smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 ZINC000026476640 202143671 /nfs/dbraw/zinc/14/36/71/202143671.db2.gz KAZQJJFKRSIYAQ-UHFFFAOYSA-N -1 1 328.752 3.194 10 30 EGEEMM O=S(=O)(N=C([O-])Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000026476640 202143674 /nfs/dbraw/zinc/14/36/74/202143674.db2.gz KAZQJJFKRSIYAQ-UHFFFAOYSA-N -1 1 328.752 3.194 10 30 EGEEMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000105388445 162054356 /nfs/dbraw/zinc/05/43/56/162054356.db2.gz NGZYRUALIQJISW-UHFFFAOYSA-N -1 1 346.799 3.197 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)c1 ZINC000616700796 460598473 /nfs/dbraw/zinc/59/84/73/460598473.db2.gz ZYIFBCNGNNUOEG-CQSZACIVSA-N -1 1 338.260 3.436 10 30 EGEEMM CC[C@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000188615409 456095664 /nfs/dbraw/zinc/09/56/64/456095664.db2.gz ZAWOZMQGZVRETA-HNNXBMFYSA-N -1 1 325.324 3.053 10 30 EGEEMM N#CC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCCC1 ZINC000594883467 459165455 /nfs/dbraw/zinc/16/54/55/459165455.db2.gz CPYAQDIMVJGDIG-UHFFFAOYSA-N -1 1 330.812 3.231 10 30 EGEEMM CC1(C)[C@H](Oc2ccccc2)C[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589527154 460100830 /nfs/dbraw/zinc/10/08/30/460100830.db2.gz HFMSZAMMFRCOFX-ZWKOTPCHSA-N -1 1 336.391 3.240 10 30 EGEEMM COc1cc(C(=O)N[C@@H](C)c2cccc(C#N)c2)cc(Cl)c1[O-] ZINC000615430321 460327303 /nfs/dbraw/zinc/32/73/03/460327303.db2.gz ORBTWNOBBHWPSS-JTQLQIEISA-N -1 1 330.771 3.417 10 30 EGEEMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000732214694 575245846 /nfs/dbraw/zinc/24/58/46/575245846.db2.gz PFJKJUFJCVRYAA-UHFFFAOYSA-N -1 1 339.376 3.025 10 30 EGEEMM Cc1cn2c(/C=C3\Cc4c(ccc([O-])c4O)C3=O)c(C)nc2s1 ZINC000584908163 1298024255 /nfs/dbraw/zinc/02/42/55/1298024255.db2.gz UJADMRBCXQACPC-UXBLZVDNSA-N -1 1 326.377 3.246 10 30 EGEEMM C=C1CC(C)(c2noc(Cc3c(C)nc(-c4cccnc4)[n-]c3=O)n2)C1 ZINC000896913840 1310082926 /nfs/dbraw/zinc/08/29/26/1310082926.db2.gz LXMAMUVWUPMYKH-UHFFFAOYSA-N -1 1 349.394 3.134 10 30 EGEEMM Cc1cc(Br)c([O-])c(CN[C@@H](CC#N)C(F)(F)F)c1 ZINC000922648122 1322579548 /nfs/dbraw/zinc/57/95/48/1322579548.db2.gz WLSFVQWVDWUICR-JTQLQIEISA-N -1 1 337.139 3.397 10 30 EGEEMM CC[C@@H](Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1cccc(C#N)c1[O-] ZINC000926531937 1325588069 /nfs/dbraw/zinc/58/80/69/1325588069.db2.gz JDMLKRZKUYQZAN-AEFFLSMTSA-N -1 1 337.379 3.052 10 30 EGEEMM O=C(c1nnc2ccccc2n1)N([O-])Cc1cccc2ccccc21 ZINC001184340785 1387433340 /nfs/dbraw/zinc/43/33/40/1387433340.db2.gz RFBPKJKFDHOMRT-UHFFFAOYSA-N -1 1 330.347 3.210 10 30 EGEEMM C=CCN(C)c1nnc(-c2ccc(Cl)cc2[O-])n1C[C@@H]1CCCO1 ZINC001122790681 1372321214 /nfs/dbraw/zinc/32/12/14/1372321214.db2.gz XLKRSCCBTLRDFX-ZDUSSCGKSA-N -1 1 348.834 3.105 10 30 EGEEMM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(F)cc1 ZINC001159132492 1381636923 /nfs/dbraw/zinc/63/69/23/1381636923.db2.gz LTXGXRFTRCQGLE-INIZCTEOSA-N -1 1 328.293 3.280 10 30 EGEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCC[C@@H]1C1CCCCC1 ZINC001339041186 1389872382 /nfs/dbraw/zinc/87/23/82/1389872382.db2.gz WCQJFTRNUWDDQK-OAHLLOKOSA-N -1 1 342.447 3.109 10 30 EGEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N1CCCC[C@H]1CC1CCC1 ZINC001340537701 1390308636 /nfs/dbraw/zinc/30/86/36/1390308636.db2.gz FFQMQXZSLGNCEA-AWEZNQCLSA-N -1 1 342.447 3.109 10 30 EGEEMM N#Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1[O-] ZINC000190264778 153126058 /nfs/dbraw/zinc/12/60/58/153126058.db2.gz SWNRXTKCDJSCKW-UHFFFAOYSA-N -1 1 335.338 3.083 10 30 EGEEMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(F)c(C#N)c3)cc2s1 ZINC000427193075 268080131 /nfs/dbraw/zinc/08/01/31/268080131.db2.gz QUWQBELSYHEFIS-UHFFFAOYSA-N -1 1 347.396 3.416 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1Cl ZINC000193482938 268207715 /nfs/dbraw/zinc/20/77/15/268207715.db2.gz FUDPHLPVSAFOHK-UHFFFAOYSA-N -1 1 331.784 3.494 10 30 EGEEMM N#CCCN(CC1CCC1)C(=O)c1ccc(Br)c([O-])c1 ZINC000095979048 454248443 /nfs/dbraw/zinc/24/84/43/454248443.db2.gz WMQQXGMKRMMUQB-UHFFFAOYSA-N -1 1 337.217 3.311 10 30 EGEEMM CC(=O)C(=N[N-]c1cc(Cl)ccc1Cl)C(=O)C(F)(F)F ZINC000252620712 455824006 /nfs/dbraw/zinc/82/40/06/455824006.db2.gz MKGQRRXMQANXOD-UHFFFAOYSA-N -1 1 327.089 3.482 10 30 EGEEMM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)cc1F ZINC000357464679 457545836 /nfs/dbraw/zinc/54/58/36/457545836.db2.gz FXIPIROSOYJTPZ-UHFFFAOYSA-N -1 1 333.369 3.108 10 30 EGEEMM C=CCCc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000443421018 457763903 /nfs/dbraw/zinc/76/39/03/457763903.db2.gz VUDBFLJSOIDRGX-UHFFFAOYSA-N -1 1 345.420 3.393 10 30 EGEEMM COc1cc(C#N)ccc1OCCSc1nc(C2CC2)cc(=O)[n-]1 ZINC000436259694 458278090 /nfs/dbraw/zinc/27/80/90/458278090.db2.gz KZDKLRRZPWKPID-UHFFFAOYSA-N -1 1 343.408 3.111 10 30 EGEEMM Cc1nsc([N-]C(=O)c2oc(COC(C)(C)C)nc2C)c1C#N ZINC000582183930 459323618 /nfs/dbraw/zinc/32/36/18/459323618.db2.gz GBRMNZCHEATRQS-UHFFFAOYSA-N -1 1 334.401 3.187 10 30 EGEEMM COc1cccc([C@]2(C)CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000598225410 460212396 /nfs/dbraw/zinc/21/23/96/460212396.db2.gz OHOZVJVYBWIVMT-HXUWFJFHSA-N -1 1 336.391 3.076 10 30 EGEEMM COc1cccc([C@@]2(C)CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000598225374 460212853 /nfs/dbraw/zinc/21/28/53/460212853.db2.gz NLXGDQAKOUGFNU-FQEVSTJZSA-N -1 1 336.391 3.076 10 30 EGEEMM C=CCNc1nnc(SC[C@@H](C)C(=O)c2ccc([O-])cc2)s1 ZINC000915551149 1319498525 /nfs/dbraw/zinc/49/85/25/1319498525.db2.gz QAMAONZTRMVRSK-SNVBAGLBSA-N -1 1 335.454 3.453 10 30 EGEEMM CC[C@H](Nc1ccc(COCCO)cc1)c1cccc(C#N)c1[O-] ZINC000926617556 1327636638 /nfs/dbraw/zinc/63/66/38/1327636638.db2.gz WCNVJYWZEWVZHJ-SFHVURJKSA-N -1 1 326.396 3.336 10 30 EGEEMM COCCOc1cc(N[C@@H](C)c2cccc(C#N)c2[O-])ccc1OC ZINC000866315831 1330095676 /nfs/dbraw/zinc/09/56/76/1330095676.db2.gz MHABYYNMUSMJGC-ZDUSSCGKSA-N -1 1 342.395 3.471 10 30 EGEEMM Cc1c(N[C@H](C)c2cccc(C#N)c2[O-])cccc1N1CCNC1=O ZINC000866350055 1330100698 /nfs/dbraw/zinc/10/06/98/1330100698.db2.gz TUSBHSYQXQKISF-CYBMUJFWSA-N -1 1 336.395 3.275 10 30 EGEEMM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)cnc2Cl)CCCCC1 ZINC000867523010 1330207904 /nfs/dbraw/zinc/20/79/04/1330207904.db2.gz QKGXPAIEBXVHOJ-UHFFFAOYSA-N -1 1 348.255 3.141 10 30 EGEEMM C=C(C)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001298203270 1383381039 /nfs/dbraw/zinc/38/10/39/1383381039.db2.gz FVXBYBKZYXJJGU-UHFFFAOYSA-N -1 1 344.436 3.183 10 30 EGEEMM N#Cc1ccsc1[N-]C(=O)c1nnn(-c2ccccc2)c1C(F)F ZINC001348027555 1391162576 /nfs/dbraw/zinc/16/25/76/1391162576.db2.gz STKBECYASUMKHH-UHFFFAOYSA-N -1 1 345.334 3.390 10 30 EGEEMM Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])ccc1C#N ZINC000442926258 268073433 /nfs/dbraw/zinc/07/34/33/268073433.db2.gz VMEFSSJJDLZPOY-UHFFFAOYSA-N -1 1 337.257 3.118 10 30 EGEEMM N#Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1[O-] ZINC000189974047 455263740 /nfs/dbraw/zinc/26/37/40/455263740.db2.gz QFLALWWETIYXOB-UHFFFAOYSA-N -1 1 336.269 3.092 10 30 EGEEMM N#CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 ZINC000077704700 454144836 /nfs/dbraw/zinc/14/48/36/454144836.db2.gz AUAOZTMIUFIGEF-UHFFFAOYSA-N -1 1 331.784 3.079 10 30 EGEEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC[C@]1(O)CCCC(C)(C)C1 ZINC000331254743 457155110 /nfs/dbraw/zinc/15/51/10/457155110.db2.gz UICBNBPIHXQFSZ-IBGZPJMESA-N -1 1 349.475 3.424 10 30 EGEEMM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ncc(C)cc1[O-] ZINC000342542850 457358490 /nfs/dbraw/zinc/35/84/90/457358490.db2.gz PTCBPFMWJBDBFS-UHFFFAOYSA-N -1 1 328.416 3.092 10 30 EGEEMM COc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)cc(Cl)c1[O-] ZINC000357305956 457434250 /nfs/dbraw/zinc/43/42/50/457434250.db2.gz OIXWDBJZICKVII-UHFFFAOYSA-N -1 1 342.782 3.345 10 30 EGEEMM Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]nc1C(C)C ZINC000592385105 459587322 /nfs/dbraw/zinc/58/73/22/459587322.db2.gz RFUMYCJMGTYULR-UHFFFAOYSA-N -1 1 338.820 3.167 10 30 EGEEMM C#CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2C)c1 ZINC000730996480 575042922 /nfs/dbraw/zinc/04/29/22/575042922.db2.gz SKAYXYNIQJYOFX-UHFFFAOYSA-N -1 1 335.812 3.461 10 30 EGEEMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000186406947 1295323000 /nfs/dbraw/zinc/32/30/00/1295323000.db2.gz JRIVOKYGSSHGAL-UHFFFAOYSA-N -1 1 328.180 3.061 10 30 EGEEMM N#CCCCCCC(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870162406 1295712376 /nfs/dbraw/zinc/71/23/76/1295712376.db2.gz LPRIBACWTXKEPL-UHFFFAOYSA-N -1 1 349.862 3.164 10 30 EGEEMM C=C1CC(C)(C(=O)N2CCN(Cc3ccc([O-])c(Cl)c3)CC2)C1 ZINC000870163382 1295713762 /nfs/dbraw/zinc/71/37/62/1295713762.db2.gz BTBOOCNMBYGXSV-UHFFFAOYSA-N -1 1 334.847 3.046 10 30 EGEEMM COc1ccc(N[C@@H](C)c2cccc(C#N)c2[O-])c(OC)c1OC ZINC000866323771 1330096385 /nfs/dbraw/zinc/09/63/85/1330096385.db2.gz RVPYUQWOWOJSOR-NSHDSACASA-N -1 1 328.368 3.463 10 30 EGEEMM C=C[C@@H](OC(=O)Cc1c(C)nc2cc(=O)[n-]n2c1C)c1ccccc1 ZINC001131134629 1373648817 /nfs/dbraw/zinc/64/88/17/1373648817.db2.gz NGMIWMZZCGRINA-MRXNPFEDSA-N -1 1 337.379 3.065 10 30 EGEEMM N#C[C@@H](NC(=O)c1cc(Br)ccc1[O-])c1ccc(F)cc1 ZINC001141304264 1378296693 /nfs/dbraw/zinc/29/66/93/1378296693.db2.gz REPJRFUKUBQIRJ-CYBMUJFWSA-N -1 1 349.159 3.288 10 30 EGEEMM C=CCC[C@@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)OCC ZINC001298020922 1383336200 /nfs/dbraw/zinc/33/62/00/1383336200.db2.gz OITKORAJGPLZMA-MRXNPFEDSA-N -1 1 327.380 3.173 10 30 EGEEMM C=C(C)Cn1c(-c2c[n-][nH]c2=O)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001342223653 1390587563 /nfs/dbraw/zinc/58/75/63/1390587563.db2.gz AUAFPTZCPAQBNF-UHFFFAOYSA-N -1 1 342.447 3.133 10 30 EGEEMM C=CCC[C@@H]1CCCN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001351334200 1391628617 /nfs/dbraw/zinc/62/86/17/1391628617.db2.gz RTVVANQEANCREY-GFCCVEGCSA-N -1 1 347.854 3.062 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c(Cl)c1 ZINC000336861168 154219037 /nfs/dbraw/zinc/21/90/37/154219037.db2.gz YAYSVSFUWQLUHQ-UHFFFAOYSA-N -1 1 346.717 3.430 10 30 EGEEMM N#Cc1cc(F)c(C(=O)[N-]c2cc(-c3ccccc3F)on2)c(F)c1 ZINC000448493380 269952083 /nfs/dbraw/zinc/95/20/83/269952083.db2.gz VPHDSRZOMUOPRA-UHFFFAOYSA-N -1 1 343.264 3.305 10 30 EGEEMM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)c(Cl)c2)ccc1F ZINC000190999946 455422733 /nfs/dbraw/zinc/42/27/33/455422733.db2.gz GAWOODCTGDALNJ-UHFFFAOYSA-N -1 1 340.763 3.160 10 30 EGEEMM COc1cc(C(=O)N(CCC#N)Cc2ccco2)cc(Cl)c1[O-] ZINC000153703849 454823032 /nfs/dbraw/zinc/82/30/32/454823032.db2.gz QZQXSJOFJGGYDG-UHFFFAOYSA-N -1 1 334.759 3.203 10 30 EGEEMM N#C[C@H](c1ccccc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000350115358 457166220 /nfs/dbraw/zinc/16/62/20/457166220.db2.gz AJMSNGAMGDQHIF-QGZVFWFLSA-N -1 1 341.842 3.428 10 30 EGEEMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(CC#N)cc3)cc2s1 ZINC000427124489 457947348 /nfs/dbraw/zinc/94/73/48/457947348.db2.gz SDWHMXVIAQFKHF-UHFFFAOYSA-N -1 1 343.433 3.472 10 30 EGEEMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000593274951 459826792 /nfs/dbraw/zinc/82/67/92/459826792.db2.gz AEBAWHNITQASDK-UHFFFAOYSA-N -1 1 332.429 3.135 10 30 EGEEMM CC(C)c1n[n-]c(=NC2CCN(Cc3cccc(C#N)c3)CC2)s1 ZINC000593515696 459913004 /nfs/dbraw/zinc/91/30/04/459913004.db2.gz QZRCZUXYPSGIIV-UHFFFAOYSA-N -1 1 341.484 3.032 10 30 EGEEMM N#Cc1sccc1S(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000598628916 459969270 /nfs/dbraw/zinc/96/92/70/459969270.db2.gz UECAQXIDZSKHBE-LBPRGKRZSA-N -1 1 334.413 3.112 10 30 EGEEMM Cn1cc(-c2cc(F)ccc2NC(=O)c2cc([O-])cc(C#N)c2)cn1 ZINC000619451086 460360344 /nfs/dbraw/zinc/36/03/44/460360344.db2.gz JUQBDWPEVOENJZ-UHFFFAOYSA-N -1 1 336.326 3.056 10 30 EGEEMM N#Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c(F)c1 ZINC000611453424 460369413 /nfs/dbraw/zinc/36/94/13/460369413.db2.gz GTZAHPYHHVLETE-UHFFFAOYSA-N -1 1 338.260 3.352 10 30 EGEEMM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc(-c2ccoc2)[nH]n1 ZINC000613287239 460896979 /nfs/dbraw/zinc/89/69/79/460896979.db2.gz BQGGKQQSPOLBLC-LBPRGKRZSA-N -1 1 331.335 3.046 10 30 EGEEMM C=C(C)C(C)(C)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163411 1295713720 /nfs/dbraw/zinc/71/37/20/1295713720.db2.gz DISUDSUHIDGPPG-UHFFFAOYSA-N -1 1 336.863 3.292 10 30 EGEEMM C#C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000890649719 1304848999 /nfs/dbraw/zinc/84/89/99/1304848999.db2.gz HDDFVGUEOXEDKJ-CQSZACIVSA-N -1 1 344.411 3.367 10 30 EGEEMM CCc1cc(Cl)cnc1[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000863450396 1329554567 /nfs/dbraw/zinc/55/45/67/1329554567.db2.gz JSMPOUWTQXJHTE-UHFFFAOYSA-N -1 1 349.843 3.305 10 30 EGEEMM COCCOc1ccc(C#N)cc1N[C@@H](C)c1cccc(C#N)c1[O-] ZINC000866338130 1330098527 /nfs/dbraw/zinc/09/85/27/1330098527.db2.gz ONCSWWWOQYCRCV-ZDUSSCGKSA-N -1 1 337.379 3.334 10 30 EGEEMM O=Cc1ccc(-c2ccc([O-])c(C(=O)NCC#Cc3ccccc3)c2)o1 ZINC001135967112 1377279814 /nfs/dbraw/zinc/27/98/14/1377279814.db2.gz MOOTVUHRGQPEMW-UHFFFAOYSA-N -1 1 345.354 3.246 10 30 EGEEMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)C[C@H]1CCCO1 ZINC001342359113 1390604989 /nfs/dbraw/zinc/60/49/89/1390604989.db2.gz OULXKNAFDYWTFQ-CYBMUJFWSA-N -1 1 348.834 3.105 10 30 EGEEMM C=CCn1c([C@H](NC(=O)c2ccccc2F)C(C)C)n[n-]c1=S ZINC000038536736 213213681 /nfs/dbraw/zinc/21/36/81/213213681.db2.gz WMPSPSFRYKUVPQ-CYBMUJFWSA-N -1 1 334.420 3.393 10 30 EGEEMM CCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000105639349 204151814 /nfs/dbraw/zinc/15/18/14/204151814.db2.gz WQEGPJQOWCVLJN-IEODJVTJSA-N -1 1 328.364 3.094 10 30 EGEEMM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000316151901 154158368 /nfs/dbraw/zinc/15/83/68/154158368.db2.gz ABJKHEOCBWXZIS-UHFFFAOYSA-N -1 1 346.717 3.430 10 30 EGEEMM N#Cc1ccsc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443565406 270052493 /nfs/dbraw/zinc/05/24/93/270052493.db2.gz GSYXMTLTPWALOZ-UHFFFAOYSA-N -1 1 328.271 3.476 10 30 EGEEMM O=C([O-])CC1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O ZINC000031599472 453850359 /nfs/dbraw/zinc/85/03/59/453850359.db2.gz WOUSFTXLCCZSQY-DNZUHHBVSA-N -1 1 338.473 3.427 10 30 EGEEMM CC[C@@H](NC(=O)c1ccc(C#N)c([O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000188615428 456095958 /nfs/dbraw/zinc/09/59/58/456095958.db2.gz ZAWOZMQGZVRETA-OAHLLOKOSA-N -1 1 325.324 3.053 10 30 EGEEMM Cc1nccn1-c1ccc([C@H](C)NC(=O)c2ccc(C#N)c([O-])c2)cc1 ZINC000188617952 456096733 /nfs/dbraw/zinc/09/67/33/456096733.db2.gz YBLSZGWCTKYZFZ-ZDUSSCGKSA-N -1 1 346.390 3.249 10 30 EGEEMM N#Cc1ccc(C(=O)N2CC(Cc3ccccc3Cl)C2)cc1[O-] ZINC000443301192 457654044 /nfs/dbraw/zinc/65/40/44/457654044.db2.gz ZPDYAPDOWGQLOR-UHFFFAOYSA-N -1 1 326.783 3.232 10 30 EGEEMM COc1cc(C(=O)N2CCc3ccc(C#N)cc32)cc(Cl)c1[O-] ZINC000432363274 458724330 /nfs/dbraw/zinc/72/43/30/458724330.db2.gz UOVLBOATPBNARX-UHFFFAOYSA-N -1 1 328.755 3.129 10 30 EGEEMM N#CC(=C([O-])c1cc2[nH]ccc2s1)c1nnc2n1CCCCC2 ZINC000555434331 458906811 /nfs/dbraw/zinc/90/68/11/458906811.db2.gz ZOLZGOYXTSPTMK-SNVBAGLBSA-N -1 1 325.397 3.037 10 30 EGEEMM COc1cc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000618893055 460211246 /nfs/dbraw/zinc/21/12/46/460211246.db2.gz VXMFVBHZYNXIDX-OAHLLOKOSA-N -1 1 342.782 3.343 10 30 EGEEMM C=CCCCCCNC(=O)c1c[n-]c2cc(OC)cc(OC)c2c1=O ZINC000628016847 460971920 /nfs/dbraw/zinc/97/19/20/460971920.db2.gz WJXZFWBACKZFTE-UHFFFAOYSA-N -1 1 344.411 3.022 10 30 