smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000443130692 267222865 /nfs/dbraw/zinc/22/28/65/267222865.db2.gz NRFINZFNSWXYGK-NSHDSACASA-N -1 3 341.845 3.098 10 30 EGEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)o3)c2)n1 ZINC000428170223 267245886 /nfs/dbraw/zinc/24/58/86/267245886.db2.gz KMJKKFPQNHLFBR-UHFFFAOYSA-N -1 3 334.335 3.129 10 30 EGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000067951206 307368586 /nfs/dbraw/zinc/36/85/86/307368586.db2.gz GEMDSTRNSGPFES-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM COc1ccc(O[C@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073974550 454510265 /nfs/dbraw/zinc/51/02/65/454510265.db2.gz FTIWGCULDFZUAF-SNVBAGLBSA-N -1 3 328.328 3.129 10 30 EGEEHM COc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073974550 454510272 /nfs/dbraw/zinc/51/02/72/454510272.db2.gz FTIWGCULDFZUAF-SNVBAGLBSA-N -1 3 328.328 3.129 10 30 EGEEHM COc1ccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073974550 454510276 /nfs/dbraw/zinc/51/02/76/454510276.db2.gz FTIWGCULDFZUAF-SNVBAGLBSA-N -1 3 328.328 3.129 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C#N)cc3C)cc2)n1 ZINC000162986462 454814852 /nfs/dbraw/zinc/81/48/52/454814852.db2.gz DHZLMZWFEVMYKE-UHFFFAOYSA-N -1 3 344.374 3.178 10 30 EGEEHM N#CC1(c2ccc(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)cc2)CC1 ZINC000181887404 455395093 /nfs/dbraw/zinc/39/50/93/455395093.db2.gz OSGRRKHVJASMHJ-UHFFFAOYSA-N -1 3 347.353 3.418 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H](CC(=O)OCC)c1ccc(F)cc1 ZINC000293959783 455802345 /nfs/dbraw/zinc/80/23/45/455802345.db2.gz CIWQCJSTZWBEHR-CYBMUJFWSA-N -1 3 329.318 3.148 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)n1 ZINC000297887297 456317439 /nfs/dbraw/zinc/31/74/39/456317439.db2.gz QBNYJWIFTYUBMT-VHSXEESVSA-N -1 3 329.429 3.169 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000282558209 456552857 /nfs/dbraw/zinc/55/28/57/456552857.db2.gz OBOSLAJDISBQLE-UHFFFAOYSA-N -1 3 330.812 3.087 10 30 EGEEHM COCc1c2ccccc2oc1C(=O)[N-]c1snc(C)c1C#N ZINC000339171865 456975519 /nfs/dbraw/zinc/97/55/19/456975519.db2.gz SCOLBSMSWUOJCX-UHFFFAOYSA-N -1 3 327.365 3.468 10 30 EGEEHM N#Cc1ccc(Nc2cccc(C(=O)NCc3ncccc3[O-])c2)cc1 ZINC000352498926 457419103 /nfs/dbraw/zinc/41/91/03/457419103.db2.gz CHGQMCWCTOENMX-UHFFFAOYSA-N -1 3 344.374 3.332 10 30 EGEEHM N#C[C@@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000352688566 457532205 /nfs/dbraw/zinc/53/22/05/457532205.db2.gz DYCOOLOFZVXTTL-LLVKDONJSA-N -1 3 326.224 3.377 10 30 EGEEHM C=CCOc1ccccc1CNC[C@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426646560 457870484 /nfs/dbraw/zinc/87/04/84/457870484.db2.gz JVUIXFFZJYBKJI-SFHVURJKSA-N -1 3 345.370 3.012 10 30 EGEEHM C=CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CC1 ZINC000444350210 457890609 /nfs/dbraw/zinc/89/06/09/457890609.db2.gz DQFCWERPBAPANF-UHFFFAOYSA-N -1 3 347.212 3.081 10 30 EGEEHM CCN=c1[n-]c(C(=O)N[C@H](CCCC#N)c2ccccc2)cs1 ZINC000452138476 458495248 /nfs/dbraw/zinc/49/52/48/458495248.db2.gz IZLJZSCWXFVBSY-CQSZACIVSA-N -1 3 328.441 3.162 10 30 EGEEHM Cc1cc(C)cc(-c2cc(=NC(=O)CNc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000512541097 458785718 /nfs/dbraw/zinc/78/57/18/458785718.db2.gz QTHKMLRZUYGZQR-UHFFFAOYSA-N -1 3 345.406 3.038 10 30 EGEEHM N#Cc1c([N-]C(=O)c2cn(C3CCC3)nn2)sc2c1CCCC2 ZINC000592572044 459632208 /nfs/dbraw/zinc/63/22/08/459632208.db2.gz DEWIHWONMHFEGR-UHFFFAOYSA-N -1 3 327.413 3.067 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000593278026 459827171 /nfs/dbraw/zinc/82/71/71/459827171.db2.gz CVWGERBGMQCUNH-LBPRGKRZSA-N -1 3 334.363 3.107 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OC)cc1 ZINC000593526877 459915755 /nfs/dbraw/zinc/91/57/55/459915755.db2.gz ZARZZMZUUKTXMO-ZDUSSCGKSA-N -1 3 336.438 3.058 10 30 EGEEHM C=CC[C@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000636320663 461097270 /nfs/dbraw/zinc/09/72/70/461097270.db2.gz QDTJREDYMCMFAA-KRWDZBQOSA-N -1 3 337.423 3.426 10 30 EGEEHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000732214694 575245847 /nfs/dbraw/zinc/24/58/47/575245847.db2.gz PFJKJUFJCVRYAA-UHFFFAOYSA-N -1 3 339.376 3.025 10 30 EGEEHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028576 576819197 /nfs/dbraw/zinc/81/91/97/576819197.db2.gz KGVACWYCDGXINQ-FJOGCWAESA-N -1 3 332.787 3.271 10 30 EGEEHM N#Cc1ccc(SCc2nc3c(c(=O)[n-]2)COCC3)c(Cl)c1 ZINC000865359960 1329688759 /nfs/dbraw/zinc/68/87/59/1329688759.db2.gz ZXAKJNTXQWGDKK-UHFFFAOYSA-N -1 3 333.800 3.072 10 30 EGEEHM CC(=O)Nc1ccc(CC(=O)N([O-])Cc2ccccc2Cl)cc1 ZINC001184283835 1387422640 /nfs/dbraw/zinc/42/26/40/1387422640.db2.gz SAVWJXORWVOREZ-UHFFFAOYSA-N -1 3 332.787 3.259 10 30 EGEEHM N#Cc1ccc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c([N+](=O)[O-])c1 ZINC001187872533 1388181365 /nfs/dbraw/zinc/18/13/65/1388181365.db2.gz ZJPCEMDOBFZJIJ-JOCQHMNTSA-N -1 3 339.355 3.100 10 30 EGEEHM CC(C)(C)c1ccc(-c2nc([N-]C(=O)c3coc(C#N)c3)n[nH]2)cc1 ZINC001142839712 1378493313 /nfs/dbraw/zinc/49/33/13/1378493313.db2.gz QMSSKGGTEHUKGI-UHFFFAOYSA-N -1 3 335.367 3.486 10 30 EGEEHM C=CCCCC(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001285801932 1380523813 /nfs/dbraw/zinc/52/38/13/1380523813.db2.gz RTDMGCHFJDOXAI-RDJZCZTQSA-N -1 3 344.455 3.153 10 30 EGEEHM Cn1c(=O)cc(C(=O)N([O-])Cc2ccccc2Cl)c2ccccc21 ZINC001161802341 1382511000 /nfs/dbraw/zinc/51/10/00/1382511000.db2.gz RUDXMVPRYJIQIY-UHFFFAOYSA-N -1 3 342.782 3.224 10 30 EGEEHM CCCCCCN([O-])C(=O)CNC(=O)Cc1cccc2ccccc21 ZINC001161818995 1382519910 /nfs/dbraw/zinc/51/99/10/1382519910.db2.gz KMGSYYDUPKMPAX-UHFFFAOYSA-N -1 3 342.439 3.297 