EFEEHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000796098727 1292001562 /nfs/dbraw/zinc/00/15/62/1292001562.db2.gz YILUOEMAMRBKEZ-CQSZACIVSA-N -1 3 334.828 2.648 10 30 EFEEHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(C#Cc2ccccc2)cc1 ZINC001137177188 1293154426 /nfs/dbraw/zinc/15/44/26/1293154426.db2.gz GYLZGHVCLIVLPT-UHFFFAOYSA-N -1 3 345.358 2.848 10 30 EFEEHM C=CCCC[C@@H]([N-]S(=O)(=O)N=S(C)(C)=O)c1ccccc1 ZINC000882722857 1293296522 /nfs/dbraw/zinc/29/65/22/1293296522.db2.gz GNHBWBIVTHSXGC-CQSZACIVSA-N -1 3 330.475 2.646 10 30 EFEEHM C#CCCCCCC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001299505810 1296258198 /nfs/dbraw/zinc/25/81/98/1296258198.db2.gz SJIXTOTZVNRBSK-HXUWFJFHSA-N -1 3 342.439 2.697 10 30 EFEEHM [O-]c1csc(NN=Cc2ccccc2OCC2=CC[C@H](F)C=C2)n1 ZINC000254386108 1299379419 /nfs/dbraw/zinc/37/94/19/1299379419.db2.gz QPJSRRDJNPDABQ-CQSZACIVSA-N -1 3 345.399 2.843 10 30 EFEEHM N#C[C@@]1(c2ccccn2)CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000855298821 1300899928 /nfs/dbraw/zinc/89/99/28/1300899928.db2.gz FKKXJAYGBOPXKG-IBGZPJMESA-N -1 3 339.370 2.553 10 30 EFEEHM N#C[C@]1(c2ccccn2)CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000855298822 1300900044 /nfs/dbraw/zinc/90/00/44/1300900044.db2.gz FKKXJAYGBOPXKG-LJQANCHMSA-N -1 3 339.370 2.553 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H](C)C(F)(F)F ZINC000748237249 1313837893 /nfs/dbraw/zinc/83/78/93/1313837893.db2.gz WPNPLBHFVUYWMH-QMMMGPOBSA-N -1 3 330.306 2.950 10 30 EFEEHM [O-]c1ccc(Cl)cc1/C=N\C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000864345931 1302893741 /nfs/dbraw/zinc/89/37/41/1302893741.db2.gz KCSLLEDNGCQDSE-SOFYTKRASA-N -1 3 345.830 2.761 10 30 EFEEHM COC(=O)[C@]12C[C@H]1C[C@H](/N=C/c1cc(Br)ccc1[O-])C2 ZINC000864347150 1302893848 /nfs/dbraw/zinc/89/38/48/1302893848.db2.gz LFELBBUTXVJVLE-QCVGUCPDSA-N -1 3 338.201 2.915 10 30 EFEEHM COC(=O)[C@H](C[C@@H]1CCCOC1)/N=C/c1cc(Cl)ccc1[O-] ZINC000864346050 1302894262 /nfs/dbraw/zinc/89/42/62/1302894262.db2.gz MVCWXWDAXWOBPF-FHKCDVKUSA-N -1 3 325.792 2.823 10 30 EFEEHM Cc1nc(N2CCOCC2)ccc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866334313 1303606755 /nfs/dbraw/zinc/60/67/55/1303606755.db2.gz UPNVZLIVGPWMMN-CYBMUJFWSA-N -1 3 338.411 2.977 10 30 EFEEHM O=C(Cc1cc(Cl)cc2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC000868562521 1304355608 /nfs/dbraw/zinc/35/56/08/1304355608.db2.gz GTTJIEGXWMXLED-HNNXBMFYSA-N -1 3 332.787 2.532 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)OCC ZINC000870033160 1305097485 /nfs/dbraw/zinc/09/74/85/1305097485.db2.gz RFRCHGKHOSBHLO-LBPRGKRZSA-N -1 3 332.183 2.850 10 30 EFEEHM C[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000900404962 1308132021 /nfs/dbraw/zinc/13/20/21/1308132021.db2.gz BUSXTBLEFSPMMN-VIFPVBQESA-N -1 3 336.260 2.734 10 30 EFEEHM O=C(CCc1ccc2c(c1)OCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901375110 1310263532 /nfs/dbraw/zinc/26/35/32/1310263532.db2.gz CKOLALFFWQJCHC-UHFFFAOYSA-N -1 3 331.343 2.948 10 30 EFEEHM CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2cccc(OCC#N)c2)O1 ZINC000901604537 1310739989 /nfs/dbraw/zinc/73/99/89/1310739989.db2.gz RQXCTFGFEINQLP-HNNXBMFYSA-N -1 3 338.429 2.678 10 30 EFEEHM N#CC[C@@H]([N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000901774618 1311026898 /nfs/dbraw/zinc/02/68/98/1311026898.db2.gz IDMUROZLISAQQG-SECBINFHSA-N -1 3 346.252 2.828 10 30 EFEEHM Cc1c(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)sc2nccn12 ZINC000780306672 1311094296 /nfs/dbraw/zinc/09/42/96/1311094296.db2.gz ZVGRBTJFIHHTLN-CYBMUJFWSA-N -1 3 338.392 2.974 10 30 EFEEHM C=CCOc1ccccc1CN1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000901883124 1311151824 /nfs/dbraw/zinc/15/18/24/1311151824.db2.gz ONWZMONKTNADNQ-UHFFFAOYSA-N -1 3 341.411 2.983 10 30 EFEEHM C#Cc1ccc([N-]S(=O)(=O)c2c3c(nn2C)CCCC3)c(Cl)c1 ZINC000901962653 