EGEEMM CC[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1cccc(OC)c1OC ZINC000871277983 1296312201 /nfs/dbraw/zinc/31/22/01/1296312201.db2.gz IVWRBBBVOGNEFW-INIZCTEOSA-N -1 1 340.379 3.162 10 30 EGEEMM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(C2CCC2)cc1 ZINC000872352549 1296923125 /nfs/dbraw/zinc/92/31/25/1296923125.db2.gz WOCQPUZVDIZFMO-UHFFFAOYSA-N -1 1 336.399 3.173 10 30 EGEEMM C=CCCC[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000879263882 1300459170 /nfs/dbraw/zinc/45/91/70/1300459170.db2.gz TXKMNWCAUXEKAX-SJORKVTESA-N -1 1 339.443 3.046 10 30 EGEEMM O=C(NCC(F)(C(F)(F)F)C(F)(F)F)c1c([O-])cccc1F ZINC000899097565 1310932162 /nfs/dbraw/zinc/93/21/62/1310932162.db2.gz ZRTDMCDKDNYYCP-UHFFFAOYSA-N -1 1 337.166 3.094 10 30 EGEEMM CC(C)(C)OC(=O)c1ccc(C=NNc2ccc(C(=O)[O-])cn2)s1 ZINC000863106161 1329528517 /nfs/dbraw/zinc/52/85/17/1329528517.db2.gz OCYWKHHCXBKGTB-UHFFFAOYSA-N -1 1 347.396 3.243 10 30 EGEEMM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC000863476987 1329557050 /nfs/dbraw/zinc/55/70/50/1329557050.db2.gz RTUYEGZYOBHPCE-INIZCTEOSA-N -1 1 344.415 3.488 10 30 EGEEMM C[C@@H](Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(C#N)c1[O-] ZINC000866329855 1330097302 /nfs/dbraw/zinc/09/73/02/1330097302.db2.gz IVAVNKDGJHCXAM-GFCCVEGCSA-N -1 1 346.394 3.425 10 30 EGEEMM N#Cc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1C1CC1 ZINC001153379979 1380068291 /nfs/dbraw/zinc/06/82/91/1380068291.db2.gz AIYQIANVLBXYMD-UHFFFAOYSA-N -1 1 330.347 3.337 10 30 EGEEMM C=C[C@H](C)O[N-]C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C ZINC001164413687 1383185116 /nfs/dbraw/zinc/18/51/16/1383185116.db2.gz HGTXDRFLVJTFQK-GUYCJALGSA-N -1 1 328.453 3.186 10 30 EGEEMM C=CCC[C@H]1CCCN1c1nnc(-c2nc(Cl)n[n-]2)n1CC1CC1 ZINC001351334201 1391628611 /nfs/dbraw/zinc/62/86/11/1391628611.db2.gz RTVVANQEANCREY-LBPRGKRZSA-N -1 1 347.854 3.062 10 30 EGEEMM CC1CCC(OC2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)CC1 ZINC000408429201 169176779 /nfs/dbraw/zinc/17/67/79/169176779.db2.gz XEORKNNQSMRVLT-UHFFFAOYSA-N -1 1 342.439 3.464 10 30 EGEEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)n1 ZINC000410930408 266469765 /nfs/dbraw/zinc/46/97/65/266469765.db2.gz NTRQAHUILQGFEJ-UHFFFAOYSA-N -1 1 347.400 3.294 10 30 EGEEMM CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1nccs1 ZINC000443130756 267195972 /nfs/dbraw/zinc/19/59/72/267195972.db2.gz NUPBXXCRLDNVLN-LLVKDONJSA-N -1 1 341.845 3.098 10 30 EGEEMM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)[nH]c2c1 ZINC000427635317 268049078 /nfs/dbraw/zinc/04/90/78/268049078.db2.gz CBSROOFDZZCPRA-UHFFFAOYSA-N -1 1 346.799 3.197 10 30 EGEEMM N#Cc1cccc(OCCSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000261417188 308064112 /nfs/dbraw/zinc/06/41/12/308064112.db2.gz YIMBWCIKPVZERY-UHFFFAOYSA-N -1 1 341.314 3.244 10 30 EGEEMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000183085971 455225394 /nfs/dbraw/zinc/22/53/94/455225394.db2.gz NSTSEHRVVPOYSQ-UHFFFAOYSA-N -1 1 340.763 3.160 10 30 EGEEMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1F ZINC000594828793 459159177 /nfs/dbraw/zinc/15/91/77/459159177.db2.gz DNZAPCRWJKGGTK-OAHLLOKOSA-N -1 1 338.429 3.434 10 30 EGEEMM N#Cc1ccccc1NC1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000600840237 460618995 /nfs/dbraw/zinc/61/89/95/460618995.db2.gz ASKIHLOCVKMYRS-UHFFFAOYSA-N -1 1 339.370 3.120 10 30 EGEEMM COc1ccccc1/C=C1/Oc2c(c(C)cc([O-])c2CN(C)C)C1=O ZINC000037857556 453939016 /nfs/dbraw/zinc/93/90/16/453939016.db2.gz YOJKHGBKWPSRCQ-LICLKQGHSA-N -1 1 339.391 3.387 10 30 EGEEMM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000408401291 457568406 /nfs/dbraw/zinc/56/84/06/457568406.db2.gz BBSSLKFCJWMYJQ-CPCISQLKSA-N -1 1 337.203 3.103 10 30 EGEEMM N#CC1(CC(=O)Nc2ccc(C(=O)NC3CCCCC3)c([O-])c2)CC1 ZINC000590335209 459117712 /nfs/dbraw/zinc/11/77/12/459117712.db2.gz FUURQWJADVWUQS-UHFFFAOYSA-N -1 1 341.411 3.087 10 30 EGEEMM N#Cc1ccc(CS(=O)(=O)[N-][C@@H](C(F)F)C2CCCCC2)cc1 ZINC000598629211 459968875 /nfs/dbraw/zinc/96/88/75/459968875.db2.gz ZQLGGYJYEYXUJA-OAHLLOKOSA-N -1 1 342.411 3.192 10 30 EGEEMM CCCCCCCC[C@@H](C)C(=O)Nc1nc2nc(CC)cc(=O)n2[n-]1 ZINC000857685164 1328583207 /nfs/dbraw/zinc/58/32/07/1328583207.db2.gz VBEVPFWNVJUXFB-CYBMUJFWSA-N -1 1 347.463 3.305 10 30 EGEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@@H]1CCC ZINC001122400634 1372241933 /nfs/dbraw/zinc/24/19/33/1372241933.db2.gz SSWDRAANZVFMJY-NSHDSACASA-N -1 1 335.843 3.062 10 30 EGEEMM Cc1csc([N-]C(=O)c2cnc(Br)s2)c1C#N ZINC001128849563 1373316685 /nfs/dbraw/zinc/31/66/85/1373316685.db2.gz FYYURNDUBAPQCR-UHFFFAOYSA-N -1 1 328.216 3.400 10 30 EGEEMM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Br)c([O-])c1 ZINC001326930075 1388354125 /nfs/dbraw/zinc/35/41/25/1388354125.db2.gz IKWPCLGZNLBMBQ-AWEZNQCLSA-N -1 1 328.206 3.322 10 30 EGEEMM CCc1ccc(C#CC(=O)Nc2nc(Br)ccc2[O-])cc1 ZINC001154597832 1380313636 /nfs/dbraw/zinc/31/36/36/1380313636.db2.gz NKMLSKJQFNDUIF-UHFFFAOYSA-N -1 1 345.196 3.102 10 30 EGEEMM COc1cccc([C@@H](OC)C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161808013 1382513536 /nfs/dbraw/zinc/51/35/36/1382513536.db2.gz UAKBTZLKNGJHEQ-MRXNPFEDSA-N -1 1 335.787 3.454 10 30 EGEEMM C=CCC[C@H](NC(=O)c1ccc2n[n-]c(=S)n2c1)c1ccccc1 ZINC001295328493 1382608647 /nfs/dbraw/zinc/60/86/47/1382608647.db2.gz MXQRCPFNCZCDFY-HNNXBMFYSA-N -1 1 338.436 3.455 10 30 EGEEMM N#CCc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1 ZINC001339752935 1390130116 /nfs/dbraw/zinc/13/01/16/1390130116.db2.gz DSYXQDNOGYBNMS-UHFFFAOYSA-N -1 1 331.169 3.473 10 30 EGEEMM O=S1(=O)[N-]/C(=N/[C@H]2C[C@H](c3cccc(Cl)c3)C2)c2ccccc21 ZINC001339755064 1390130743 /nfs/dbraw/zinc/13/07/43/1390130743.db2.gz FEYDRSWJHIBALO-MQMHXKEQSA-N -1 1 346.839 3.325 10 30 EGEEMM C=C(C)Cn1c(-c2nc(Cl)n[n-]2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001342542919 1390624600 /nfs/dbraw/zinc/62/46/00/1390624600.db2.gz QTFBNMNQFKJXBO-NEPJUHHUSA-N -1 1 347.854 3.062 10 30 EGEEMM O=C1c2ccc([O-])c(O)c2O/C1=C\c1cccc(Br)c1 ZINC000072238406 285015934 /nfs/dbraw/zinc/01/59/34/285015934.db2.gz VEXTUHWLGXBZOW-GHXNOFRVSA-N -1 1 333.137 3.477 10 30 EGEEMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(C#N)c3)cc2s1 ZINC000427096880 268080645 /nfs/dbraw/zinc/08/06/45/268080645.db2.gz MLAPDGKVQUUAFB-UHFFFAOYSA-N -1 1 329.406 3.277 10 30 EGEEMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)ccc1Cl ZINC000132937254 307664779 /nfs/dbraw/zinc/66/47/79/307664779.db2.gz OSUDTZSWBJOSLS-UHFFFAOYSA-N -1 1 334.784 3.043 10 30 EGEEMM N#CC(=C([O-])c1cc(Cc2ccccc2)[nH]n1)c1nc2ccccc2[nH]1 ZINC000342447667 457309212 /nfs/dbraw/zinc/30/92/12/457309212.db2.gz MRNDDSBRQZGFEL-OAHLLOKOSA-N -1 1 341.374 3.367 10 30 EGEEMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000342591083 457384586 /nfs/dbraw/zinc/38/45/86/457384586.db2.gz DOPSBUQQOSFWLH-MGPLVRAMSA-N -1 1 348.374 3.048 10 30 EGEEMM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000408401292 457568416 /nfs/dbraw/zinc/56/84/16/457568416.db2.gz BBSSLKFCJWMYJQ-HQJQHLMTSA-N -1 1 337.203 3.103 10 30 EGEEMM Cc1cnc(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)c([O-])c1 ZINC000358622582 458113603 /nfs/dbraw/zinc/11/36/03/458113603.db2.gz BOECZBFRMOGIDR-NSHDSACASA-N -1 1 336.178 3.397 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000562871216 459662242 /nfs/dbraw/zinc/66/22/42/459662242.db2.gz GPTVYAIQFXDRTF-JKSUJKDBSA-N -1 1 330.409 3.156 10 30 EGEEMM CC(C)Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000593276133 459826249 /nfs/dbraw/zinc/82/62/49/459826249.db2.gz NTHDDNQMYRAXTB-UHFFFAOYSA-N -1 1 346.456 3.210 10 30 EGEEMM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593276898 