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC001161826860 1382523251 /nfs/dbraw/zinc/52/32/51/1382523251.db2.gz NNTBRVNJGWBKSN-KRWDZBQOSA-N -1 3 332.444 3.284 10 30 EGEEHM C#CCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CSC1 ZINC001166131163 1383393063 /nfs/dbraw/zinc/39/30/63/1383393063.db2.gz GHTDFJDLSRVSOL-UHFFFAOYSA-N -1 3 337.444 3.174 10 30 EGEEHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001300211680 1383652683 /nfs/dbraw/zinc/65/26/83/1383652683.db2.gz ZPNYEYIRMMSJMO-KKUMJFAQSA-N -1 3 340.464 3.472 10 30 EGEEHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001300211682 1383653320 /nfs/dbraw/zinc/65/33/20/1383653320.db2.gz ZPNYEYIRMMSJMO-RRFJBIMHSA-N -1 3 340.464 3.472 10 30 EGEEHM C=CCCC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001303115693 1383783737 /nfs/dbraw/zinc/78/37/37/1383783737.db2.gz QNGOUBZCSNJTIJ-INIZCTEOSA-N -1 3 348.410 3.089 10 30 EGEEHM C=CCCC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001303115693 1383783741 /nfs/dbraw/zinc/78/37/41/1383783741.db2.gz QNGOUBZCSNJTIJ-INIZCTEOSA-N -1 3 348.410 3.089 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC001306897116 1383916786 /nfs/dbraw/zinc/91/67/86/1383916786.db2.gz ZIVZVDHECPKRRC-INIZCTEOSA-N -1 3 332.444 3.400 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001335891931 1388960728 /nfs/dbraw/zinc/96/07/28/1388960728.db2.gz OHHGGDPAWAOIIQ-AWEZNQCLSA-N -1 3 332.444 3.009 10 30 EGEEHM C#CC[C@@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001336711052 1389143062 /nfs/dbraw/zinc/14/30/62/1389143062.db2.gz MKLHMDHFPXOSHZ-MRXNPFEDSA-N -1 3 340.448 3.337 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccsc2[C@H]1C ZINC001340380008 1390279850 /nfs/dbraw/zinc/27/98/50/1390279850.db2.gz KPPMHJIDWRZBNW-SNVBAGLBSA-N -1 3 343.412 3.010 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1C[C@H](C)CCN1C(=O)c1ccccc1[O-] ZINC001344459881 1390792776 /nfs/dbraw/zinc/79/27/76/1390792776.db2.gz IELHRFXCGDNQCD-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001494109107 1396365723 /nfs/dbraw/zinc/36/57/23/1396365723.db2.gz APORBRNFLUCVOE-MQVJKMGUSA-N -1 3 342.439 3.000 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720572568 1422713111 /nfs/dbraw/zinc/71/31/11/1422713111.db2.gz FYYPHBFJKVFWKM-GOEBONIOSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C[C@H](CC)CC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001725931786 1426626992 /nfs/dbraw/zinc/62/69/92/1426626992.db2.gz AORJMDLXKOVPJB-OAHLLOKOSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001740050006 1439459627 /nfs/dbraw/zinc/45/96/27/1439459627.db2.gz NUHFHTFCSBHPQZ-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001759415279 1441281380 /nfs/dbraw/zinc/28/13/80/1441281380.db2.gz ZUKJBYUUCGMNFI-QKPAOTATSA-N -1 3 344.455 3.008 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000103056343 219251348 /nfs/dbraw/zinc/25/13/48/219251348.db2.gz GPDBKKOADQWVPJ-CRAIPNDOSA-N -1 3 343.471 3.127 10 30 EGEEHM CNc1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000028913240 202178441 /nfs/dbraw/zinc/17/84/41/202178441.db2.gz QNHFUKZJBDUXHD-QPJJXVBHSA-N -1 3 328.324 3.247 10 30 EGEEHM N/C(=N\[O-])c1cccc(COc2ccc(Br)cc2F)c1 ZINC000034957330 202281914 /nfs/dbraw/zinc/28/19/14/202281914.db2.gz KAYBKHVLQWDOGG-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000336852726 154219009 /nfs/dbraw/zinc/21/90/09/154219009.db2.gz XDZVVRCIRMKDGJ-UHFFFAOYSA-N -1 3 326.299 3.085 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2cc(F)cc(F)c2Br)o1 ZINC000429879164 268204911 /nfs/dbraw/zinc/20/49/11/268204911.db2.gz JIHDCHYNXJDAIB-UHFFFAOYSA-N -1 3 327.084 3.444 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C2CCC2)CCC1 ZINC000556699567 315454154 /nfs/dbraw/zinc/45/41/54/315454154.db2.gz OFKHJZGNIQZOCM-UHFFFAOYSA-N -1 3 341.455 3.295 10 30 EGEEHM CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=S)N/N=C/c1ccc(O)cc1[O-] ZINC000000138042 452516886 /nfs/dbraw/zinc/51/68/86/452516886.db2.gz YAJSTXFZGRWOCX-CJNFVSCISA-N -1 3 347.484 3.111 10 30 EGEEHM N#C/C(=N\[N-]c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000165988 452525100 /nfs/dbraw/zinc/52/51/00/452525100.db2.gz HVZJIRSUEDKKGG-XMHGGMMESA-N -1 3 337.763 3.202 10 30 EGEEHM Cc1nn(C)c2nc(C(C)C)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000041482299 453968545 /nfs/dbraw/zinc/96/85/45/453968545.db2.gz NNSASTBUGRQKPO-AWEZNQCLSA-N -1 3 333.395 3.285 10 30 EGEEHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc2ccccc2s1 ZINC000041503022 453969213 /nfs/dbraw/zinc/96/92/13/453969213.db2.gz MSBVYNFSLWMRDR-CQSZACIVSA-N -1 3 345.387 3.367 10 30 EGEEHM CC(=O)C(N=Nc1cc(Cl)ccc1Cl)=C([O-])C(F)(F)F ZINC000252620712 455824008 /nfs/dbraw/zinc/82/40/08/455824008.db2.gz MKGQRRXMQANXOD-UHFFFAOYSA-N -1 3 327.089 3.482 10 30 EGEEHM CC([O-])=C(N=Nc1cc(Cl)ccc1Cl)C(=O)C(F)(F)F ZINC000252620712 455824012 /nfs/dbraw/zinc/82/40/12/455824012.db2.gz MKGQRRXMQANXOD-UHFFFAOYSA-N -1 3 327.089 3.482 10 30 EGEEHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)n1 ZINC000353855175 456937755 /nfs/dbraw/zinc/93/77/55/456937755.db2.gz AYRUNAZQWPYXSX-CQSZACIVSA-N -1 3 337.408 3.337 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c1 ZINC000356596690 457074802 /nfs/dbraw/zinc/07/48/02/457074802.db2.gz QMYHFBUTELRKHN-MRXNPFEDSA-N -1 3 347.827 3.036 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c([O-])c2O1 ZINC000436754639 458374635 /nfs/dbraw/zinc/37/46/35/458374635.db2.gz JHTPIRFJYOSQRX-HNNXBMFYSA-N -1 3 340.354 3.239 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000451736308 458486567 /nfs/dbraw/zinc/48/65/67/458486567.db2.gz OHTDALLZEOPWER-JSGCOSHPSA-N -1 3 