1311246700 /nfs/dbraw/zinc/24/67/00/1311246700.db2.gz IXLVKXHFHFQFMT-UHFFFAOYSA-N -1 3 349.843 2.734 10 30 EFEEHM C=CCn1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)nn1 ZINC001160708629 1311764621 /nfs/dbraw/zinc/76/46/21/1311764621.db2.gz VBWFZROZTWJHOX-UHFFFAOYSA-N -1 3 332.414 2.605 10 30 EFEEHM CCCCCCN([O-])C(=O)c1cc(Br)c(C)n(C)c1=O ZINC001161826950 1311983323 /nfs/dbraw/zinc/98/33/23/1311983323.db2.gz QPRAYXGCDOPVQM-UHFFFAOYSA-N -1 3 345.237 2.868 10 30 EFEEHM C=CCC1(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])CCC1 ZINC001285209460 1320766255 /nfs/dbraw/zinc/76/62/55/1320766255.db2.gz WDJWFQXAWRZVPZ-CQSZACIVSA-N -1 3 330.428 2.621 10 30 EFEEHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903096275 1312350861 /nfs/dbraw/zinc/35/08/61/1312350861.db2.gz WUDAPYQYHMVNSR-SNVBAGLBSA-N -1 3 349.225 2.700 10 30 EFEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cccc(F)c1Br ZINC000903116820 1312371491 /nfs/dbraw/zinc/37/14/91/1312371491.db2.gz JMNMZOKSBDWQFS-LLVKDONJSA-N -1 3 349.225 2.556 10 30 EFEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC001213334379 1314539400 /nfs/dbraw/zinc/53/94/00/1314539400.db2.gz YOUIGOZSBVUNDG-UHFFFAOYSA-N -1 3 343.420 2.883 10 30 EFEEHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCC1CCCCC1)C(=O)OCC ZINC001213546094 1314572253 /nfs/dbraw/zinc/57/22/53/1314572253.db2.gz FLKULGCHGHOVQE-OAHLLOKOSA-N -1 3 331.478 2.774 10 30 EFEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001262990575 1316513662 /nfs/dbraw/zinc/51/36/62/1316513662.db2.gz HPUNYHZBQRNRQA-LLVKDONJSA-N -1 3 333.827 2.529 10 30 EFEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H](C2CCC2)C1 ZINC001262990575 1316513664 /nfs/dbraw/zinc/51/36/64/1316513664.db2.gz HPUNYHZBQRNRQA-LLVKDONJSA-N -1 3 333.827 2.529 10 30 EFEEHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001263285655 1316526957 /nfs/dbraw/zinc/52/69/57/1316526957.db2.gz KXIOWAIKIOVDOO-CHWSQXEVSA-N -1 3 342.447 2.950 10 30 EFEEHM C#CC[C@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2CC(=C)C)C1 ZINC001263288033 1316527852 /nfs/dbraw/zinc/52/78/52/1316527852.db2.gz CPDRAMFHOSKWMR-LBPRGKRZSA-N -1 3 345.838 2.532 10 30 EFEEHM C#CC[C@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2CC(=C)C)C1 ZINC001263288033 1316527853 /nfs/dbraw/zinc/52/78/53/1316527853.db2.gz CPDRAMFHOSKWMR-LBPRGKRZSA-N -1 3 345.838 2.532 10 30 EFEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N(C)Cc1ccc(C)o1 ZINC001263316068 1316529942 /nfs/dbraw/zinc/52/99/42/1316529942.db2.gz MHRXGPRMDGBTDI-UHFFFAOYSA-N -1 3 340.387 2.555 10 30 EFEEHM C=CCC(CC=C)C(=O)N[C@@H]1C[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001281160698 1318048683 /nfs/dbraw/zinc/04/86/83/1318048683.db2.gz VAPMTIIQPAHTAY-GOEBONIOSA-N -1 3 342.439 2.880 10 30 EFEEHM CC#CCCCC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001281204371 1318098892 /nfs/dbraw/zinc/09/88/92/1318098892.db2.gz VNXSGWPBUWRSOH-NVXWUHKLSA-N -1 3 342.439 2.695 10 30 EFEEHM C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)C(=O)c1ccccc1[O-] ZINC001281487530 1318357013 /nfs/dbraw/zinc/35/70/13/1318357013.db2.gz MXKNQFIRGKUSSL-CQSZACIVSA-N -1 3 332.444 2.961 10 30 EFEEHM C[C@@H](CCCCNC(=O)c1ccccc1[O-])NC(=O)C#CC(C)(C)C ZINC001281562034 1318458239 /nfs/dbraw/zinc/45/82/39/1318458239.db2.gz GDCHSRPNAHDQIN-HNNXBMFYSA-N -1 3 344.455 2.847 10 30 EFEEHM C=CCC(C)(C)C(=O)N1C[C@@H]2CCN(C(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001281599021 1318506621 /nfs/dbraw/zinc/50/66/21/1318506621.db2.gz MNUFKMRJDWVMEV-GOEBONIOSA-N -1 3 342.439 2.667 10 30 EFEEHM C=CCC(C)(C)C(=O)NCCCN(CC)C(=O)c1ccccc1[O-] ZINC001283720141 1319997248 /nfs/dbraw/zinc/99/72/48/1319997248.db2.gz DTQRDHRUVVYZQY-UHFFFAOYSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CCCC(=O)N1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2[O-])C1 ZINC001284069164 1320177353 /nfs/dbraw/zinc/17/73/53/1320177353.db2.gz