459827512 /nfs/dbraw/zinc/82/75/12/459827512.db2.gz ZZZUSGSKMMPYRV-QMMMGPOBSA-N -1 1 341.285 3.413 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)NCc2ccc(-c3cccnc3)cc2)c1 ZINC000589188666 460049288 /nfs/dbraw/zinc/04/92/88/460049288.db2.gz GQTGZNPVDYVYKN-UHFFFAOYSA-N -1 1 329.359 3.256 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)NCc2cccc(-c3ccccn3)c2)c1 ZINC000589193698 460049922 /nfs/dbraw/zinc/04/99/22/460049922.db2.gz JETRNENZSLTGFM-UHFFFAOYSA-N -1 1 329.359 3.256 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)Nc2cccc(OCC(F)(F)F)c2)c1 ZINC000614365866 460114799 /nfs/dbraw/zinc/11/47/99/460114799.db2.gz ZCYWTXMJJYFQOS-UHFFFAOYSA-N -1 1 336.269 3.457 10 30 EGEEMM COc1cc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cc(Cl)c1[O-] ZINC000618893054 460210833 /nfs/dbraw/zinc/21/08/33/460210833.db2.gz VXMFVBHZYNXIDX-HNNXBMFYSA-N -1 1 342.782 3.343 10 30 EGEEMM C=CCn1c(C)cc(C(=O)COC(=O)c2c([O-])cc(F)cc2F)c1C ZINC000745523275 576849240 /nfs/dbraw/zinc/84/92/40/576849240.db2.gz YOCMOOFTDXKMNA-UHFFFAOYSA-N -1 1 349.333 3.314 10 30 EGEEMM CC[C@](C)(C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000931299846 1329088876 /nfs/dbraw/zinc/08/88/76/1329088876.db2.gz KATVKYJIZYVSIO-GFCCVEGCSA-N -1 1 331.160 3.349 10 30 EGEEMM C[C@@H](Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(C#N)c1[O-] ZINC000866329197 1330097126 /nfs/dbraw/zinc/09/71/26/1330097126.db2.gz VMQOWJXOGKIOJI-CYBMUJFWSA-N -1 1 341.386 3.413 10 30 EGEEMM COc1cc(OC)c(OC)cc1N[C@H](C)c1cccc(C#N)c1[O-] ZINC000866333238 1330097562 /nfs/dbraw/zinc/09/75/62/1330097562.db2.gz JGHABQMRLJMPGV-LLVKDONJSA-N -1 1 328.368 3.463 10 30 EGEEMM C#CCC1([N-]S(=O)(=O)c2c(F)cc(C)cc2F)CCCCC1 ZINC001195271581 1368411322 /nfs/dbraw/zinc/41/13/22/1368411322.db2.gz ULXZPWSOIORNAI-UHFFFAOYSA-N -1 1 327.396 3.278 10 30 EGEEMM C=CCOc1cccc([N-]S(=O)(=O)c2cc3c[nH]nc3cc2C)c1 ZINC001188585531 1388336557 /nfs/dbraw/zinc/33/65/57/1388336557.db2.gz AVVDCKKEVFJCLN-UHFFFAOYSA-N -1 1 343.408 3.237 10 30 EGEEMM C=CCn1c(-c2ccc(Cl)cc2[O-])nnc1N(C)[C@H]1CC[C@@H]1OC ZINC001342357548 1390604456 /nfs/dbraw/zinc/60/44/56/1390604456.db2.gz BEIDXQAPMXPRNH-ZFWWWQNUSA-N -1 1 348.834 3.104 10 30 EGEEMM CCCCOc1ccc(C=CC(=O)c2c([O-])cc(C)oc2=O)cc1 ZINC000105639353 204152136 /nfs/dbraw/zinc/15/21/36/204152136.db2.gz WQEGPJQOWCVLJN-VOCYLRNQSA-N -1 1 328.364 3.094 10 30 EGEEMM N#Cc1ccc(C(=O)N[C@@H]2COc3c2ccc(Cl)c3Cl)cc1[O-] ZINC000443277540 268203439 /nfs/dbraw/zinc/20/34/39/268203439.db2.gz TUVTWIHXGDJOIW-GFCCVEGCSA-N -1 1 349.173 3.434 10 30 EGEEMM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)c1 ZINC000545337714 314757876 /nfs/dbraw/zinc/75/78/76/314757876.db2.gz GPHVVKIBPGEZPT-SECBINFHSA-N -1 1 344.392 3.376 10 30 EGEEMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)co1 ZINC000547865729 314949923 /nfs/dbraw/zinc/94/99/23/314949923.db2.gz URGKEJMHRTVKQA-VIFPVBQESA-N -1 1 331.397 3.131 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000562871215 315914726 /nfs/dbraw/zinc/91/47/26/315914726.db2.gz GPTVYAIQFXDRTF-HZPDHXFCSA-N -1 1 330.409 3.156 10 30 EGEEMM CC(=O)[N-]C(Nc1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F ZINC000003138055 452747012 /nfs/dbraw/zinc/74/70/12/452747012.db2.gz PIIGLFXUQHHNCM-UHFFFAOYSA-N -1 1 336.182 3.334 10 30 EGEEMM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)ccc1[O-] ZINC000094068181 454185256 /nfs/dbraw/zinc/18/52/56/454185256.db2.gz UYCCKPHFFVZOKM-UHFFFAOYSA-N -1 1 330.315 3.268 10 30 EGEEMM N#Cc1c[nH]c2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc12 ZINC000113741091 454934924 /nfs/dbraw/zinc/93/49/24/454934924.db2.gz OAMQKHJVZBOAAY-UHFFFAOYSA-N -1 1 328.331 3.133 10 30 EGEEMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccccc2CC#N)c1 ZINC000355872873 457425842 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EGEEMM Cc1nc2cc([N-]S(=O)(=O)c3cc(C#N)ccc3C)ccc2o1 ZINC000114673252 454967840 /nfs/dbraw/zinc/96/78/40/454967840.db2.gz AHIIYWFKWHBSKM-UHFFFAOYSA-N -1 1 327.365 3.117 10 30 EGEEMM COCc1cccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1 ZINC000593199174 459805951 /nfs/dbraw/zinc/80/59/51/459805951.db2.gz GLKTXFXYEHKMNX-UHFFFAOYSA-N -1 1 344.436 3.435 10 30 EGEEMM N#CC1(CNC(=O)c2ccc(Br)c([O-])c2)CCCCC1 ZINC000598310264 459860561 /nfs/dbraw/zinc/86/05/61/459860561.db2.gz DYUAZVJVQMYQMA-UHFFFAOYSA-N -1 1 337.217 3.359 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccncc2)cc1 ZINC000111995799 1293115459 /nfs/dbraw/zinc/11/54/59/1293115459.db2.gz ZJLFGHSWJKSLLZ-UHFFFAOYSA-N -1 1 335.388 3.421 10 30 EGEEMM CCCCCCCCCCC(=O)Nc1nc2nc(C)cc(=O)n2[n-]1 ZINC000857622837 1328567742 /nfs/dbraw/zinc/56/77/42/1328567742.db2.gz ZJKLEKUNQBAIKQ-UHFFFAOYSA-N -1 1 333.436 3.195 10 30 EGEEMM CC[C@@H](NCc1nccc(C(F)(F)F)n1)c1cccc(C#N)c1[O-] ZINC000926587301 1327627716 /nfs/dbraw/zinc/62/77/16/1327627716.db2.gz 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/nfs/dbraw/zinc/96/33/51/457963351.db2.gz WQJRRHNFHLCLMM-LLVKDONJSA-N -1 1 334.372 3.206 10 30 EGEEMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)co1 ZINC000548192910 458854191 /nfs/dbraw/zinc/85/41/91/458854191.db2.gz SMVMRFZEZYYWTP-UHFFFAOYSA-N -1 1 331.397 3.275 10 30 EGEEMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)n[nH]1 ZINC000592381947 459587557 /nfs/dbraw/zinc/58/75/57/459587557.db2.gz BHNOSUVGVKIGIM-CYBMUJFWSA-N -1 1 346.456 3.321 10 30 EGEEMM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589205724 460055247 /nfs/dbraw/zinc/05/52/47/460055247.db2.gz GWPVQWXWONFYRE-KRWDZBQOSA-N -1 1 335.407 3.005 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000614298125 460085154 /nfs/dbraw/zinc/08/51/54/460085154.db2.gz MWVWGPXHIMUVPX-IBGZPJMESA-N -1 1 329.359 3.178 10 30 EGEEMM COc1cc(C)cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c1C ZINC000619463998 460362832 /nfs/dbraw/zinc/36/28/32/460362832.db2.gz WYIYNGNHQFZXBZ-UHFFFAOYSA-N -1 1 330.409 3.179 10 30 EGEEMM Oc1ccc(C=Nc2nc3ccc(C(F)(F)F)cc3[nH]2)c(O)c1O ZINC000255841787 1296570868 /nfs/dbraw/zinc/57/08/68/1296570868.db2.gz CVCSXZGSSFTHQH-UHFFFAOYSA-N -1 1 337.257 3.449 10 30 EGEEMM N#Cc1ccc(C(=O)N2CCCC[C@@H]2CC2(O)CCCCC2)cc1[O-] ZINC000899751038 1317144523 /nfs/dbraw/zinc/14/45/23/1317144523.db2.gz NLAVVYFSANTZKI-QGZVFWFLSA-N -1 1 342.439 3.344 10 30 EGEEMM CCC[C@H](C#N)[N-]C(=O)C(F)(F)c1cccc(Br)c1 ZINC000931329430 1329094826 /nfs/dbraw/zinc/09/48/26/1329094826.db2.gz SZXXPICEDVQKGZ-LLVKDONJSA-N -1 1 331.160 3.349 10 30 EGEEMM C#CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2[O-])C1 ZINC000862571175 1329497264 /nfs/dbraw/zinc/49/72/64/1329497264.db2.gz PTJASTLTWRPEAI-CYBMUJFWSA-N -1 1 344.411 3.225 10 30 EGEEMM N#Cc1ccc(C(=O)NCc2cnc(-c3ccccc3)s2)cc1[O-] ZINC001324382273 1387614873 /nfs/dbraw/zinc/61/48/73/1387614873.db2.gz BXYNSDZDUHVIBC-UHFFFAOYSA-N -1 1 335.388 3.317 10 30 EGEEMM C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001136730531 1377418176 /nfs/dbraw/zinc/41/81/76/1377418176.db2.gz SWCWMBMGHZFBMT-GFCCVEGCSA-N -1 1 340.404 3.465 10 30 EGEEMM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(F)cc1 ZINC001159132493 1381637949 /nfs/dbraw/zinc/63/79/49/1381637949.db2.gz LTXGXRFTRCQGLE-MRXNPFEDSA-N -1 1 328.293 3.280 10 30 EGEEMM N#Cc1ccccc1C(F)(F)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180420552 1386791370 /nfs/dbraw/zinc/79/13/70/1386791370.db2.gz MEAMPQRIBGYXDS-UHFFFAOYSA-N -1 1 336.725 3.325 10 30 EGEEMM N#Cc1c(F)cccc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001321276400 1386863884 /nfs/dbraw/zinc/86/38/84/1386863884.db2.gz HTQXVBBCBNDLCA-UHFFFAOYSA-N -1 1 335.132 3.418 10 30 EGEEMM O=C1C(=O)N(c2ccccn2)[C@@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000020315005 212118559 /nfs/dbraw/zinc/11/85/59/212118559.db2.gz