347.465 3.171 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(CC)c1-c1ccc2c(c1)OCO2 ZINC000469300814 458565332 /nfs/dbraw/zinc/56/53/32/458565332.db2.gz UTFUBOMQCLWMMO-GFCCVEGCSA-N -1 3 341.411 3.331 10 30 EGEEHM C[C@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424409458 458634927 /nfs/dbraw/zinc/63/49/27/458634927.db2.gz GNHYYRGRQVYXGQ-IINYFYTJSA-N -1 3 326.318 3.262 10 30 EGEEHM C=CCOCCCC(=O)N=c1cc(-c2ccc(CCC)cc2)[n-][nH]1 ZINC000439068944 458649029 /nfs/dbraw/zinc/64/90/29/458649029.db2.gz UNLULGGDGUUWPX-UHFFFAOYSA-N -1 3 327.428 3.372 10 30 EGEEHM CN(C(=O)Cc1ccc(Br)cc1[O-])c1cccc(C#N)c1 ZINC000567563388 459124370 /nfs/dbraw/zinc/12/43/70/459124370.db2.gz VEVKJTHJLJWHMG-UHFFFAOYSA-N -1 3 345.196 3.232 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3ccccc3F)CCC2)s1 ZINC000592073888 459520787 /nfs/dbraw/zinc/52/07/87/459520787.db2.gz QZYULLLVPBSLSX-UHFFFAOYSA-N -1 3 336.413 3.117 10 30 EGEEHM CCOc1cc(CN2CC[C@](C)(C#N)C2)cc(Br)c1[O-] ZINC000597233058 459886305 /nfs/dbraw/zinc/88/63/05/459886305.db2.gz ZPQCRSXOAXBEIU-OAHLLOKOSA-N -1 3 339.233 3.289 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC1CC1)CC1CC1 ZINC000598466989 459904854 /nfs/dbraw/zinc/90/48/54/459904854.db2.gz ZCCQPVIFQAEWCF-UHFFFAOYSA-N -1 3 341.455 3.247 10 30 EGEEHM CC(C)(C#N)C[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593576026 459925609 /nfs/dbraw/zinc/92/56/09/459925609.db2.gz NSFCZKZNRXRXOU-UHFFFAOYSA-N -1 3 327.258 3.024 10 30 EGEEHM C=CCCOCCCCC(=O)NCc1ccc([O-])c2ncccc12 ZINC000616023730 460453872 /nfs/dbraw/zinc/45/38/72/460453872.db2.gz VEXVVIYFQWNZKD-UHFFFAOYSA-N -1 3 328.412 3.320 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)c1 ZINC000641410214 461239996 /nfs/dbraw/zinc/23/99/96/461239996.db2.gz BMKJTHKGPXTTSL-CYBMUJFWSA-N -1 3 331.384 3.284 10 30 EGEEHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000634197752 461468791 /nfs/dbraw/zinc/46/87/91/461468791.db2.gz LQZLTFZGUANIIN-PKOBYXMFSA-N -1 3 348.402 3.387 10 30 EGEEHM C=CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@H](C)COC ZINC000661243889 462167756 /nfs/dbraw/zinc/16/77/56/462167756.db2.gz PDMUTRHGIWLSLS-GFCCVEGCSA-N -1 3 327.384 3.105 10 30 EGEEHM N#Cc1ccc(OC2CCN(C(=O)c3cc([O-])cs3)CC2)cc1 ZINC000732286956 575255272 /nfs/dbraw/zinc/25/52/72/575255272.db2.gz MKZHNJPNRAKUJW-UHFFFAOYSA-N -1 3 328.393 3.009 10 30 EGEEHM Cc1ncc(CO)c(/C=N\Cc2ccc(-c3cccnc3)cc2)c1[O-] ZINC000743045613 576800627 /nfs/dbraw/zinc/80/06/27/576800627.db2.gz QNOVMFIZGHEQKA-UUYOSTAYSA-N -1 3 333.391 3.269 10 30 EGEEHM C=CC[C@H]1CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000890558815 1304815664 /nfs/dbraw/zinc/81/56/64/1304815664.db2.gz HNVQTQAHPMEGNV-NSHDSACASA-N -1 3 347.212 3.081 10 30 EGEEHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000919747667 1322102639 /nfs/dbraw/zinc/10/26/39/1322102639.db2.gz PUQDSNXCWNSMOY-UHFFFAOYSA-N -1 3 341.386 3.223 10 30 EGEEHM CC[C@H](/N=C/c1c([O-])c(C)ncc1CO)c1cccc(OC)c1OC ZINC000864347112 1329609038 /nfs/dbraw/zinc/60/90/38/1329609038.db2.gz KNTTWVSLIAVEBN-CTJICSLTSA-N -1 3 344.411 3.175 10 30 EGEEHM C=C(C)C[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)OC ZINC000864347082 1329609159 /nfs/dbraw/zinc/60/91/59/1329609159.db2.gz JWSXQLPAWKAPLZ-VJMCZWTHSA-N -1 3 326.190 3.081 10 30 EGEEHM CCCCCCN([O-])C(=O)c1nn(-c2ccccc2F)c(C)cc1=O ZINC001184305540 1387424947 /nfs/dbraw/zinc/42/49/47/1387424947.db2.gz LDJQLEIFUPPARC-UHFFFAOYSA-N -1 3 347.390 3.092 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001281318778 1378416156 /nfs/dbraw/zinc/41/61/56/1378416156.db2.gz RFQBWKPRYQQZGG-OXQOHEQNSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001286930934 1381140028 /nfs/dbraw/zinc/14/00/28/1381140028.db2.gz XPYQJPSCJOUIHH-CQSZACIVSA-N -1 3 332.444 3.009 10 30 EGEEHM O=C(c1csc(-c2ncc[nH]2)n1)N([O-])Cc1ccccc1Cl ZINC001161807757 1382513623 /nfs/dbraw/zinc/51/36/23/1382513623.db2.gz NJOWPGPPMLOUNY-UHFFFAOYSA-N -1 3 334.788 3.218 10 30 EGEEHM C#CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)CCCCC1 ZINC001299813023 1383629869 /nfs/dbraw/zinc/62/98/69/1383629869.db2.gz JYILIJXMJKYVGW-UHFFFAOYSA-N -1 3 331.416 3.277 10 30 EGEEHM C#CCC1(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)CCCCC1 ZINC001299813023 1383629873 /nfs/dbraw/zinc/62/98/73/1383629873.db2.gz JYILIJXMJKYVGW-UHFFFAOYSA-N -1 3 331.416 3.277 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC001306897117 1383916709 /nfs/dbraw/zinc/91/67/09/1383916709.db2.gz ZIVZVDHECPKRRC-MRXNPFEDSA-N -1 3 332.444 3.400 10 30 EGEEHM CCCCN([O-])C(=O)CN(C(=O)c1ccccc1)c1ccccc1 ZINC001306897665 1383917076 /nfs/dbraw/zinc/91/70/76/1383917076.db2.gz XBKWIYFGCABFNF-UHFFFAOYSA-N -1 3 326.396 3.351 10 30 EGEEHM N#Cc1cc([N+](=O)[O-])c(NCCc2c(F)cc([O-])cc2F)cc1F ZINC001307216528 1383958575 /nfs/dbraw/zinc/95/85/75/1383958575.db2.gz VFOLJGPUKDNBGX-UHFFFAOYSA-N -1 3 337.257 3.244 10 30 EGEEHM C=CCC1(C(=O)N(CC)CCCNC(=O)c2ccccc2[O-])CCC1 ZINC001352047462 1391751447 /nfs/dbraw/zinc/75/14/47/1391751447.db2.gz AYZDJFKOJGNPSU-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C[C@@H](C)[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001701149023 1414812449 /nfs/dbraw/zinc/81/24/49/1414812449.db2.gz APONZYWNZJJLEK-HUUCEWRRSA-N -1 3 346.471 3.065 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001718451218 1421991752 /nfs/dbraw/zinc/99/17/52/1421991752.db2.gz PLYXOYQFAMTMIZ-OAHLLOKOSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001718719241 1422061501 /nfs/dbraw/zinc/06/15/01/1422061501.db2.gz ZCHATCOJABWXCY-ZBFHGGJFSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001738266884 1439065088 /nfs/dbraw/zinc/06/50/88/1439065088.db2.gz