ADHGWLABHBIIEQ-WBVHZDCISA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001284347642 1320329710 /nfs/dbraw/zinc/32/97/10/1320329710.db2.gz JJFXBBBZHYMSJE-HNNXBMFYSA-N -1 3 342.439 2.739 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001284656040 1320459726 /nfs/dbraw/zinc/45/97/26/1320459726.db2.gz KGSUKAQTOIEUBZ-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C[C@H](CC)CC(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001284689082 1320476175 /nfs/dbraw/zinc/47/61/75/1320476175.db2.gz BUVFBXJKKBMJLX-HUUCEWRRSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC001284804390 1320538186 /nfs/dbraw/zinc/53/81/86/1320538186.db2.gz XAVGPQLVPARUAT-QGZVFWFLSA-N -1 3 338.407 2.946 10 30 EFEEHM C=CC1(CC(=O)N2CC(NC(=O)c3ccccc3[O-])C2)CCCCC1 ZINC001284880965 1320579337 /nfs/dbraw/zinc/57/93/37/1320579337.db2.gz GJSAOXUZDWHVPW-UHFFFAOYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=CCCCC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001285139614 1320721390 /nfs/dbraw/zinc/72/13/90/1320721390.db2.gz CAYCFYPSRAIJRM-IBGZPJMESA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)CCC(=O)N1CC[C@H]2CN(C(=O)c3ccccc3[O-])CC[C@H]21 ZINC001285392526 1320882274 /nfs/dbraw/zinc/88/22/74/1320882274.db2.gz XSGWZABRKOJYHZ-DOTOQJQBSA-N -1 3 342.439 2.812 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001285827686 1321098474 /nfs/dbraw/zinc/09/84/74/1321098474.db2.gz XUYIXTFJGXOUHW-ZBFHGGJFSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001285827682 1321098657 /nfs/dbraw/zinc/09/86/57/1321098657.db2.gz XUYIXTFJGXOUHW-HOCLYGCPSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCN(C(=O)CCCC)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001286047274 1321203379 /nfs/dbraw/zinc/20/33/79/1321203379.db2.gz PDDWLXFWNQNCGG-UHFFFAOYSA-N -1 3 342.439 2.649 10 30 EFEEHM C#CCCCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001286104698 1321238811 /nfs/dbraw/zinc/23/88/11/1321238811.db2.gz SFAXXPFRPKYCOI-FQEVSTJZSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCC(C)(C)C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001286429773 1321361426 /nfs/dbraw/zinc/36/14/26/1321361426.db2.gz RAEXCQOZZOCQQH-HDJSIYSDSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001286491979 1321368852 /nfs/dbraw/zinc/36/88/52/1321368852.db2.gz GBDDWFPHLXYEHD-NJSLBKSFSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C[C@@H](C)[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001287344886 1321453959 /nfs/dbraw/zinc/45/39/59/1321453959.db2.gz QLRKDKRZNJHIMM-CABCVRRESA-N -1 3 344.455 2.913 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287994291 1321574644 /nfs/dbraw/zinc/57/46/44/1321574644.db2.gz HXRDIBWJQBDGBM-WBVHZDCISA-N -1 3 342.439 2.695 10 30 EFEEHM CC#CCCCC(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001288045759 1321594537 /nfs/dbraw/zinc/59/45/37/1321594537.db2.gz RNOMTUCWOLVOFL-JKSUJKDBSA-N -1 3 342.439 2.601 10 30 EFEEHM CC#CCCCC(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001288045753 1321594887 /nfs/dbraw/zinc/59/48/87/1321594887.db2.gz RNOMTUCWOLVOFL-CVEARBPZSA-N -1 3 342.439 2.601 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001293852538 1322368941 /nfs/dbraw/zinc/36/89/41/1322368941.db2.gz VMEGSCPGNXLZNB-LIRRHRJNSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CC(C)(C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001295386885 1322691402 /nfs/dbraw/zinc/69/14/02/1322691402.db2.gz UIBFFFDFZACSRG-UHFFFAOYSA-N -1 3 330.428 2.762 10 30 EFEEHM C=C[C@H](CC)CC(=O)N1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001295744931 1322766541 /nfs/dbraw/zinc/76/65/41/1322766541.db2.gz RMBJXSNJFUHGEY-CABCVRRESA-N -1 3 330.428 2.573 10 30 EFEEHM C=CC(C)(C)C(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001297917193 1323379863 /nfs/dbraw/zinc/37/98/63/1323379863.db2.gz XOYRWLGTYUEDIN-GDBMZVCRSA-N -1 3 344.455 2.961 10 30 