PWYFMPQWJQBAGC-KRWDZBQOSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ccccn2)[C@H]1c1ccccc1 ZINC000020315005 212118561 /nfs/dbraw/zinc/11/85/61/212118561.db2.gz PWYFMPQWJQBAGC-KRWDZBQOSA-N -1 1 346.342 3.458 10 30 EGEEMM C=CCn1c(SCc2n[n-]c(=S)n2C)nnc1-c1ccccc1 ZINC000000154440 258017220 /nfs/dbraw/zinc/01/72/20/258017220.db2.gz KBFXJWNVLNYOOS-UHFFFAOYSA-N -1 1 344.469 3.214 10 30 EGEEMM N#Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1Cl ZINC000112850689 162193213 /nfs/dbraw/zinc/19/32/13/162193213.db2.gz SIACUCZZSWNBKM-UHFFFAOYSA-N -1 1 331.784 3.494 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)o1 ZINC000344212622 164127885 /nfs/dbraw/zinc/12/78/85/164127885.db2.gz FCSWUWHWXWMPTL-OAHLLOKOSA-N -1 1 336.800 3.234 10 30 EGEEMM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188565229 456085626 /nfs/dbraw/zinc/08/56/26/456085626.db2.gz MCWLTKQACXUNLA-IUPXNIOVSA-N -1 1 342.439 3.464 10 30 EGEEMM Cc1ccc2c([O-])c(C(=O)N[C@@H](C)c3ccc(C#N)cc3)cnc2n1 ZINC000339051641 456916934 /nfs/dbraw/zinc/91/69/34/456916934.db2.gz SCZKHMRLUSRPIG-LBPRGKRZSA-N -1 1 332.363 3.007 10 30 EGEEMM Cc1ccc2c(n1)[n-]cc(C(=O)N[C@@H](C)c1ccc(C#N)cc1)c2=O ZINC000339051641 456916935 /nfs/dbraw/zinc/91/69/35/456916935.db2.gz SCZKHMRLUSRPIG-LBPRGKRZSA-N -1 1 332.363 3.007 10 30 EGEEMM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000597186229 459868029 /nfs/dbraw/zinc/86/80/29/459868029.db2.gz GKOCGTNXOOKCOU-LLVKDONJSA-N -1 1 344.444 3.075 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)Nc2ccc(-c3n[nH]c(C4CC4)n3)cc2)c1 ZINC000589175465 460044748 /nfs/dbraw/zinc/04/47/48/460044748.db2.gz IWQDRUKDDGHORI-UHFFFAOYSA-N -1 1 345.362 3.179 10 30 EGEEMM COc1cccc([C@]2(C)CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000598225375 460213219 /nfs/dbraw/zinc/21/32/19/460213219.db2.gz NLXGDQAKOUGFNU-HXUWFJFHSA-N -1 1 336.391 3.076 10 30 EGEEMM Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(C=N[O-])cc1 ZINC000254288305 1296469442 /nfs/dbraw/zinc/46/94/42/1296469442.db2.gz LTSPCCBSILWQJY-UHFFFAOYSA-N -1 1 346.770 3.252 10 30 EGEEMM C=CCCC[C@@H](C(=O)N=c1ccnc2n(C)[n-]cc1-2)c1ccccc1 ZINC000890283034 1304738845 /nfs/dbraw/zinc/73/88/45/1304738845.db2.gz CFOHHZQKGKLREV-MRXNPFEDSA-N -1 1 334.423 3.420 10 30 EGEEMM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000867261974 1330189699 /nfs/dbraw/zinc/18/96/99/1330189699.db2.gz UHVPOXFNHRGYLB-ZDUSSCGKSA-N -1 1 339.363 3.130 10 30 EGEEMM C=C(C)CN1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001195928283 1368518234 /nfs/dbraw/zinc/51/82/34/1368518234.db2.gz NOGMSQBZVKEEST-GJZGRUSLSA-N -1 1 344.352 3.238 10 30 EGEEMM C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001136024681 1377303316 /nfs/dbraw/zinc/30/33/16/1377303316.db2.gz MYXYDHXLRDEASH-UHFFFAOYSA-N -1 1 344.798 3.143 10 30 EGEEMM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)o1 ZINC001309677185 1384192149 /nfs/dbraw/zinc/19/21/49/1384192149.db2.gz SIENOIXWXHGNEJ-QWRGUYRKSA-N -1 1 348.262 3.455 10 30 EGEEMM C#CCOc1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1 ZINC001321793788 1386985763 /nfs/dbraw/zinc/98/57/63/1386985763.db2.gz IKLKOBNXUJHSIC-UHFFFAOYSA-N -1 1 346.180 3.419 10 30 EGEEMM CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC001687491063 1396393292 /nfs/dbraw/zinc/39/32/92/1396393292.db2.gz UADDGHFXWJVLKJ-UHFFFAOYSA-N -1 1 343.814 3.301 10 30 EGEEMM COc1ccc(C)cc1C=CC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000096809578 454382738 /nfs/dbraw/zinc/38/27/38/454382738.db2.gz WVXOOOSLNRHZQO-XQRVVYSFSA-N -1 1 326.278 3.442 10 30 EGEEMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000126977693 454929791 /nfs/dbraw/zinc/92/97/91/454929791.db2.gz QGXIXVHPPBUEPQ-VIFPVBQESA-N -1 1 349.378 3.106 10 30 EGEEMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)n1 ZINC000191688075 455510708 /nfs/dbraw/zinc/51/07/08/455510708.db2.gz XQWQAAFKCNCPJQ-UHFFFAOYSA-N -1 1 347.400 3.294 10 30 EGEEMM N#Cc1cccnc1-n1cc(NCc2cccc([O-])c2Cl)cn1 ZINC000339351020 457063082 /nfs/dbraw/zinc/06/30/82/457063082.db2.gz IHWXMZGDLSLFOG-UHFFFAOYSA-N -1 1 325.759 3.110 10 30 EGEEMM N#C[C@@H](c1ccccc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000350115354 457166284 /nfs/dbraw/zinc/16/62/84/457166284.db2.gz AJMSNGAMGDQHIF-KRWDZBQOSA-N -1 1 341.842 3.428 10 30 EGEEMM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc[nH]c2C2CCC2)n1 ZINC000566566159 458961846 /nfs/dbraw/zinc/96/18/46/458961846.db2.gz XAMGMVLSNJRKJC-GFCCVEGCSA-N -1 1 343.408 3.405 10 30 EGEEMM COc1cccc([C@@]2(C)CCN(C(=O)c3cc([O-])cc(C#N)c3)C2)c1 ZINC000598225408 460212908 /nfs/dbraw/zinc/21/29/08/460212908.db2.gz OHOZVJVYBWIVMT-FQEVSTJZSA-N -1 1 336.391 3.076 10 30 EGEEMM Cc1nc(SCC(=O)[C@H](C#N)c2ccccc2)[n-]c(=O)c1C1CC1 ZINC000871680115 1296477655 /nfs/dbraw/zinc/47/76/55/1296477655.db2.gz VGMRTKVUGNCZMZ-CQSZACIVSA-N -1 1 339.420 3.337 10 30 EGEEMM CC[C@@H](Nc1cccc(N2CCNC2=O)c1)c1cccc(C#N)c1[O-] ZINC000925760602 1325289557 /nfs/dbraw/zinc/28/95/57/1325289557.db2.gz NLVBMBYWBHZURH-QGZVFWFLSA-N -1 1 336.395 3.357 10 30 EGEEMM CC[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1cccc(C#N)c1[O-] ZINC000925877885 1325339945 /nfs/dbraw/zinc/33/99/45/1325339945.db2.gz NQRVWNJFAPVZGU-OAHLLOKOSA-N -1 1 336.395 3.017 10 30 EGEEMM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001293872915 1382381035 /nfs/dbraw/zinc/38/10/35/1382381035.db2.gz BEGVHHHGYMBOMU-ADLMAVQZSA-N -1 1 327.359 3.282 10 30 EGEEMM CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-] ZINC001351332301 1391628089 /nfs/dbraw/zinc/62/80/89/1391628089.db2.gz FULFUUOJFNBBKG-LBPRGKRZSA-N -1 1 326.352 3.086 10 30 EGEEMM COc1ccc(OC)c(C(=O)C=C([O-])C(=O)Nc2ccccc2F)c1 ZINC000101355612 219124216 /nfs/dbraw/zinc/12/42/16/219124216.db2.gz UKQCRQADKYNAER-YBEGLDIGSA-N -1 1 345.326 3.106 10 30 EGEEMM Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc12 ZINC000093909480 162032652 /nfs/dbraw/zinc/03/26/52/162032652.db2.gz LNWWOXNJCVIEKB-UHFFFAOYSA-N -1 1 346.799 3.197 10 30 EGEEMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc12 ZINC000093909480 162032655 /nfs/dbraw/zinc/03/26/55/162032655.db2.gz LNWWOXNJCVIEKB-UHFFFAOYSA-N -1 1 346.799 3.197 10 30 EGEEMM COCc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)co1 ZINC000547865728 314949767 /nfs/dbraw/zinc/94/97/67/314949767.db2.gz URGKEJMHRTVKQA-SECBINFHSA-N -1 1 331.397 3.131 10 30 EGEEMM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(C#N)c3)c2)o1 ZINC000066814661 453877141 /nfs/dbraw/zinc/87/71/41/453877141.db2.gz UVWBRDWYTJCZRQ-UHFFFAOYSA-N -1 1 339.376 3.323 10 30 EGEEMM Cc1ccnc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)c1C1CC1 ZINC000594727958 459142933 /nfs/dbraw/zinc/14/29/33/459142933.db2.gz RLKJVBCAGJQJFI-UHFFFAOYSA-N -1 1 341.436 3.275 10 30 EGEEMM C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000589184450 460047819 /nfs/dbraw/zinc/04/78/19/460047819.db2.gz OEUVXAXALBGRPR-KPZWWZAWSA-N -1 1 340.354 3.005 10 30 EGEEMM N#Cc1cc([O-])cc(C(=O)NCc2ccccc2OC(F)(F)F)c1 ZINC000614293593 460083344 /nfs/dbraw/zinc/08/33/44/460083344.db2.gz OBUHUASHCIFWAC-UHFFFAOYSA-N -1 1 336.269 3.092 10 30 EGEEMM Cc1cc(C(=O)Nc2c([O-])cccc2F)nn1-c1cccc(C#N)c1 ZINC000611556689 460396864 /nfs/dbraw/zinc/39/68/64/460396864.db2.gz MQLVUUDMUZWQAF-UHFFFAOYSA-N -1 1 336.326 3.149 10 30 EGEEMM C=CCN(CC=C)C(=O)[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631025733 461479534 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C[C@H]1CN(Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000600699678 460572450 /nfs/dbraw/zinc/57/24/50/460572450.db2.gz HQNZOIAIMNQCOJ-GXFFZTMASA-N -1 1 326.318 3.120 10 30 EGEEMM CC1(C)CN(C(=O)c2cc([O-])cc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000616540577 