UWZATHKJIIYAGO-HNNXBMFYSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCC1(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001746786635 1439942157 /nfs/dbraw/zinc/94/21/57/1439942157.db2.gz FVEXHCGRDQWBFF-MRXNPFEDSA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]Cc2cccc(C#N)c2)c(Cl)cc1F ZINC000120853096 152305505 /nfs/dbraw/zinc/30/55/05/152305505.db2.gz SOIIRVKECLHACC-UHFFFAOYSA-N -1 3 338.791 3.138 10 30 EGEEHM COc1ccc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c([O-])c1 ZINC000443568943 270052579 /nfs/dbraw/zinc/05/25/79/270052579.db2.gz SUKUGKJARHVXII-SFHVURJKSA-N -1 3 340.379 3.315 10 30 EGEEHM Cc1[nH]nc([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)c1C#N ZINC000431704957 268072278 /nfs/dbraw/zinc/07/22/78/268072278.db2.gz MKMNKVPGLIMYGR-UHFFFAOYSA-N -1 3 327.731 3.151 10 30 EGEEHM N#Cc1ccc(C2(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)CC2)cc1 ZINC000444645086 268208340 /nfs/dbraw/zinc/20/83/40/268208340.db2.gz WVTRBROZQPQFJE-UHFFFAOYSA-N -1 3 328.375 3.041 10 30 EGEEHM N#Cc1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(F)c1 ZINC000135371945 307701694 /nfs/dbraw/zinc/70/16/94/307701694.db2.gz HANOXWIQFWGBSI-UHFFFAOYSA-N -1 3 327.340 3.046 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000253558990 308034242 /nfs/dbraw/zinc/03/42/42/308034242.db2.gz VAQBXEIEZLEPII-XLWVJDPXSA-N -1 3 341.455 3.245 10 30 EGEEHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCC(F)(F)CC1 ZINC000612140224 460552541 /nfs/dbraw/zinc/55/25/41/460552541.db2.gz DBAOEBKRRDLQOS-UHFFFAOYSA-N -1 3 348.802 3.458 10 30 EGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000159979680 455420135 /nfs/dbraw/zinc/42/01/35/455420135.db2.gz DCXVYCXSIZRWRA-GFCCVEGCSA-N -1 3 341.845 3.098 10 30 EGEEHM CCOCCOCc1cccc([N-]c2ncc(C#N)cc2[N+](=O)[O-])c1 ZINC000295617772 455854806 /nfs/dbraw/zinc/85/48/06/455854806.db2.gz VZPXKKREMFHDFP-UHFFFAOYSA-N -1 3 342.355 3.158 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C1 ZINC000295734649 455858600 /nfs/dbraw/zinc/85/86/00/455858600.db2.gz MXZLRUKWKIKTSZ-IUCAKERBSA-N -1 3 338.376 3.128 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H]1CC=CCC1 ZINC000343600360 456735197 /nfs/dbraw/zinc/73/51/97/456735197.db2.gz FMAVMEWNBLWQET-OAHLLOKOSA-N -1 3 327.428 3.023 10 30 EGEEHM N#C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000354378185 457186036 /nfs/dbraw/zinc/18/60/36/457186036.db2.gz BZPUQDMXDWWDKK-INIZCTEOSA-N -1 3 337.766 3.176 10 30 EGEEHM COc1cc2c(cc1C([O-])=C(C#N)c1nc(C(C)C)cs1)OCO2 ZINC000354353691 457186533 /nfs/dbraw/zinc/18/65/33/457186533.db2.gz QNJBGUHMRQALLQ-LLVKDONJSA-N -1 3 344.392 3.494 10 30 EGEEHM CC[C@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000356973017 457251030 /nfs/dbraw/zinc/25/10/30/457251030.db2.gz FQLBIXUUZBYMQL-LURJTMIESA-N -1 3 331.203 3.048 10 30 EGEEHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443562255 457780084 /nfs/dbraw/zinc/78/00/84/457780084.db2.gz URVZEGLYASJJNZ-CQSZACIVSA-N -1 3 333.306 3.458 10 30 EGEEHM C=CCOc1ccc(CNC[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426630431 457866318 /nfs/dbraw/zinc/86/63/18/457866318.db2.gz URUGEWRXPUEXDG-SFHVURJKSA-N -1 3 345.370 3.012 10 30 EGEEHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000435590055 458167298 /nfs/dbraw/zinc/16/72/98/458167298.db2.gz UNOGOXVPUKHZPE-ABAIWWIYSA-N -1 3 347.839 3.047 10 30 EGEEHM N#Cc1ccc(CS(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)c1 ZINC000577322298 459015068 /nfs/dbraw/zinc/01/50/68/459015068.db2.gz NVNDLQXXYHOMQP-UHFFFAOYSA-N -1 3 344.367 3.063 10 30 EGEEHM COc1ccccc1[C@@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC000594689709 459130274 /nfs/dbraw/zinc/13/02/74/459130274.db2.gz DWTPICVNHRWWOC-GOSISDBHSA-N -1 3 336.391 3.166 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)s1 ZINC000558784752 459210482 /nfs/dbraw/zinc/21/04/82/459210482.db2.gz LIQFHKODGLXUIP-UHFFFAOYSA-N -1 3 332.450 3.092 10 30 EGEEHM N#CCCC[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000580211142 459257593 /nfs/dbraw/zinc/25/75/93/459257593.db2.gz OHWBMOUPFLBXEB-HNNXBMFYSA-N -1 3 336.395 3.225 10 30 EGEEHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CCC4)nn3)sc2C1 ZINC000592572131 459632678 /nfs/dbraw/zinc/63/26/78/459632678.db2.gz FTIKZVGSEFFLHT-JTQLQIEISA-N -1 3 341.440 3.313 10 30 EGEEHM Cc1cc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)ccc1[O-] ZINC000499571060 459640192 /nfs/dbraw/zinc/64/01/92/459640192.db2.gz KZEFUKLWBINFFA-CQSZACIVSA-N -1 3 345.196 3.458 10 30 EGEEHM CC(=O)Nc1ccc([O-])c(C(C)=NNCCCOc2ccccc2)c1 ZINC000729147467 574818554 /nfs/dbraw/zinc/81/85/54/574818554.db2.gz CYZGGQBGIKBNQK-UHFFFAOYSA-N -1 3 341.411 3.133 10 30 EGEEHM COc1cccc(N2CCC[C@@H](/N=C/c3c([O-])cccc3OC)C2)c1 ZINC000735228317 575619632 /nfs/dbraw/zinc/61/96/32/575619632.db2.gz AIQDTKLEVMINRS-NWGMWSOJSA-N -1 3 340.423 3.497 10 30 EGEEHM [O-]c1ccc(Br)cc1/C=N/CC1(O)Cc2ccccc2C1 ZINC000737443080 576230493 /nfs/dbraw/zinc/23/04/93/576230493.db2.gz HFFSQZWTGAAFGS-VXLYETTFSA-N -1 3 346.224 3.104 10 30 EGEEHM C=CCc1cccc(C(C)C)c1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000879353417 1300498778 /nfs/dbraw/zinc/49/87/78/1300498778.db2.gz HKVZGSWAIQCJQC-OAHLLOKOSA-N -1 3 331.416 3.040 10 30 EGEEHM C=CC[S@@](=O)(=NC([O-])=C(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000891383254 1305036954 /nfs/dbraw/zinc/03/69/54/1305036954.db2.gz XYONAZADKAJECW-ZLOXQWCVSA-N -1 3 337.441 3.204 10 30 EGEEHM C=CCCC[C@@H](C(=O)NCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000898258932 1310649677 /nfs/dbraw/zinc/64/96/77/1310649677.db2.gz XUAPGFBBLKUYFG-MRXNPFEDSA-N -1 3 325.412 3.247 10 