EFEEHM O=C(c1ccc(-n2cc[nH]c2=O)cc1)N([O-])Cc1ccc(F)cc1 ZINC001306898798 1324730281 /nfs/dbraw/zinc/73/02/81/1324730281.db2.gz QUVAORDSABTRGQ-UHFFFAOYSA-N -1 3 327.315 2.749 10 30 EFEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC001309450349 1324870550 /nfs/dbraw/zinc/87/05/50/1324870550.db2.gz QQXOMVXXKAKXMA-MRVPVSSYSA-N -1 3 331.850 2.978 10 30 EFEEHM CCCCCCCN1CC(NC(=O)c2c(C)nc(C(C)C)[n-]c2=O)C1 ZINC001318051540 1328483168 /nfs/dbraw/zinc/48/31/68/1328483168.db2.gz MTIDHGNZHUFTGT-UHFFFAOYSA-N -1 3 348.491 2.998 10 30 EFEEHM C=CCCCCCN1CC2(C1)CN(C(=O)c1ccccc1[O-])CCO2 ZINC001327308471 1330456510 /nfs/dbraw/zinc/45/65/10/1330456510.db2.gz ODOAIQVJUSYPQL-UHFFFAOYSA-N -1 3 344.455 2.665 10 30 EFEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001475318231 1330588067 /nfs/dbraw/zinc/58/80/67/1330588067.db2.gz XMTAPLMDUXPBMZ-LLVKDONJSA-N -1 3 340.754 2.834 10 30 EFEEHM C[C@H]1CN(Cc2cccc(Br)c2[O-])C[C@H](C)N1CC#N ZINC001332718810 1331008358 /nfs/dbraw/zinc/00/83/58/1331008358.db2.gz VECJOGOPTIKOCH-RYUDHWBXSA-N -1 3 338.249 2.573 10 30 EFEEHM C#CCCCCC(=O)N1CCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001333553930 1331167713 /nfs/dbraw/zinc/16/77/13/1331167713.db2.gz SCJVVCPQOKSNIQ-MRXNPFEDSA-N -1 3 342.439 2.649 10 30 EFEEHM C=CCC1(C(=O)N(C)[C@H](C)CNC(=O)c2ccccc2[O-])CCC1 ZINC001334159244 1331257200 /nfs/dbraw/zinc/25/72/00/1331257200.db2.gz ROVPWQCVSYMOCA-CQSZACIVSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001334753831 1331300618 /nfs/dbraw/zinc/30/06/18/1331300618.db2.gz KGHNCQPAIADIMD-UHFFFAOYSA-N -1 3 330.428 2.907 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001336868417 1331510936 /nfs/dbraw/zinc/51/09/36/1331510936.db2.gz TWZVTMKHSWFLHC-WMLDXEAASA-N -1 3 344.455 2.961 10 30 EFEEHM CC#CCCCC(=O)N(C)[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC001336954199 1331520895 /nfs/dbraw/zinc/52/08/95/1331520895.db2.gz LCQFNVHSPHQMBD-QGZVFWFLSA-N -1 3 342.439 2.553 10 30 EFEEHM C=C1CCN(c2nnc(-c3nn(-c4ccccc4)cc3[O-])n2C)CC1 ZINC001337973731 1331625591 /nfs/dbraw/zinc/62/55/91/1331625591.db2.gz AQHWCBJOILGCOM-UHFFFAOYSA-N -1 3 336.399 2.530 10 30 EFEEHM CC#CCCCC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001338327283 1331692701 /nfs/dbraw/zinc/69/27/01/1331692701.db2.gz XSDANIAYJBMBEJ-JKSUJKDBSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338387510 1331702065 /nfs/dbraw/zinc/70/20/65/1331702065.db2.gz VVLOTPMWNKBZMY-KBPBESRZSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(F)(C2CC2)CC1 ZINC001342190578 1332315195 /nfs/dbraw/zinc/31/51/95/1332315195.db2.gz ZGEMJZGVZYXNOO-UHFFFAOYSA-N -1 3 347.394 2.933 10 30 EFEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001345994697 1332590621 /nfs/dbraw/zinc/59/06/21/1332590621.db2.gz UOSFOEDONIAREC-QWRGUYRKSA-N -1 3 335.843 2.918 10 30 EFEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@H](C)[C@@H]1CC ZINC001345994697 1332590626 /nfs/dbraw/zinc/59/06/26/1332590626.db2.gz UOSFOEDONIAREC-QWRGUYRKSA-N -1 3 335.843 2.918 10 30 EFEEHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(NC(=O)C=C)ccc1[O-] ZINC001347021689 1332712282 /nfs/dbraw/zinc/71/22/82/1332712282.db2.gz RWBBQOYWSWRTGX-HNNXBMFYSA-N -1 3 342.395 2.657 10 30 EFEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCCC#C[Si](C)(C)C)c1 ZINC001348863816 1332877550 /nfs/dbraw/zinc/87/75/50/1332877550.db2.gz MMIOOUCDWOWQEH-UHFFFAOYSA-N -1 3 330.460 2.517 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001353275559 1334060289 /nfs/dbraw/zinc/06/02/89/1334060289.db2.gz WSHSJKOMSTWBGE-OAGGEKHMSA-N -1 3 342.439 2.810 10 30 EFEEHM CC(C)[C@@H]1C[C@@H](CC(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000848134032 1334345623 /nfs/dbraw/zinc/34/56/23/1334345623.db2.gz MGCOIJXOQHFUPI-JQFCIGGWSA-N -1 3 330.428 2.800 10 30 EFEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N(CC)C1CC(C)(C)C1 ZINC001356139554 1334970036 /nfs/dbraw/zinc/97/00/36/1334970036.db2.gz