460585331 /nfs/dbraw/zinc/58/53/31/460585331.db2.gz XLGJMGYZAKCDDC-ZDUSSCGKSA-N -1 1 326.318 3.314 10 30 EGEEMM C=CCN(CCc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000068370541 454020965 /nfs/dbraw/zinc/02/09/65/454020965.db2.gz NFKMATDTERZNGW-UHFFFAOYSA-N -1 1 333.391 3.206 10 30 EGEEMM COc1ccc(C#N)cc1CSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000152842165 454731814 /nfs/dbraw/zinc/73/18/14/454731814.db2.gz QGORDPZDYCYJPA-UHFFFAOYSA-N -1 1 341.314 3.374 10 30 EGEEMM COc1ccc(-c2nnc([N-]C(=O)c3sccc3C#N)s2)cc1 ZINC000136308689 454734647 /nfs/dbraw/zinc/73/46/47/454734647.db2.gz PWFQQGAZGFVQSZ-UHFFFAOYSA-N -1 1 342.405 3.399 10 30 EGEEMM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000153569290 454807367 /nfs/dbraw/zinc/80/73/67/454807367.db2.gz 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Cn1c(NC(=O)c2cc([O-])cc(C#N)c2)nc2cc(Cl)ccc21 ZINC000614298128 460084821 /nfs/dbraw/zinc/08/48/21/460084821.db2.gz NDVSFQRAQZCUPU-UHFFFAOYSA-N -1 1 326.743 3.056 10 30 EGEEMM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nc(C2CC2)cs1 ZINC000659115652 461166439 /nfs/dbraw/zinc/16/64/39/461166439.db2.gz FEUBFVRZNFKAOD-ZDUSSCGKSA-N -1 1 342.424 3.059 10 30 EGEEMM C=C(C)CN(CC)C(=O)[C@H](C)Sc1nc(C)c(C2CC2)c(=O)[n-]1 ZINC000631025091 461477704 /nfs/dbraw/zinc/47/77/04/461477704.db2.gz OXAVPGLXWLZUBS-LBPRGKRZSA-N -1 1 335.473 3.273 10 30 EGEEMM C=CCC(CC=C)C(=O)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870161206 1295710406 /nfs/dbraw/zinc/71/04/06/1295710406.db2.gz BAEKCPCTGJHXQT-UHFFFAOYSA-N -1 1 348.874 3.458 10 30 EGEEMM C#C[C@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1ccc(Cl)cc1 ZINC001141800606 1378378892 /nfs/dbraw/zinc/37/88/92/1378378892.db2.gz DPPPRUHNXCDJGB-INIZCTEOSA-N -1 1 327.767 3.271 10 30 EGEEMM C=CCCCCNC(=O)c1ccc(I)cc1[O-] ZINC001296818814 1383066942 /nfs/dbraw/zinc/06/69/42/1383066942.db2.gz UFUFHXJZFUFTMD-UHFFFAOYSA-N -1 1 345.180 3.083 10 30 EGEEMM C=CCC1(C(=O)N2CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)CCCC1 ZINC001306869377 1383912676 /nfs/dbraw/zinc/91/26/76/1383912676.db2.gz RPCHOMLCRQXSMR-STQMWFEESA-N -1 1 346.393 3.181 10 30 EGEEMM Cc1cc(C(F)(F)F)nc(C(=O)N([O-])Cc2ccccc2Cl)n1 ZINC001306894964 1383915969 /nfs/dbraw/zinc/91/59/69/1383915969.db2.gz TZBOFZLZTUYMPU-UHFFFAOYSA-N -1 1 345.708 3.489 10 30 EGEEMM C#C[C@H]([N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(C)C ZINC001309451675 1384182181 /nfs/dbraw/zinc/18/21/81/1384182181.db2.gz CJMPFLMIXIPUKY-NSHDSACASA-N -1 1 327.858 3.491 10 30 EGEEMM N#CCc1ccc(S(=O)(=O)[N-]c2nc(Cl)ccc2Cl)cc1 ZINC001319884265 1386359570 /nfs/dbraw/zinc/35/95/70/1386359570.db2.gz PEXHDEPNKJGRAW-UHFFFAOYSA-N -1 1 342.207 3.255 10 30 EGEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001340733789 1390355414 /nfs/dbraw/zinc/35/54/14/1390355414.db2.gz TXCZGQYWCYKYAD-LLVKDONJSA-N -1 1 343.822 3.100 10 30 EGEEMM N#CCOc1ccccc1C(=O)Nc1ccc(Br)c([O-])c1 ZINC001344476185 1390793755 /nfs/dbraw/zinc/79/37/55/1390793755.db2.gz IYRIKSVFYSIEPT-UHFFFAOYSA-N -1 1 347.168 3.309 10 30 EGEEMM N#Cc1ccc(CN2Cc3cc(Cl)ccc3C[C@@H]2C(=O)[O-])cc1 ZINC000016082852 283143756 /nfs/dbraw/zinc/14/37/56/283143756.db2.gz DKVWNGHOULIZPW-QGZVFWFLSA-N -1 1 326.783 3.223 10 30 EGEEMM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000345636567 164231873 /nfs/dbraw/zinc/23/18/73/164231873.db2.gz GTFRSYNXRPXWHF-NSHDSACASA-N -1 1 340.754 3.077 10 30 EGEEMM CSc1nc2c(c(=O)[n-]1)[C@@H](c1ccsc1)C1=C(CCCC1=O)N2 ZINC000032682303 453883087 /nfs/dbraw/zinc/88/30/87/453883087.db2.gz DIDIQJMCGQDRCG-NSHDSACASA-N -1 1 345.449 3.118 10 30 EGEEMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)c1 ZINC000177998803 454925539 /nfs/dbraw/zinc/92/55/39/454925539.db2.gz OJIMGGHEZLSJTP-UHFFFAOYSA-N -1 1 340.763 3.160 10 30 EGEEMM COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427328129 457973342 /nfs/dbraw/zinc/97/33/42/457973342.db2.gz NWEJUTKIKOFJNI-UHFFFAOYSA-N -1 1 334.372 3.124 10 30 EGEEMM N#CCC1(CN=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000418933315 458377793 /nfs/dbraw/zinc/37/77/93/458377793.db2.gz HSESQHKPRMWRRF-UHFFFAOYSA-N -1 1 340.168 3.452 10 30 EGEEMM CC(C)(C#N)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000541782396 459491311 /nfs/dbraw/zinc/49/13/11/459491311.db2.gz MALSKNFMGARPEU-UHFFFAOYSA-N -1 1 327.620 3.227 10 30 EGEEMM C[C@@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 ZINC000589184451 460047444 /nfs/dbraw/zinc/04/74/44/460047444.db2.gz OEUVXAXALBGRPR-KZULUSFZSA-N -1 1 340.354 3.005 10 30 EGEEMM N#CCCN(Cc1cccnc1)C(=O)c1ccc(C(F)(F)F)c([O-])c1 ZINC000619582219 460390011 /nfs/dbraw/zinc/39/00/11/460390011.db2.gz DXYPOMCAMNRGFW-UHFFFAOYSA-N -1 1 349.312 3.362 10 30 EGEEMM COc1ccc(/C=C/C(=O)c2c([O-])cc(OC)c(O)c2OC)cc1 ZINC000004886971 560200189 /nfs/dbraw/zinc/20/01/89/560200189.db2.gz JWFZPJWPSOPULW-RMKNXTFCSA-N -1 1 330.336 3.020 10 30 in-vitro EGEEMM C=CCCC[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000879263880 1300458888 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EGEEMM N#Cc1ccc(C(=O)NCc2ccc(-c3cccnc3)cc2)cc1[O-] ZINC000442654881 268201334 /nfs/dbraw/zinc/20/13/34/268201334.db2.gz YPOWWNAVZDMUCW-UHFFFAOYSA-N -1 1 329.359 3.256 10 30 EGEEMM CC(C)c1csc(C(C#N)=C([O-])c2cccc(-n3cncn3)c2)n1 ZINC000177750330 454899490 /nfs/dbraw/zinc/89/94/90/454899490.db2.gz GIATVMAMNWNLGT-CQSZACIVSA-N -1 1 337.408 3.337 10 30 EGEEMM C=CCOc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CC3)c1 ZINC000343013119 456355447 /nfs/dbraw/zinc/35/54/47/456355447.db2.gz RNECMIODEWLLAT-UHFFFAOYSA-N -1 1 344.436 3.045 10 30 EGEEMM COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1F ZINC000337758104 456527174 /nfs/dbraw/zinc/52/71/74/456527174.db2.gz ISUOUZBDWPDINV-UHFFFAOYSA-N -1 1 334.372 3.124 10 30 EGEEMM CSc1cc(C(=O)CSc2nccc(=O)[n-]2)ccc1NC(C)=O ZINC000328590180 456716123 /nfs/dbraw/zinc/71/61/23/456716123.db2.gz PTMCFWFSUUOXAB-UHFFFAOYSA-N -1 1 349.437 3.487 10 30 EGEEMM N#CC(=C([O-])c1cccc(-n2cccn2)n1)c1nccc2ccccc21 ZINC000361531584 457774601 /nfs/dbraw/zinc/77/46/01/457774601.db2.gz RZIMLXSGBCHBGN-MRXNPFEDSA-N -1 1 339.358 3.306 10 30 EGEEMM COc1cc(CNC(=O)c2cc3ccccc3cc2[O-])ccc1C#N ZINC000436565591 458334313 /nfs/dbraw/zinc/33/43/13/458334313.db2.gz STGVKKWVPQXPQT-UHFFFAOYSA-N -1 1 332.359 3.356 10 30 EGEEMM C=CCCC[N-]S(=O)(=O)c1cc(Br)sc1Cl ZINC000447938135 458367704 /nfs/dbraw/zinc/36/77/04/458367704.db2.gz DUENHHRSUCMNGG-UHFFFAOYSA-N -1 1 344.683 3.409 10 30 EGEEMM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000548148928 458844625 /nfs/dbraw/zinc/84/46/25/458844625.db2.gz MKUSIPVPPGBDMK-LLVKDONJSA-N -1 1 340.754 3.221 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CCC2)o1 ZINC000592098245 459525068 /nfs/dbraw/zinc/52/50/68/459525068.db2.gz GUMJPFRYLMTQDQ-UHFFFAOYSA-N -1 1 336.800 3.162 10 30 EGEEMM CC(C)CCc1cc([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)n[nH]1 ZINC000566229145 459826459 /nfs/dbraw/zinc/82/64/59/459826459.db2.gz ISIZFUBXZHDBIS-UHFFFAOYSA-N -1 1 346.456 3.006 10 30 EGEEMM CCCCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)[nH]n1 ZINC000593275187 459826640 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N#Cc1cccc(C(=O)Nc2ccc(F)cc2[O-])c1Br ZINC001183054204 1387256328 /nfs/dbraw/zinc/25/63/28/1387256328.db2.gz FYYBXTZWYIKUFB-UHFFFAOYSA-N -1 1 335.132 3.418 10 30 EGEEMM C#C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001230478525 1376034995 /nfs/dbraw/zinc/03/49/95/1376034995.db2.gz JCAUGNCVVHOWBL-HNNXBMFYSA-N -1 1 332.762 3.358 10 30 EGEEMM C#C[C@@H](NC(=O)c1cc(C)cc(C=O)c1[O-])c1ccc(Cl)cc1 ZINC001141800611 1378379263 /nfs/dbraw/zinc/37/92/63/1378379263.db2.gz DPPPRUHNXCDJGB-MRXNPFEDSA-N -1 1 327.767 3.271 10 30 EGEEMM