30 EGEEHM CCCCCCN([O-])C(=O)c1nn(C(C)C)c(=O)c2ccccc21 ZINC001184305993 1387425072 /nfs/dbraw/zinc/42/50/72/1387425072.db2.gz ZMMFVGUHPVOQID-UHFFFAOYSA-N -1 3 331.416 3.389 10 30 EGEEHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1 ZINC001188426856 1388307785 /nfs/dbraw/zinc/30/77/85/1388307785.db2.gz JIIXDNLAQJGSLD-ZDUSSCGKSA-N -1 3 338.379 3.346 10 30 EGEEHM C=CCSc1ccccc1C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001132572103 1375472200 /nfs/dbraw/zinc/47/22/00/1375472200.db2.gz HFUKGULEIWAOIJ-UHFFFAOYSA-N -1 3 327.409 3.053 10 30 EGEEHM N#Cc1cc([N-]C(=O)c2csc(-c3ncccn3)n2)c(F)cc1F ZINC001132690183 1375516054 /nfs/dbraw/zinc/51/60/54/1375516054.db2.gz WAITYMFUQGUPCD-UHFFFAOYSA-N -1 3 343.318 3.002 10 30 EGEEHM C=CCCO[N-]C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001149452260 1379383978 /nfs/dbraw/zinc/38/39/78/1379383978.db2.gz QAJHIXFTLNTLHB-LSDHHAIUSA-N -1 3 340.464 3.474 10 30 EGEEHM C=C(C)c1cccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])c1 ZINC001158610564 1381320478 /nfs/dbraw/zinc/32/04/78/1381320478.db2.gz ZNBGEJLOICBVMJ-UHFFFAOYSA-N -1 3 338.407 3.492 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001288786351 1381938943 /nfs/dbraw/zinc/93/89/43/1381938943.db2.gz RCQFGUQAIPCIKW-LJQANCHMSA-N -1 3 344.455 3.011 10 30 EGEEHM N#Cc1cccc(O[N-]C(=O)CCc2ccc(OC(F)F)cc2)c1 ZINC001302371822 1383750631 /nfs/dbraw/zinc/75/06/31/1383750631.db2.gz NWOUWLVCWXOJNW-UHFFFAOYSA-N -1 3 332.306 3.202 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H]1CCOc2ccc(Br)cc21 ZINC001306897583 1383916579 /nfs/dbraw/zinc/91/65/79/1383916579.db2.gz SWGGWDINXIUUOB-LLVKDONJSA-N -1 3 328.206 3.333 10 30 EGEEHM C=CCn1cnnc1SCc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001317717215 1385419367 /nfs/dbraw/zinc/41/93/67/1385419367.db2.gz IPQXUCDSSBQQHJ-UHFFFAOYSA-N -1 3 339.380 3.151 10 30 EGEEHM C=CCC[C@@H]1CCCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001351334200 1391628619 /nfs/dbraw/zinc/62/86/19/1391628619.db2.gz RTVVANQEANCREY-GFCCVEGCSA-N -1 3 347.854 3.062 10 30 EGEEHM C=CCC[C@@H]1CCCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001351334200 1391628620 /nfs/dbraw/zinc/62/86/20/1391628620.db2.gz RTVVANQEANCREY-GFCCVEGCSA-N -1 3 347.854 3.062 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001704605439 1416615064 /nfs/dbraw/zinc/61/50/64/1416615064.db2.gz GHYRNXWFQCJTPP-HOTGVXAUSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCC1(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001704839926 1416795028 /nfs/dbraw/zinc/79/50/28/1416795028.db2.gz YYIWQFADTGGCGB-MRXNPFEDSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001735130143 1438391779 /nfs/dbraw/zinc/39/17/79/1438391779.db2.gz ZHEZHEKQZUZKMC-MRXNPFEDSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCC(C)(C)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001737629966 1438844373 /nfs/dbraw/zinc/84/43/73/1438844373.db2.gz GYZUCTPXBOKOTL-HNNXBMFYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCC1(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001739216640 1439305734 /nfs/dbraw/zinc/30/57/34/1439305734.db2.gz RZLZXJWEKQZHSS-HUUCEWRRSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C1CCC(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001759531873 1441305035 /nfs/dbraw/zinc/30/50/35/1441305035.db2.gz FOKLCGFLPKEKNL-QGZVFWFLSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(/C=C/c2ccco2)s1 ZINC000344484231 141163375 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CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000618606491 460084404 /nfs/dbraw/zinc/08/44/04/460084404.db2.gz NDHVOYHTGNUAEW-LBPRGKRZSA-N -1 3 335.256 3.351 10 30 EGEEHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc(C#N)c1 ZINC000610366453 460136610 /nfs/dbraw/zinc/13/66/10/460136610.db2.gz CFVGSFORDBFAFH-LBPRGKRZSA-N -1 3 336.391 3.468 10 30 EGEEHM N#Cc1ccc(C2(NC(=O)NCc3ccc([O-])c(F)c3)CCC2)cc1 ZINC000594227802 460161130 /nfs/dbraw/zinc/16/11/30/460161130.db2.gz OJCSJDUEYGKNTJ-UHFFFAOYSA-N -1 3 339.370 3.282 10 30 EGEEHM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000614856630 460234624 /nfs/dbraw/zinc/23/46/24/460234624.db2.gz HBPNLRSRERKKOD-UHFFFAOYSA-N -1 3 340.754 3.221 10 30 EGEEHM Cc1cccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)c1C#N ZINC000599503132 460263349 /nfs/dbraw/zinc/26/33/49/460263349.db2.gz WATFSKRRQSZQQK-UHFFFAOYSA-N -1 3 346.374 3.268 10 30 EGEEHM CC(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1[O-] ZINC000655409958 461235703 /nfs/dbraw/zinc/23/57/03/461235703.db2.gz 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O=C(C#Cc1cccs1)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC001137732198 1377607021 /nfs/dbraw/zinc/60/70/21/1377607021.db2.gz XKOWSLGHRUQMER-UHFFFAOYSA-N -1 3 325.311 3.366 10 30 EGEEHM CC#CCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001138176746 1377687875 /nfs/dbraw/zinc/68/78/75/1377687875.db2.gz RPDDIXGVUSFTEZ-UHFFFAOYSA-N -1 3 343.164 3.129 10 30 EGEEHM C#C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC001138445659 1377725253 /nfs/dbraw/zinc/72/52/53/1377725253.db2.gz CWTSUWCCWFXCCV-FPOVZHCZSA-N -1 3 349.430 3.088 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001281318775 1378416107 /nfs/dbraw/zinc/41/61/07/1378416107.db2.gz RFQBWKPRYQQZGG-OXJNMPFZSA-N -1 3 346.471 3.255 10 30 EGEEHM C#CC[C@H](CCOC)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001149972761 1379476706 /nfs/dbraw/zinc/47/67/06/1379476706.db2.gz ZPECVQYYRIICET-GOSISDBHSA-N -1 3 337.419 3.141 10 30 EGEEHM C#CC[C@@H](CCOC)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001149972762 1379476999 /nfs/dbraw/zinc/47/69/99/1379476999.db2.gz ZPECVQYYRIICET-SFHVURJKSA-N -1 3 337.419 3.141 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C(C)C ZINC001284769496 1380194718 /nfs/dbraw/zinc/19/47/18/1380194718.db2.gz RMCJAARJDFVYGT-INIZCTEOSA-N -1 3 346.471 3.351 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001285457536 1380400029 /nfs/dbraw/zinc/40/00/29/1380400029.db2.gz JQDHUFSWSQCDGF-HNNXBMFYSA-N -1 3 346.471 3.209 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001288010186 1381484698 /nfs/dbraw/zinc/48/46/98/1381484698.db2.gz ABAJTHLEEJHOEU-ZBFHGGJFSA-N -1 3 344.455 3.104 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001161826580 1382521927 /nfs/dbraw/zinc/52/19/27/1382521927.db2.gz GKUKNFIMVIBJJR-GFCCVEGCSA-N -1 3 340.370 3.116 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1 ZINC001161826861 1382522932 /nfs/dbraw/zinc/52/29/32/1382522932.db2.gz NNTBRVNJGWBKSN-QGZVFWFLSA-N -1 3 332.444 3.284 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001297907107 1383285608 /nfs/dbraw/zinc/28/56/08/1383285608.db2.gz ZLEFNXOGURJDSW-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC001328803071 1388870518 /nfs/dbraw/zinc/87/05/18/1388870518.db2.gz VYFOKQRSYHJCDV-UHFFFAOYSA-N -1 3 334.363 3.047 10 30 EGEEHM C=CCCC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001303115694 1383783354 /nfs/dbraw/zinc/78/33/54/1383783354.db2.gz QNGOUBZCSNJTIJ-MRXNPFEDSA-N -1 3 348.410 3.089 10 30 EGEEHM C=CCCC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001303115694 1383783360 /nfs/dbraw/zinc/78/33/60/1383783360.db2.gz QNGOUBZCSNJTIJ-MRXNPFEDSA-N -1 3 348.410 3.089 10 30 EGEEHM Cn1nc(-c2ccccc2)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898475 1383916597 /nfs/dbraw/zinc/91/65/97/1383916597.db2.gz FUDDZZUDTOMBGY-UHFFFAOYSA-N -1 3 325.343 3.258 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338364198 1389654455 /nfs/dbraw/zinc/65/44/55/1389654455.db2.gz UGBILONYIXBNJP-CABCVRRESA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688228889 1396810371 /nfs/dbraw/zinc/81/03/71/1396810371.db2.gz ILKVNLGDZHFPSQ-HOTGVXAUSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001689498401 1403817283 /nfs/dbraw/zinc/81/72/83/1403817283.db2.gz VAOHRQAXTKDIBN-DOTOQJQBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@H](CC)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718801908 1422112608 /nfs/dbraw/zinc/11/26/08/1422112608.db2.gz OBEQNCHEMCXHFP-WMLDXEAASA-N -1 3 346.471 3.255 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001735084675 1438379024 /nfs/dbraw/zinc/37/90/24/1438379024.db2.gz SFDXXAWRKLFIIS-AUUYWEPGSA-N -1 3 332.444 3.009 10 30 EGEEHM C=C1CC(C)(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C(C)(C)C)C1 ZINC001735447865 1438490732 /nfs/dbraw/zinc/49/07/32/1438490732.db2.gz RSOHIODLNZVVBV-INIZCTEOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735463995 1438501101 /nfs/dbraw/zinc/50/11/01/1438501101.db2.gz UYRPTOXUDLTSEU-YOEHRIQHSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001738605290 1439152342 /nfs/dbraw/zinc/15/23/42/1439152342.db2.gz XIUZYTXSMAPSJN-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@H](CC)CC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001759364440 1441270562 /nfs/dbraw/zinc/27/05/62/1441270562.db2.gz QFIMYSXEYQXQNN-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183640520 267553593 /nfs/dbraw/zinc/55/35/93/267553593.db2.gz JPQGSASIARZLEN-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM COC(=O)Cc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000616724198 460605199 /nfs/dbraw/zinc/60/51/99/460605199.db2.gz NULUROCQHQDEIM-GOSISDBHSA-N -1 3 344.370 3.440 10 30 EGEEHM CCCCCCCCc1nnc([N-]C(=O)c2nnn(C)c2C)s1 ZINC000265876716 455397806 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Cn1c(C(C#N)=C([O-])c2ccnc3ccncc32)nc2ccccc21 ZINC000340363495 456414322 /nfs/dbraw/zinc/41/43/22/456414322.db2.gz DLFPXMKSXXDCPM-ZDUSSCGKSA-N -1 3 327.347 3.007 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000282509757 456536106 /nfs/dbraw/zinc/53/61/06/456536106.db2.gz LACDTUJGDLLKGK-UHFFFAOYSA-N -1 3 330.812 3.087 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(Cl)cc1F ZINC000348812508 456866941 /nfs/dbraw/zinc/86/69/41/456866941.db2.gz SBCZRUFJWHBHTI-UHFFFAOYSA-N -1 3 338.791 3.138 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2[nH]cnc2cc1F ZINC000436696588 458362348 /nfs/dbraw/zinc/36/23/48/458362348.db2.gz JDJMUUSOMKZLOL-LLVKDONJSA-N -1 3 333.326 3.079 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2nc[nH]c2cc1F ZINC000436696588 458362351 /nfs/dbraw/zinc/36/23/51/458362351.db2.gz JDJMUUSOMKZLOL-LLVKDONJSA-N -1 3 333.326 3.079 10 30 EGEEHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000431624268 458597345 /nfs/dbraw/zinc/59/73/45/458597345.db2.gz 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C=CCC[C@H]1CCCN1c1nnc(-c2nnc(Cl)[n-]2)n1CC1CC1 ZINC001351334201 1391628614 /nfs/dbraw/zinc/62/86/14/1391628614.db2.gz RTVVANQEANCREY-LBPRGKRZSA-N -1 3 347.854 3.062 10 30 EGEEHM C=CCC[C@H]1CCCN1c1nnc(-c2n[n-]c(Cl)n2)n1CC1CC1 ZINC001351334201 1391628615 /nfs/dbraw/zinc/62/86/15/1391628615.db2.gz RTVVANQEANCREY-LBPRGKRZSA-N -1 3 347.854 3.062 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001703675812 1416017040 /nfs/dbraw/zinc/01/70/40/1416017040.db2.gz FZFHZHYIJGBBPM-WBVHZDCISA-N -1 3 344.455 3.248 10 30 EGEEHM C=C(C)CCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001705454146 1417115598 /nfs/dbraw/zinc/11/55/98/1417115598.db2.gz PRORHZMJROAOTQ-HXUWFJFHSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CC1(CC(=O)NCCN(C)C(=O)c2ccccc2[O-])CCCCC1 ZINC001721102633 1423073404 /nfs/dbraw/zinc/07/34/04/1423073404.db2.gz XDVDJDSJBLKKHN-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM CCCCCCCCC(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC001759945750 1441343570 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C=CCC[C@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000188469051 456069315 /nfs/dbraw/zinc/06/93/15/456069315.db2.gz FSADPBKNCSLUOU-HNNXBMFYSA-N -1 3 335.411 3.499 10 30 EGEEHM C=CCC[C@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000188469051 456069319 /nfs/dbraw/zinc/06/93/19/456069319.db2.gz FSADPBKNCSLUOU-HNNXBMFYSA-N -1 3 335.411 3.499 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000322028995 456643700 /nfs/dbraw/zinc/64/37/00/456643700.db2.gz QJGKSFZLCIILJU-OAHLLOKOSA-N -1 3 346.839 3.047 10 30 EGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1 ZINC000360114161 457262430 /nfs/dbraw/zinc/26/24/30/457262430.db2.gz FOSMXPXMBPCNKH-UHFFFAOYSA-N -1 3 330.384 3.053 10 30 EGEEHM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)OCC ZINC000363441858 457330244 /nfs/dbraw/zinc/33/02/44/457330244.db2.gz KIDVQTMNULFYER-MRXNPFEDSA-N -1 3 341.411 3.055 10 30 EGEEHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000393805276 457468143 /nfs/dbraw/zinc/46/81/43/457468143.db2.gz ZWKSFMUMTNRSNK-NSHDSACASA-N -1 3 348.262 3.091 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@H](C#N)c2cccc(C(F)(F)F)c2)o1 ZINC000358519197 458053582 /nfs/dbraw/zinc/05/35/82/458053582.db2.gz XMBISAATVKAKGX-GFCCVEGCSA-N -1 3 344.314 3.150 10 30 EGEEHM CC(=O)Nc1cc(NC(=O)[N-]c2snc(C)c2C#N)ccc1C ZINC000436495125 458314703 /nfs/dbraw/zinc/31/47/03/458314703.db2.gz NONUVWIBQJWLIF-UHFFFAOYSA-N -1 3 329.385 3.234 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000451730747 458486478 /nfs/dbraw/zinc/48/64/78/458486478.db2.gz BUHZOWZYYCSIPZ-JSGCOSHPSA-N -1 3 332.400 3.340 10 30 EGEEHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3ccc(C#N)cc3)[nH][n-]2)c1 ZINC000512540885 458786156 /nfs/dbraw/zinc/78/61/56/458786156.db2.gz QFAYCFYFVLTJBE-UHFFFAOYSA-N -1 3 330.391 3.168 10 30 EGEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000594830056 459159234 /nfs/dbraw/zinc/15/92/34/459159234.db2.gz DUEIOQRJHLESCB-HNNXBMFYSA-N -1 3 338.429 3.434 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)C[C@H]2CCCCC2(F)F)CCCCC1 ZINC000594884238 459166192 /nfs/dbraw/zinc/16/61/92/459166192.db2.gz KJZOVQCMAUQMRM-CYBMUJFWSA-N -1 3 334.432 3.205 10 30 EGEEHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000593278002 459827429 /nfs/dbraw/zinc/82/74/29/459827429.db2.gz BWVOIMAKSPONGY-AWEZNQCLSA-N -1 3 348.390 3.497 10 30 EGEEHM N#CCCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593599635 459931344 /nfs/dbraw/zinc/93/13/44/459931344.db2.gz AZCSVGDPLIDWNG-AWEZNQCLSA-N -1 3 345.449 3.333 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000593623087 459935562 /nfs/dbraw/zinc/93/55/62/459935562.db2.gz INBSUINRDSZTRL-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM COc1ccc(N(C)C(=O)[N-]c2snc(C)c2C#N)cc1OC ZINC000576004534 460050988 /nfs/dbraw/zinc/05/09/88/460050988.db2.gz FAMXVHLJOLZNFO-UHFFFAOYSA-N -1 3 332.385 3.009 10 30 EGEEHM COCCOCc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1 ZINC000599787469 460333994 /nfs/dbraw/zinc/33/39/94/460333994.db2.gz UPSKEOLCUICKBU-UHFFFAOYSA-N -1 3 346.412 3.130 10 30 EGEEHM Cc1ccc([O-])c(CN=Nc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000732925855 575296489 /nfs/dbraw/zinc/29/64/89/575296489.db2.gz UFVVAJSVSSMVEE-UHFFFAOYSA-N -1 3 329.747 3.245 10 30 EGEEHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC000741136390 576659730 /nfs/dbraw/zinc/65/97/30/576659730.db2.gz VKPLRHZUONJVMS-UHFFFAOYSA-N -1 3 341.436 3.050 10 30 EGEEHM C=CC[S@](=O)(=NC(=O)c1c[n-]nc1[C@H]1CCCO1)c1ccccc1 ZINC000891382058 1305035818 /nfs/dbraw/zinc/03/58/18/1305035818.db2.gz JNNUZODUSCODGR-OYLFLEFRSA-N -1 3 345.424 3.115 10 30 EGEEHM COc1cc(C=NNc2cccc3ncccc32)c([N+](=O)[O-])cc1[O-] ZINC000915964858 1319572763 /nfs/dbraw/zinc/57/27/63/1319572763.db2.gz RKHOFMCPSKOTKG-UHFFFAOYSA-N -1 3 338.323 3.303 10 30 EGEEHM CC(C)(C)c1noc(C=NNc2nc3ccccc3[n-]c2=S)n1 ZINC000863130014 1329530125 /nfs/dbraw/zinc/53/01/25/1329530125.db2.gz ZTZBFJZAQBVULW-UHFFFAOYSA-N -1 3 328.401 3.419 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccsc2C(F)(F)F)c1[O-] ZINC000864347995 1329609063 /nfs/dbraw/zinc/60/90/63/1329609063.db2.gz ZZTBRQMFSXNRAJ-NGYBGAFCSA-N -1 3 330.331 3.287 10 30 EGEEHM CC[C@@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1nnc2n1CCCCC2 ZINC000866254518 1330085914 /nfs/dbraw/zinc/08/59/14/1330085914.db2.gz QEHMEDXDCAUGKZ-XJKSGUPXSA-N -1 3 339.443 3.384 10 30 EGEEHM O=C(c1cc2c(cn1)OCCC2)N([O-])CCCCc1ccccc1 ZINC001184293592 1387423640 /nfs/dbraw/zinc/42/36/40/1387423640.db2.gz ZRSNQOKJXZKWIN-UHFFFAOYSA-N -1 3 326.396 3.261 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1CCC ZINC001122400634 1372241946 /nfs/dbraw/zinc/24/19/46/1372241946.db2.gz SSWDRAANZVFMJY-NSHDSACASA-N -1 3 335.843 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1CCC ZINC001122400634 1372241951 /nfs/dbraw/zinc/24/19/51/1372241951.db2.gz SSWDRAANZVFMJY-NSHDSACASA-N -1 3 335.843 3.062 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC001211242900 1372510713 /nfs/dbraw/zinc/51/07/13/1372510713.db2.gz ZYALVMYQMLCSNV-INIZCTEOSA-N -1 3 339.457 3.341 10 30 EGEEHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001213607670 1372934050 /nfs/dbraw/zinc/93/40/50/1372934050.db2.gz VARABZKPFHRPGT-UHFFFAOYSA-N -1 3 330.381 3.005 10 30 EGEEHM C#CC[C@@H](COC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001131944819 1375062105 /nfs/dbraw/zinc/06/21/05/1375062105.db2.gz