LJYYIGLKAONGGD-UHFFFAOYSA-N -1 3 342.447 2.950 10 30 EFEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001356398433 1335030384 /nfs/dbraw/zinc/03/03/84/1335030384.db2.gz FLDYGDDWTHHQKE-KUHUBIRLSA-N -1 3 330.428 2.715 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)N(C)C[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001356703200 1335113478 /nfs/dbraw/zinc/11/34/78/1335113478.db2.gz GPPJKFSPMFYKHO-HOTGVXAUSA-N -1 3 344.455 2.915 10 30 EFEEHM C=CCCC1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2[O-])CC1 ZINC001356837910 1335163701 /nfs/dbraw/zinc/16/37/01/1335163701.db2.gz UDGNFVXQTVPBKN-GJZGRUSLSA-N -1 3 340.423 2.564 10 30 EFEEHM C=CCCC(=O)N1CCC2(C1)CCN(C(=O)c1ccccc1[O-])CC2 ZINC001357001053 1335238854 /nfs/dbraw/zinc/23/88/54/1335238854.db2.gz MYYXYTRKBURPMI-UHFFFAOYSA-N -1 3 342.439 2.813 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001357108176 1335281642 /nfs/dbraw/zinc/28/16/42/1335281642.db2.gz DNBNQYPVHBOTCM-HNNXBMFYSA-N -1 3 332.444 2.865 10 30 EFEEHM C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccccc2[O-])C1 ZINC001358812098 1335489113 /nfs/dbraw/zinc/48/91/13/1335489113.db2.gz RBWIFUAWCHLVSL-MGPUTAFESA-N -1 3 344.455 2.963 10 30 EFEEHM CN(CCC#N)c1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)cc1 ZINC000849231336 1335572763 /nfs/dbraw/zinc/57/27/63/1335572763.db2.gz ZXSPVUMSOLGTHN-GOSISDBHSA-N -1 3 338.411 2.737 10 30 EFEEHM N#Cc1cnccc1[N-]C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001359879755 1335929114 /nfs/dbraw/zinc/92/91/14/1335929114.db2.gz CNKPYMFDYVLINM-UHFFFAOYSA-N -1 3 336.229 2.554 10 30 EFEEHM CCn1cc(Cl)c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n1 ZINC001361659189 1336252739 /nfs/dbraw/zinc/25/27/39/1336252739.db2.gz BNWXFWVHBTYXRA-UHFFFAOYSA-N -1 3 347.806 2.717 10 30 EFEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nccnc1C(C)C ZINC001361786919 1336335127 /nfs/dbraw/zinc/33/51/27/1336335127.db2.gz XJWOCCSSNVHIND-UHFFFAOYSA-N -1 3 339.399 2.760 10 30 EFEEHM C=C(Cl)C[C@@H](NC(=O)c1cc(CC)ccc1[O-])C(=O)OCC ZINC001363597326 1336945637 /nfs/dbraw/zinc/94/56/37/1336945637.db2.gz PSRSWSAFENUXEE-CYBMUJFWSA-N -1 3 325.792 2.759 10 30 EFEEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)n[n-]2)cc(C)c1C#N ZINC001363628302 1336960878 /nfs/dbraw/zinc/96/08/78/1336960878.db2.gz MZGWGGFGYOFBML-UHFFFAOYSA-N -1 3 326.356 2.716 10 30 EFEEHM Cc1cc(C(=O)Nc2cc(C(=O)OC(C)C)[n-]n2)cc(C)c1C#N ZINC001363628302 1336960880 /nfs/dbraw/zinc/96/08/80/1336960880.db2.gz MZGWGGFGYOFBML-UHFFFAOYSA-N -1 3 326.356 2.716 10 30 EFEEHM N#Cc1cscc1C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001363884248 1337099285 /nfs/dbraw/zinc/09/92/85/1337099285.db2.gz INLQOWULQPKNCD-UMSPYCQHSA-N -1 3 328.397 2.572 10 30 EFEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC001475645977 1397444784 /nfs/dbraw/zinc/44/47/84/1397444784.db2.gz GVJBSAGEYLKMNR-NRFANRHFSA-N -1 3 344.502 2.970 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC001420169895 1376529348 /nfs/dbraw/zinc/52/93/48/1376529348.db2.gz IJRZZRZZYKCEJX-UHFFFAOYSA-N -1 3 340.383 2.645 10 30 EFEEHM Cc1cc(C#N)cc(C)c1CC(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC001420169895 1376529349 /nfs/dbraw/zinc/52/93/49/1376529349.db2.gz IJRZZRZZYKCEJX-UHFFFAOYSA-N -1 3 340.383 2.645 10 30 EFEEHM C=C(C)CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC001449956463 1392457334 /nfs/dbraw/zinc/45/73/34/1392457334.db2.gz ZLFRKJVYUYIDTD-UHFFFAOYSA-N -1 3 335.201 2.987 10 30 EFEEHM CC(C)(C)c1ccc(C(F)(F)C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC001450274212 1392556206 /nfs/dbraw/zinc/55/62/06/1392556206.db2.gz VZMPTVWFEMGZBH-CYBMUJFWSA-N -1 3 340.370 2.572 10 30 EFEEHM C=C(Cl)C[C@H](NC(=O)c1ccc(CC)cc1[O-])C(=O)OCC ZINC001454713614 1393094704 /nfs/dbraw/zinc/09/47/04/1393094704.db2.gz OQUYXAXSZSYXTF-ZDUSSCGKSA-N -1 3 325.792 2.759 10 30 EFEEHM