C=CCO[N-]C(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC001158208519 1381159033 /nfs/dbraw/zinc/15/90/33/1381159033.db2.gz KXFIHIHZTZDHBO-AWEZNQCLSA-N -1 1 330.350 3.322 10 30 EGEEMM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c([O-])cnc3c(F)cccc32)C1 ZINC001293872939 1382381359 /nfs/dbraw/zinc/38/13/59/1382381359.db2.gz BEGVHHHGYMBOMU-BBATYDOGSA-N -1 1 327.359 3.282 10 30 EGEEMM Cc1cnc(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)c([O-])c1 ZINC001175353788 1385263424 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C=CC[C@@H](Sc1nc(-c2ccccc2)c(C)c(=O)[n-]1)C(=O)OC ZINC001189104210 1388458548 /nfs/dbraw/zinc/45/85/48/1388458548.db2.gz OYMDYWJYCZZWQY-CYBMUJFWSA-N -1 1 330.409 3.367 10 30 EGEEMM C#C[C@@H](NC(=O)c1cc(F)ccc1[O-])c1ccc(Br)cc1 ZINC001298539274 1383408090 /nfs/dbraw/zinc/40/80/90/1383408090.db2.gz QXBQGHIZRQRWCW-CQSZACIVSA-N -1 1 348.171 3.398 10 30 EGEEMM C=CCn1c(-c2c[n-][nH]c2=O)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001340414074 1390284847 /nfs/dbraw/zinc/28/48/47/1390284847.db2.gz DPQLJLSLIFNHLN-ZDUSSCGKSA-N -1 1 338.415 3.066 10 30 EGEEMM CCCOc1ccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(C)c1 ZINC000427135060 270049880 /nfs/dbraw/zinc/04/98/80/270049880.db2.gz HLLDEITXUACMLI-UHFFFAOYSA-N -1 1 345.424 3.160 10 30 EGEEMM Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000442624189 270052129 /nfs/dbraw/zinc/05/21/29/270052129.db2.gz PNFHIYDEBZHXRL-UHFFFAOYSA-N -1 1 348.402 3.307 10 30 EGEEMM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2o1 ZINC000194136163 455806336 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ZINC000594828791 459159451 /nfs/dbraw/zinc/15/94/51/459159451.db2.gz DNZAPCRWJKGGTK-HNNXBMFYSA-N -1 1 338.429 3.434 10 30 EGEEMM COc1ccccc1C[C@H]1CCCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000614297903 460085099 /nfs/dbraw/zinc/08/50/99/460085099.db2.gz FWRKVBVSXSOIOY-QGZVFWFLSA-N -1 1 336.391 3.120 10 30 EGEEMM N#Cc1ccc(OC2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)cc1 ZINC000613505449 460974428 /nfs/dbraw/zinc/97/44/28/460974428.db2.gz FLBNVAKLJNBVJD-UHFFFAOYSA-N -1 1 340.354 3.087 10 30 EGEEMM N#C[C@@H](C(=O)CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1 ZINC000871666709 1296472179 /nfs/dbraw/zinc/47/21/79/1296472179.db2.gz PGLMTDASEDHBIC-CYBMUJFWSA-N -1 1 325.393 3.028 10 30 EGEEMM C=CC[C@H]1CCN1C(=O)c1c([O-])cnc2c(Br)cccc21 ZINC000890553829 1304814268 /nfs/dbraw/zinc/81/42/68/1304814268.db2.gz CCPBFDBSYIXNID-JTQLQIEISA-N -1 1 347.212 3.494 10 30 EGEEMM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183333575 1387299534 /nfs/dbraw/zinc/29/95/34/1387299534.db2.gz NKDNMFQELWDBED-GTNSWQLSSA-N -1 1 346.814 3.305 10 30 EGEEMM N#C[C@H](NC(=O)c1cccc([O-])c1F)c1ccc(Br)cc1 ZINC001290674953 1382103007 /nfs/dbraw/zinc/10/30/07/1382103007.db2.gz JDXCCZXLOTXCCZ-LBPRGKRZSA-N -1 1 349.159 3.288 10 30 EGEEMM O=S1(=O)[N-]/C(=N/[C@@H]2C[C@H]2c2ccc3ccccc3c2)c2ccccc21 ZINC001321280348 1386864792 /nfs/dbraw/zinc/86/47/92/1386864792.db2.gz GCUSUVQRUSDQGG-ZWKOTPCHSA-N -1 1 348.427 3.434 10 30 EGEEMM N#Cc1ccccc1OCC(=O)Nc1ccc(Br)c([O-])c1 ZINC001338861031 1389795672 /nfs/dbraw/zinc/79/56/72/1389795672.db2.gz KXJPGAVYJUODDM-UHFFFAOYSA-N -1 1 347.168 3.044 10 30 EGEEMM CCCCCCCC(=O)NC1(c2ncc(OC)c(=O)[n-]2)CCCC1 ZINC001347458114 1391078216 /nfs/dbraw/zinc/07/82/16/1391078216.db2.gz KMCADWSGZAUQIR-UHFFFAOYSA-N -1 1 335.448 3.437 10 30 EGEEMM Cn1c(C#N)ccc1-c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000034948756 213002007 /nfs/dbraw/zinc/00/20/07/213002007.db2.gz NXCIMYDGFDRLFP-UHFFFAOYSA-N -1 1 337.404 3.365 10 30 EGEEMM C=CCSc1nc2c(c(=O)[n-]1)[C@H](c1ccc(F)cc1F)CC(=O)N2 ZINC000021784901 212250802 /nfs/dbraw/zinc/25/08/02/212250802.db2.gz SCJVSQDDUGMUQP-JTQLQIEISA-N -1 1 349.362 3.213 10 30 EGEEMM N#Cc1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)c(F)c1 ZINC000507835355 268234677 /nfs/dbraw/zinc/23/46/77/268234677.db2.gz HJLFIQQYXIKRBO-UHFFFAOYSA-N -1 1 345.805 3.379 10 30 EGEEMM N#Cc1cccc(S(=O)(=O)c2c[n-]c3cc(Cl)ccc3c2=O)c1 ZINC000015828813 453586270 /nfs/dbraw/zinc/58/62/70/453586270.db2.gz VQHGHIFPAXMLGE-UHFFFAOYSA-N -1 1 344.779 3.298 10 30 EGEEMM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(OCCCC)cc1C ZINC000033857561 453917586 /nfs/dbraw/zinc/91/75/86/453917586.db2.gz HEWKMNBBXPPMPF-UHFFFAOYSA-N -1 1 342.461 3.166 10 30 EGEEMM CCCCNC([O-])=NS(=O)(=O)c1ccc(OCCCC)cc1C ZINC000033857561 453917588 /nfs/dbraw/zinc/91/75/88/453917588.db2.gz HEWKMNBBXPPMPF-UHFFFAOYSA-N -1 1 342.461 3.166 10 30 EGEEMM N#Cc1cscc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000349200172 456911634 /nfs/dbraw/zinc/91/16/34/456911634.db2.gz HAHCRNDWIIUQDJ-UHFFFAOYSA-N -1 1 328.271 3.476 10 30 EGEEMM CCO[C@@H](C)c1nc(CN(C)C(=O)c2cc([O-])cc(C#N)c2)cs1 ZINC000589187303 460046955 /nfs/dbraw/zinc/04/69/55/460046955.db2.gz WDRPTVZMGRKQAW-NSHDSACASA-N -1 1 345.424 3.090 10 30 EGEEMM COc1cccc(-c2nsc([N-]C(=O)c3sccc3C#N)n2)c1 ZINC000102910840 537072103 /nfs/dbraw/zinc/07/21/03/537072103.db2.gz DSTNVXDCPOQSQZ-UHFFFAOYSA-N -1 1 342.405 3.399 10 30 EGEEMM O=C([O-])c1ccc(NN=Cc2cc(F)ccc2Br)nc1 ZINC000763369497 575048139 /nfs/dbraw/zinc/04/81/39/575048139.db2.gz HOYKFYUKSBIGAR-UHFFFAOYSA-N -1 1 338.136 3.127 10 30 EGEEMM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccnc2Cl)c1 ZINC000094982993 1292943868 /nfs/dbraw/zinc/94/38/68/1292943868.db2.gz CHZVZTRBPGLMGF-UHFFFAOYSA-N -1 1 328.180 3.061 10 30 EGEEMM C=CC[C@@H](CC)NC(=O)c1ccc(I)cc1[O-] ZINC001155993047 1380510882 /nfs/dbraw/zinc/51/08/82/1380510882.db2.gz VSHRRNNVYFFIJT-SNVBAGLBSA-N -1 1 345.180 3.081 10 30 EGEEMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000345724632 164252730 /nfs/dbraw/zinc/25/27/30/164252730.db2.gz RBUAWXMZZIUDKT-LLVKDONJSA-N -1 1 340.754 3.077 10 30 EGEEMM N#Cc1ccc(OC2CCN(C(=O)c3ccc([O-])cc3F)CC2)cc1 ZINC000274947215 268167173 /nfs/dbraw/zinc/16/71/73/268167173.db2.gz PAYUDLPWOQJBNQ-UHFFFAOYSA-N -1 1 340.354 3.087 10 30 EGEEMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1F ZINC000055619013 453999600 /nfs/dbraw/zinc/99/96/00/453999600.db2.gz WQDYDAHEDDHZMY-UHFFFAOYSA-N -1 1 340.763 3.160 10 30 EGEEMM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000069101978 454079378 /nfs/dbraw/zinc/07/93/78/454079378.db2.gz DDMSSHLBTHRHGH-UHFFFAOYSA-N -1 1 346.390 3.258 10 30 EGEEMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1Cl ZINC000181201516 455301704 /nfs/dbraw/zinc/30/17/04/455301704.db2.gz VQNCFBNLHONEQL-UHFFFAOYSA-N -1 1 334.784 3.215 10 30 EGEEMM CCOc1cc(C(=O)NCc2ccc(C#N)cc2F)cc(Cl)c1[O-] ZINC000186785487 455835394 /nfs/dbraw/zinc/83/53/94/455835394.db2.gz OGIWJRIJHJRXSX-UHFFFAOYSA-N -1 1 348.761 3.385 10 30 EGEEMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(C#N)c([O-])c3)C2)c1 ZINC000337717219 456502123 /nfs/dbraw/zinc/50/21/23/456502123.db2.gz LVXAMUIZFKCYPR-LJQANCHMSA-N -1 1 342.345 3.422 10 30 EGEEMM CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435714513 458187818 /nfs/dbraw/zinc/18/78/18/458187818.db2.gz LBJCBDXYQRFPDA-ZDUSSCGKSA-N -1 1 330.409 3.375 10 30 EGEEMM CC(C)(C)O[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)C12CCC2 ZINC000598296281 459851569 /nfs/dbraw/zinc/85/15/69/459851569.db2.gz LTIMYEDDNCYKLR-HOTGVXAUSA-N -1 1 328.412 3.120 10 30 EGEEMM N#C[C@H](Cc1ccccc1)Sc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000609852054 460029258 /nfs/dbraw/zinc/02/92/58/460029258.db2.gz LVJWATIVZSEEPK-JTQLQIEISA-N -1 1 325.315 3.428 10 30 EGEEMM C=CCOCC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000679478297 549715681 /nfs/dbraw/zinc/71/56/81/549715681.db2.gz ZAZIWGDSEADWCR-UHFFFAOYSA-N -1 1 344.647 3.128 10 30 EGEEMM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2cc(F)ccc2F)cc1 ZINC000683172166 