Cc1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc(C)c1C#N ZINC001456396014 1394682293 /nfs/dbraw/zinc/68/22/93/1394682293.db2.gz LGQWYCIGCJCKMV-VIFPVBQESA-N -1 3 337.305 2.803 10 30 EFEEHM O=C(CC1CCCC1)NCC(=O)N([O-])CCCCc1ccccc1 ZINC001457995918 1395394989 /nfs/dbraw/zinc/39/49/89/1395394989.db2.gz XDCOGFYUZDSMAY-UHFFFAOYSA-N -1 3 332.444 2.924 10 30 EFEEHM CC(C)C[C@@H](C)CC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001458002096 1395395229 /nfs/dbraw/zinc/39/52/29/1395395229.db2.gz KNKBCBNUEHPYHU-CQSZACIVSA-N -1 3 346.427 2.963 10 30 EFEEHM COCc1nn(C)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001458018016 1395396690 /nfs/dbraw/zinc/39/66/90/1395396690.db2.gz SJDDPDQNKDRGPS-UHFFFAOYSA-N -1 3 325.368 2.751 10 30 EFEEHM C[C@@H](C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O)C(C)(C)C ZINC001458004328 1395396792 /nfs/dbraw/zinc/39/67/92/1395396792.db2.gz RWXZKIHJGPTJLK-LBPRGKRZSA-N -1 3 332.400 2.573 10 30 EFEEHM CCc1nc(C(=O)[N-]c2snc(C)c2C#N)nn1-c1ccccc1 ZINC001459426543 1395855171 /nfs/dbraw/zinc/85/51/71/1395855171.db2.gz UOEKQNSDEXZUAV-UHFFFAOYSA-N -1 3 338.396 2.719 10 30 EFEEHM C=C(Cl)C[C@H]([N-]S(=O)(=O)C1CCC(C)CC1)C(=O)OCC ZINC001464252207 1396560622 /nfs/dbraw/zinc/56/06/22/1396560622.db2.gz ACYMYKRYZDKWKT-GDKBPFBDSA-N -1 3 337.869 2.559 10 30 EFEEHM C#CCOc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)cc1 ZINC001472041820 1397238006 /nfs/dbraw/zinc/23/80/06/1397238006.db2.gz TWDMSXUHIHHBGT-UHFFFAOYSA-N -1 3 331.318 2.655 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494286122 1399257932 /nfs/dbraw/zinc/25/79/32/1399257932.db2.gz QFUWJAQIQZYWGO-HNNXBMFYSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001494286125 1399258310 /nfs/dbraw/zinc/25/83/10/1399258310.db2.gz QFUWJAQIQZYWGO-OAHLLOKOSA-N -1 3 344.455 2.963 10 30 EFEEHM C=CCC1(C(=O)N2CCC[C@H]2CNC(=O)c2ccccc2[O-])CCC1 ZINC001497026858 1401138922 /nfs/dbraw/zinc/13/89/22/1401138922.db2.gz ITJXCRDDUSWBBQ-HNNXBMFYSA-N -1 3 342.439 2.859 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)N(CCC)CCNC(=O)c1ccccc1[O-] ZINC001497204253 1401217954 /nfs/dbraw/zinc/21/79/54/1401217954.db2.gz NSRRPOWRZWRJPA-OAHLLOKOSA-N -1 3 332.444 2.963 10 30 EFEEHM C=CCC1(C(=O)NC[C@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001502741064 1404318488 /nfs/dbraw/zinc/31/84/88/1404318488.db2.gz MWEURPOTEYHRKL-AWEZNQCLSA-N -1 3 330.428 2.763 10 30 EFEEHM C=C(C)C[C@@H](C)C(=O)NCC1CC(NC(=O)c2ccccc2[O-])C1 ZINC001508339649 1407429931 /nfs/dbraw/zinc/42/99/31/1407429931.db2.gz FFHPMDKLCJFMQH-WLYUNCDWSA-N -1 3 330.428 2.619 10 30 EFEEHM C=C(C)C(C)(C)C(=O)NC[C@H](C1CC1)N(C)C(=O)c1ccccc1[O-] ZINC001510325635 1412623379 /nfs/dbraw/zinc/62/33/79/1412623379.db2.gz IQUBUMWYAQDQMK-MRXNPFEDSA-N -1 3 344.455 2.961 10 30 EFEEHM C=CCCCC(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001511441700 1413048451 /nfs/dbraw/zinc/04/84/51/1413048451.db2.gz NUPVEECSVSRCFK-HUUCEWRRSA-N -1 3 330.428 2.763 10 30 EFEEHM C=CCCCC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001512189025 1413319199 /nfs/dbraw/zinc/31/91/99/1413319199.db2.gz NEZRRUOBGWJHLW-CVEARBPZSA-N -1 3 344.455 2.963 10 30 EFEEHM CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001556082215 1415052121 /nfs/dbraw/zinc/05/21/21/1415052121.db2.gz FNYQJPBKWSXSTN-UHFFFAOYSA-N -1 3 347.367 2.581 10 30 EFEEHM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)N[C@H]1CCN([O-])C1=O ZINC001556750287 1415086429 /nfs/dbraw/zinc/08/64/29/1415086429.db2.gz FUNSBJDIMZSKCB-HNNXBMFYSA-N -1 3 348.443 2.558 10 30 EFEEHM CCCCCCN([O-])C(=O)c1nc(S(C)(=O)=O)ccc1Cl ZINC001559034880 1415219607 /nfs/dbraw/zinc/21/96/07/1415219607.db2.gz SYTJPYRZKYKCFC-UHFFFAOYSA-N -1 3 334.825 2.550 10 30 EFEEHM O=C(CNC(=O)c1cccc(F)c1)N([O-])Cc1ccccc1Cl ZINC001559032768 1415219657 /nfs/dbraw/zinc/21/96/57/1415219657.db2.gz HWGNSIVCGFOTKI-UHFFFAOYSA-N -1 3 336.750 2.627 10 30 EFEEHM