550199847 /nfs/dbraw/zinc/19/98/47/550199847.db2.gz AIZOCIHTBJPLHY-KRWDZBQOSA-N -1 1 333.334 3.445 10 30 EGEEMM CC[C@H](Nc1ccc2c(c1)N(C)C(=O)CO2)c1cccc(C#N)c1[O-] ZINC000925886144 1325343749 /nfs/dbraw/zinc/34/37/49/1325343749.db2.gz ONYPARACDKDCBK-HNNXBMFYSA-N -1 1 337.379 3.182 10 30 EGEEMM CO[C@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cccc(C#N)c2[O-])c1 ZINC000866317465 1330096094 /nfs/dbraw/zinc/09/60/94/1330096094.db2.gz YUKNYPIRQRSQCF-QWHCGFSZSA-N -1 1 339.395 3.410 10 30 EGEEMM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(F)F)o1 ZINC000867261973 1330189591 /nfs/dbraw/zinc/18/95/91/1330189591.db2.gz UHVPOXFNHRGYLB-CYBMUJFWSA-N -1 1 339.363 3.130 10 30 EGEEMM Cc1csc([N-]C(=O)c2nscc2Br)c1C#N ZINC001128751851 1373308249 /nfs/dbraw/zinc/30/82/49/1373308249.db2.gz UQQRGYWBOKLSEW-UHFFFAOYSA-N -1 1 328.216 3.400 10 30 EGEEMM C[Si](C)(C)C#CCCNC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC001146810414 1378925162 /nfs/dbraw/zinc/92/51/62/1378925162.db2.gz MNWJTUQZZINOQM-UHFFFAOYSA-N -1 1 329.394 3.412 10 30 EGEEMM C=CCO[N-]C(=O)[C@@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC001158208520 1381158859 /nfs/dbraw/zinc/15/88/59/1381158859.db2.gz KXFIHIHZTZDHBO-CQSZACIVSA-N -1 1 330.350 3.322 10 30 EGEEMM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1cc(F)cc(F)c1)C(=O)OCC ZINC001288358394 1381794040 /nfs/dbraw/zinc/79/40/40/1381794040.db2.gz YKSRHQOUCMSYAT-ZDUSSCGKSA-N -1 1 347.308 3.071 10 30 EGEEMM N#C[C@]1(NC(=O)c2c([O-])cccc2Cl)CCc2ccccc2C1 ZINC001296580935 1383028982 /nfs/dbraw/zinc/02/89/82/1383028982.db2.gz MBALBUVGSLKZSP-SFHVURJKSA-N -1 1 326.783 3.227 10 30 EGEEMM C=C1CCC(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)CC1 ZINC001311062843 1384255054 /nfs/dbraw/zinc/25/50/54/1384255054.db2.gz KBJDDZGDHKCBJM-UHFFFAOYSA-N -1 1 326.400 3.446 10 30 EGEEMM C=CCCOC(=O)[C@H](C)OC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC001343712366 1390732754 /nfs/dbraw/zinc/73/27/54/1390732754.db2.gz UDICWJUDOXYDLU-VIFPVBQESA-N -1 1 338.310 3.165 10 30 EGEEMM O=C1C(=O)N(c2cccnc2)[C@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000020314991 212118977 /nfs/dbraw/zinc/11/89/77/212118977.db2.gz HOTKFMRFMOLFBQ-QGZVFWFLSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2cccnc2)[C@@H]1c1ccccc1 ZINC000020314991 212118979 /nfs/dbraw/zinc/11/89/79/212118979.db2.gz HOTKFMRFMOLFBQ-QGZVFWFLSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2cccnc2)[C@H]1c1ccccc1 ZINC000020314996 212118645 /nfs/dbraw/zinc/11/86/45/212118645.db2.gz HOTKFMRFMOLFBQ-KRWDZBQOSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C1C(=O)N(c2ccccn2)[C@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000020315001 212118719 /nfs/dbraw/zinc/11/87/19/212118719.db2.gz PWYFMPQWJQBAGC-QGZVFWFLSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C(c1ccco1)C1=C([O-])C(=O)N(c2ccccn2)[C@@H]1c1ccccc1 ZINC000020315001 212118720 /nfs/dbraw/zinc/11/87/20/212118720.db2.gz PWYFMPQWJQBAGC-QGZVFWFLSA-N -1 1 346.342 3.458 10 30 EGEEMM O=C1C(=O)N(c2cccnc2)[C@@H](c2ccccc2)C1=C([O-])c1ccco1 ZINC000020314996 212118643 /nfs/dbraw/zinc/11/86/43/212118643.db2.gz HOTKFMRFMOLFBQ-KRWDZBQOSA-N -1 1 346.342 3.458 10 30 EGEEMM CSc1[n-]c(=O)c(C(=O)Nc2cccc3ccn(C)c32)cc1C#N ZINC000351746788 144300850 /nfs/dbraw/zinc/30/08/50/144300850.db2.gz TXYCQPBFBMYQNV-UHFFFAOYSA-N -1 1 338.392 3.125 10 30 EGEEMM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)c(F)c3)cc2s1 ZINC000427798206 268080159 /nfs/dbraw/zinc/08/01/59/268080159.db2.gz NHSZBWKITJSWAX-UHFFFAOYSA-N -1 1 347.396 3.416 10 30 EGEEMM N#Cc1ccc(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)cc1[O-] ZINC000447711246 268203363 /nfs/dbraw/zinc/20/33/63/268203363.db2.gz WBZHMDYBGKPDBO-CQSZACIVSA-N -1 1 338.260 3.278 10 30 EGEEMM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000339121034 456950565 /nfs/dbraw/zinc/95/05/65/456950565.db2.gz WOMOEQHOMVLVIK-GFCCVEGCSA-N -1 1 348.362 3.060 10 30 EGEEMM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000443420875 457764319 /nfs/dbraw/zinc/76/43/19/457764319.db2.gz AEQJLCZZPYBCJR-UHFFFAOYSA-N -1 1 335.381 3.206 10 30 EGEEMM Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(C#N)c([O-])c1 ZINC000442800517 459038455 /nfs/dbraw/zinc/03/84/55/459038455.db2.gz KDVWOPWKXFVDOK-LLVKDONJSA-N -1 1 326.400 3.015 10 30 EGEEMM 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C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183333573 1387299841 /nfs/dbraw/zinc/29/98/41/1387299841.db2.gz NKDNMFQELWDBED-APPDUMDISA-N -1 1 346.814 3.305 10 30 EGEEMM CSc1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1C#N ZINC001303626025 1383810689 /nfs/dbraw/zinc/81/06/89/1383810689.db2.gz QXHXWZNHFWESAS-UHFFFAOYSA-N -1 1 349.415 3.464 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc3ccccc3c2)o1 ZINC000344773455 144223017 /nfs/dbraw/zinc/22/30/17/144223017.db2.gz KZPXKKHIAQFUEI-DLBZAZTESA-N -1 1 338.388 3.139 10 30 EGEEMM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cccc(Cl)c3)C2)o1 ZINC000367877103 168278772 /nfs/dbraw/zinc/27/87/72/168278772.db2.gz YMNLWACURCENMZ-AULYBMBSSA-N -1 1 336.800 3.029 10 30 EGEEMM CCCc1cc(=O)[n-]c(SCc2c(C#N)cccc2[N+](=O)[O-])n1 ZINC000412978556 267042538 /nfs/dbraw/zinc/04/25/38/267042538.db2.gz OEGUVVPOSXXTIJ-UHFFFAOYSA-N -1 1 330.369 3.207 10 30 EGEEMM COC(=O)c1coc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000545337715 314757983 /nfs/dbraw/zinc/75/79/83/314757983.db2.gz GPHVVKIBPGEZPT-VIFPVBQESA-N -1 1 344.392 3.376 10 30 EGEEMM Cc1cc(C#N)cnc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000560420677 315686226 /nfs/dbraw/zinc/68/62/26/315686226.db2.gz AOIYQXJRZQCXDD-UHFFFAOYSA-N -1 1 337.257 3.118 10 30 EGEEMM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000153569059 454807328 /nfs/dbraw/zinc/80/73/28/454807328.db2.gz KKGULOYSDVHWRG-QMTHXVAHSA-N -1 1 330.812 3.230 10 30 EGEEMM CCCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)[nH]n1 ZINC000159936645 455416460 /nfs/dbraw/zinc/41/64/60/455416460.db2.gz MHJZJXMBTFOVDM-UHFFFAOYSA-N -1 1 338.820 3.078 10 30 EGEEMM C=C(C)CN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000358628424 458116298 /nfs/dbraw/zinc/11/62/98/458116298.db2.gz DHVZQDKTXBJMNP-UHFFFAOYSA-N -1 1 333.391 3.142 10 30 EGEEMM Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000358805593 458228328 /nfs/dbraw/zinc/22/83/28/458228328.db2.gz VTHVMVLYXZVTMF-UHFFFAOYSA-N -1 1 346.799 3.197 10 30 EGEEMM N#CC(=C([O-])c1ccc(N2CCCC2)nn1)c1nccc2ccccc21 ZINC000583668938 459577546 /nfs/dbraw/zinc/57/75/46/459577546.db2.gz TYNIMFDPHOVFJG-INIZCTEOSA-N -1 1 343.390 3.115 10 30 EGEEMM N#C[C@H](NC(=O)c1ccc([O-])c(F)c1)c1ccc(Br)cc1 ZINC000613447684 460952802 /nfs/dbraw/zinc/95/28/02/460952802.db2.gz UBPOVGDIQFOMHE-ZDUSSCGKSA-N -1 1 349.159 3.288 10 30 EGEEMM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c([O-])cnc2ccc(Cl)cc21 ZINC001183333576 1387299984 /nfs/dbraw/zinc/29/99/84/1387299984.db2.gz NKDNMFQELWDBED-PIGZYNQJSA-N -1 1 346.814 3.305 10 30 EGEEMM C=CCn1c(-c2nc(Cl)n[n-]2)nnc1N1CCCC2(CCCC2)C1 ZINC001121716283 1372057524 /nfs/dbraw/zinc/05/75/24/1372057524.db2.gz GBNZNNCMIAABII-UHFFFAOYSA-N -1 1 347.854 3.063 10 30 EGEEMM C=CCC[C@H](NC(=O)c1ccc2ccccc2c1[O-])C(=O)OCC ZINC001298020921 1383336184 /nfs/dbraw/zinc/33/61/84/1383336184.db2.gz OITKORAJGPLZMA-INIZCTEOSA-N -1 1 327.380 3.173 10 30 EGEEMM C#CCN(C(=O)NCCc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC001313336052 1384411406 /nfs/dbraw/zinc/41/14/06/1384411406.db2.gz RJIJMDJCMQYKQI-UHFFFAOYSA-N -1 1 336.382 3.190 10 30 EGEEMM C#Cc1ccc(NC(=O)c2cc(NC(C)=O)ccc2[O-])c(Cl)c1 ZINC001179656079 1386541740 /nfs/dbraw/zinc/54/17/40/1386541740.db2.gz NYJSTFUGOUZGJB-UHFFFAOYSA-N -1 1 328.755 3.238 10 30 EGEEMM