CCCCN([O-])C(=O)[C@](N)(c1ccccc1OCC)C(F)(F)F ZINC001559035543 1415219665 /nfs/dbraw/zinc/21/96/65/1415219665.db2.gz VNSRTESZSQADLR-CQSZACIVSA-N -1 3 334.338 2.820 10 30 EFEEHM O=C(c1ccc(S(=O)(=O)C2CC2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001559037166 1415219711 /nfs/dbraw/zinc/21/97/11/1415219711.db2.gz LWHJMQAXBVYACR-UHFFFAOYSA-N -1 3 349.383 2.793 10 30 EFEEHM O=C([C@@H]1COCCN1C1CCCC1)N([O-])CCCCc1ccccc1 ZINC001559034034 1415220090 /nfs/dbraw/zinc/22/00/90/1415220090.db2.gz KBLNPWWOJWLMCQ-IBGZPJMESA-N -1 3 346.471 2.871 10 30 EFEEHM C=CCCC[C@H]([N-]S(=O)(=O)Cc1cc(C)cc(C)c1)C(=O)OC ZINC001561929431 1415329833 /nfs/dbraw/zinc/32/98/33/1415329833.db2.gz VCXZJQAUBPUTMF-INIZCTEOSA-N -1 3 339.457 2.621 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001571754311 1415383381 /nfs/dbraw/zinc/38/33/81/1415383381.db2.gz KBSLYHAPFRUYJZ-LSDHHAIUSA-N -1 3 330.428 2.599 10 30 EFEEHM C#CCCCCCC(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccccc1[O-] ZINC001571754309 1415383670 /nfs/dbraw/zinc/38/36/70/1415383670.db2.gz KBSLYHAPFRUYJZ-GJZGRUSLSA-N -1 3 330.428 2.599 10 30 EFEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001645928567 1416585446 /nfs/dbraw/zinc/58/54/46/1416585446.db2.gz IHMWLPRHUBAMFD-IEBDPFPHSA-N -1 3 346.786 2.924 10 30 EFEEHM CC(C)(C)C#CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001646347458 1416651213 /nfs/dbraw/zinc/65/12/13/1416651213.db2.gz IRFYRMITGFHQBY-UHFFFAOYSA-N -1 3 325.368 2.755 10 30 EFEEHM CC(C)(C)C#CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001646347458 1416651215 /nfs/dbraw/zinc/65/12/15/1416651215.db2.gz IRFYRMITGFHQBY-UHFFFAOYSA-N -1 3 325.368 2.755 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001687655822 1416851308 /nfs/dbraw/zinc/85/13/08/1416851308.db2.gz CDXLQFHAEOFPOM-RDJZCZTQSA-N -1 3 342.439 2.695 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)C[C@H]2CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001688557869 1416987969 /nfs/dbraw/zinc/98/79/69/1416987969.db2.gz KXDKNATXEFJFJS-OAHLLOKOSA-N -1 3 342.439 2.669 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(C)CCN(C)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001698994335 1417362441 /nfs/dbraw/zinc/36/24/41/1417362441.db2.gz KSDRAOOHDLIAGM-LJQANCHMSA-N -1 3 346.475 2.552 10 30 EFEEHM C=C(C)CN[C@@H](CNC(=O)c1ncccc1[O-])c1ccccc1CC ZINC001699930901 1417511686 /nfs/dbraw/zinc/51/16/86/1417511686.db2.gz AMLUUPRWRISSDI-KRWDZBQOSA-N -1 3 339.439 2.986 10 30 EFEEHM C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001701722935 1417728581 /nfs/dbraw/zinc/72/85/81/1417728581.db2.gz NXRPEUBSIABEAN-ZFWWWQNUSA-N -1 3 330.428 2.714 10 30 EFEEHM C=CCC(CC=C)C(=O)NC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001704346380 1417914004 /nfs/dbraw/zinc/91/40/04/1417914004.db2.gz JFPADGMGIGVQRY-INIZCTEOSA-N -1 3 342.439 2.881 10 30 EFEEHM C=C[C@](C)(CC)C(=O)N(CCNC(=O)c1ccccc1[O-])C1CC1 ZINC001704392523 1417922455 /nfs/dbraw/zinc/92/24/55/1417922455.db2.gz SDCCFMZVIRYRTF-LJQANCHMSA-N -1 3 330.428 2.715 10 30 EFEEHM C=CCC(C)(C)C(=O)N1CC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001704475210 1417956541 /nfs/dbraw/zinc/95/65/41/1417956541.db2.gz IUGNVSLZKDRTFY-OAHLLOKOSA-N -1 3 344.455 2.915 10 30 EFEEHM C=C1CC(C)(C(=O)N(C)C[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC001718041884 1419675906 /nfs/dbraw/zinc/67/59/06/1419675906.db2.gz BYJSDNBMLWVWAL-OAHLLOKOSA-N -1 3 342.439 2.812 10 30 EFEEHM C=C[C@@H](CC)CC(=O)NCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001720413451 1422922195 /nfs/dbraw/zinc/92/21/95/1422922195.db2.gz GLQGLHMJBURNIA-HNNXBMFYSA-N -1 3 344.455 2.963 10 30 EFEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001720425497 1422930934 /nfs/dbraw/zinc/93/09/34/1422930934.db2.gz SMGGBORSQYEIAR-AWEZNQCLSA-N -1 3 330.428 2.715 10 30 EFEEHM CC(C)C#CC(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720573586 1423038722 /nfs/dbraw/zinc/03/87/22/1423038722.db2.gz SLCSPLKLHHLWBY-WBVHZDCISA-N -1 3 342.439 2.551 10 30 EFEEHM C#CCCCC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001721636409 1423887425 /nfs/dbraw/zinc/88/74/25/1423887425.db2.gz ILEKHMUHPKWFKO-MRXNPFEDSA-N -1 3 342.439 2.697 10 30 EFEEHM C=CCCCC(=O)N1CC[C@]2(CCN(C(=O)c3ccccc3[O-])C2)C1 ZINC001722120917 1424195459 /nfs/dbraw/zinc/19/54/59/1424195459.db2.gz SESBAFPAUNGRLC-FQEVSTJZSA-N -1 3 342.439 2.813 10 30 EFEEHM C=CC(C)(C)CC(=O)N1CC[C@@](C)(NC(=O)c2ccccc2[O-])C1 ZINC001722185186 1424244618 /nfs/dbraw/zinc/24/46/18/1424244618.db2.gz YTGJKHQRRLEKMD-LJQANCHMSA-N -1 3 330.428 2.715 10 30 EFEEHM C#CCCCCCC(=O)NC1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001725882100 1425940556 /nfs/dbraw/zinc/94/05/56/1425940556.db2.gz WXDHRSYTEWUCCY-UHFFFAOYSA-N -1 3 342.439 2.601 10 30 EFEEHM C=CCC(CC=C)C(=O)N(C)[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001725950405 1425991357 /nfs/dbraw/zinc/99/13/57/1425991357.db2.gz GFMJNQIFYWKQDY-AWEZNQCLSA-N -1 3 330.428 2.737 10 30 EFEEHM C=CC(C)(C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000891272599 714194912 /nfs/dbraw/zinc/19/49/12/714194912.db2.gz PXJGJIMPFRRULH-UHFFFAOYSA-N -1 3 342.436 2.597 10 30 EFEEHM C=C1CC(C)(c2noc(CCNC(=O)c3ccc(C)cc3[O-])n2)C1 ZINC000896914809 723872369 /nfs/dbraw/zinc/87/23/69/723872369.db2.gz AAUBQRRIIWJUGK-UHFFFAOYSA-N -1 3 327.384 2.664 10 30 EFEEHM NC(=O)[C@@H]1CCC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000130107913 725582567 /nfs/dbraw/zinc/58/25/67/725582567.db2.gz VBVIKEGVLDRGSL-PCWUWGIISA-N -1 3 325.206 2.618 10 30 EFEEHM C/C=C\C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000907400331 726928594 /nfs/dbraw/zinc/92/85/94/726928594.db2.gz MJRYGXBDCULQAY-MFBWXBCUSA-N -1 3 336.338 2.664 10 30 EFEEHM COc1ccc2ccc([O-])c(CN3CCN(C4CC4)[C@H](C#N)C3)c2c1 ZINC000732666060 727182257 /nfs/dbraw/zinc/18/22/57/727182257.db2.gz FVHDCBBGAWQEBB-MRXNPFEDSA-N -1 3 337.423 2.726 10 30 EFEEHM C=C(C)C[C@@H](NC(=O)NC[C@H](c1ccccc1)N1CCCC1)C(=O)[O-] ZINC000908751457 727256750 /nfs/dbraw/zinc/25/67/50/727256750.db2.gz MCSHUGVAQUZRCG-IAGOWNOFSA-N -1 3 345.443 2.542 10 30 EFEEHM C=CCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000909274139 727352031 /nfs/dbraw/zinc/35/20/31/727352031.db2.gz VQUIYVATHDJZSD-AWEZNQCLSA-N -1 3 336.338 2.664 10 30 EFEEHM C=CCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)C(=O)OCC ZINC000909274141 727352046 /nfs/dbraw/zinc/35/20/46/727352046.db2.gz VQUIYVATHDJZSD-CQSZACIVSA-N -1 3 336.338 2.664 10 30 EFEEHM C#CCN1CCC(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)CC1 ZINC000910249381 727423776 /nfs/dbraw/zinc/42/37/76/727423776.db2.gz UVOBROFXLPSDKR-UHFFFAOYSA-N -1 3 336.391 2.822 10 30 EFEEHM N#Cc1ccccc1C(F)(F)C(=O)[N-]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000927561047 727518532 /nfs/dbraw/zinc/51/85/32/727518532.db2.gz BXSWFAFQGZEHGH-PWSUYJOCSA-N -1 3 348.271 2.876 10 30 EFEEHM C#C[C@H]1CCCN(C(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)C1 ZINC000912046476 727645782 /nfs/dbraw/zinc/64/57/82/727645782.db2.gz GVKMTGTXKMMGCQ-NSHDSACASA-N -1 3 335.429 2.976 10 30 EFEEHM COc1cccc([O-])c1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 ZINC000912927866 727759725 /nfs/dbraw/zinc/75/97/25/727759725.db2.gz VJERGTAKEKHDMV-UHFFFAOYSA-N -1 3 337.379 2.687 10 30 EFEEHM N#Cc1cc(CS(=O)(=O)[N-]CC(=O)CC2CCCCC2)cs1 ZINC000919218424 728987665 /nfs/dbraw/zinc/98/76/65/728987665.db2.gz IYMOCWIVBDNUNP-UHFFFAOYSA-N -1 3 340.470 2.579 10 30 EFEEHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)c1ccccc1 ZINC000920555001 729199549 /nfs/dbraw/zinc/19/95/49/729199549.db2.gz PUULGZKNUITPPU-OAHLLOKOSA-N -1 3 334.441 2.566 10 30 EFEEHM CC(C)(Cc1ccc(C#N)cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000921449240 729460115 /nfs/dbraw/zinc/46/01/15/729460115.db2.gz DFJIGAHQZZEHEH-UHFFFAOYSA-N -1 3 349.843 2.906 10 30 EFEEHM