KTNNYLQOKMSACZ-JTQLQIEISA-N -1 3 336.165 3.240 10 30 EGEEHM C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285801931 1380523830 /nfs/dbraw/zinc/52/38/30/1380523830.db2.gz RTDMGCHFJDOXAI-NVXWUHKLSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCCCC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001285801930 1380523899 /nfs/dbraw/zinc/52/38/99/1380523899.db2.gz RTDMGCHFJDOXAI-DOTOQJQBSA-N -1 3 344.455 3.153 10 30 EGEEHM C#Cc1ccc(NC(=O)c2c(C)[n-]c(=O)nc2SC)c(Cl)c1 ZINC001157893718 1381064224 /nfs/dbraw/zinc/06/42/24/1381064224.db2.gz PGFDWHQYAUGZHU-UHFFFAOYSA-N -1 3 333.800 3.100 10 30 EGEEHM C=C1CC(C)(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C(C)(C)C)C1 ZINC001288233850 1381746966 /nfs/dbraw/zinc/74/69/66/1381746966.db2.gz ZZKWYGDBQDCIMR-INIZCTEOSA-N -1 3 344.455 3.009 10 30 EGEEHM CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807671 1382513478 /nfs/dbraw/zinc/51/34/78/1382513478.db2.gz MURAGDZKDKATEC-CHWSQXEVSA-N -1 3 339.819 3.426 10 30 EGEEHM C=CCC1(C(=O)NC[C@@H](C)CNC(=O)c2ccccc2[O-])CCCC1 ZINC001297719300 1383223926 /nfs/dbraw/zinc/22/39/26/1383223926.db2.gz DDJLYNVQETWTEV-HNNXBMFYSA-N -1 3 344.455 3.011 10 30 EGEEHM CCCCN([O-])C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C ZINC001306897369 1383916484 /nfs/dbraw/zinc/91/64/84/1383916484.db2.gz KDXZHVPIZZSRPY-GFCCVEGCSA-N -1 3 332.853 3.174 10 30 EGEEHM Cc1nc(N(C)C)sc1C(=O)N([O-])Cc1ccccc1Cl ZINC001306895276 1383916020 /nfs/dbraw/zinc/91/60/20/1383916020.db2.gz XDTZIOJMWVPSFP-UHFFFAOYSA-N -1 3 325.821 3.203 10 30 EGEEHM CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896043 1383916036 /nfs/dbraw/zinc/91/60/36/1383916036.db2.gz HQRTUAOSDQTNHE-JKSUJKDBSA-N -1 3 348.443 3.140 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C ZINC001306896806 1383916654 /nfs/dbraw/zinc/91/66/54/1383916654.db2.gz MNFADDGEZKDJRJ-CYBMUJFWSA-N -1 3 348.509 3.431 10 30 EGEEHM Cn1cnc2cncc(C(=O)N([O-])Cc3cccc4ccccc43)c21 ZINC001306900770 1383917620 /nfs/dbraw/zinc/91/76/20/1383917620.db2.gz QIZBMPFUPQVYCU-UHFFFAOYSA-N -1 3 332.363 3.153 10 30 EGEEHM C=C1CCC(C(=O)N[C@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001339782528 1390143424 /nfs/dbraw/zinc/14/34/24/1390143424.db2.gz OLGKDAHOJNEZEA-HUUCEWRRSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001342542919 1390624610 /nfs/dbraw/zinc/62/46/10/1390624610.db2.gz QTFBNMNQFKJXBO-NEPJUHHUSA-N -1 3 347.854 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]2CCC[C@@H]21 ZINC001342542919 1390624612 /nfs/dbraw/zinc/62/46/12/1390624612.db2.gz QTFBNMNQFKJXBO-NEPJUHHUSA-N -1 3 347.854 3.062 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001689114474 1396922550 /nfs/dbraw/zinc/92/25/50/1396922550.db2.gz VTLVFLXVAHFGAK-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001704829347 1416785824 /nfs/dbraw/zinc/78/58/24/1416785824.db2.gz ZTVDQGFQCAMVLD-DOTOQJQBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCC1(C(=O)NCCC[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001726249658 1426989065 /nfs/dbraw/zinc/98/90/65/1426989065.db2.gz AAEXCRKWKDEIHJ-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001738704852 1439170911 /nfs/dbraw/zinc/17/09/11/1439170911.db2.gz MXYWQINGYKFCSP-UZLBHIALSA-N -1 3 346.471 3.255 10 30 EGEEHM Cc1c([O-])ccc2c(CN(CCC#N)[C@@H](C)C3CC3)cc(=O)oc12 ZINC000069809419 203051351 /nfs/dbraw/zinc/05/13/51/203051351.db2.gz SFYBNDISYZJCEC-ZDUSSCGKSA-N -1 3 326.396 3.321 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc3C2)c1 ZINC000321771571 268099148 /nfs/dbraw/zinc/09/91/48/268099148.db2.gz PPTMYDGDKUSOLT-OAHLLOKOSA-N -1 3 346.839 3.047 10 30 EGEEHM N#Cc1ccnc([N-]C(=O)c2c(F)cc(Br)cc2F)c1 ZINC000436003997 458235485 /nfs/dbraw/zinc/23/54/85/458235485.db2.gz CDHZFZCVWCFLCH-UHFFFAOYSA-N -1 3 338.111 3.246 10 30 EGEEHM N#Cc1ccccc1NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000008734492 453230408 /nfs/dbraw/zinc/23/04/08/453230408.db2.gz WARUNEXABBGMME-UHFFFAOYSA-N -1 3 341.421 3.136 10 30 EGEEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000044978202 454131046 /nfs/dbraw/zinc/13/10/46/454131046.db2.gz QVGDUIONQGKFKZ-CYBMUJFWSA-N -1 3 341.758 3.112 10 30 EGEEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000044978202 454131047 /nfs/dbraw/zinc/13/10/47/454131047.db2.gz QVGDUIONQGKFKZ-CYBMUJFWSA-N -1 3 341.758 3.112 10 30 EGEEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000044978202 454131050 /nfs/dbraw/zinc/13/10/50/454131050.db2.gz QVGDUIONQGKFKZ-CYBMUJFWSA-N -1 3 341.758 3.112 10 30 EGEEHM COc1ccccc1C=CC([O-])=C(C#N)C(=O)Nc1ccc(F)cc1 ZINC000104258154 454580302 /nfs/dbraw/zinc/58/03/02/454580302.db2.gz ZPSJTSBMRQCUBI-BDJZEXMMSA-N -1 3 338.338 3.195 10 30 EGEEHM CC(C)(C)CN(CCC#N)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000109812762 454838222 /nfs/dbraw/zinc/83/82/22/454838222.db2.gz STDXCIDPGPTSAH-UHFFFAOYSA-N -1 3 338.411 3.431 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000156765603 455149177 /nfs/dbraw/zinc/14/91/77/455149177.db2.gz WFFOZGHUHIOVJF-SWLSCSKDSA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000183418564 455290905 /nfs/dbraw/zinc/29/09/05/455290905.db2.gz SOGZHKAPOQVFSL-CQSZACIVSA-N -1 3 348.811 3.014 10 30 EGEEHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000176100050 455540470 /nfs/dbraw/zinc/54/04/70/455540470.db2.gz SYCYBFZNVBOKIZ-LLVKDONJSA-N -1 3 339.305 3.132 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000294412248 455814748 /nfs/dbraw/zinc/81/47/48/455814748.db2.gz DZWAJURGUAHMLI-ZIAGYGMSSA-N -1 3 330.325 3.038 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccccc2O[C@@H]2CCOC2)c1C#N ZINC000297547392 456247925 /nfs/dbraw/zinc/24/79/25/456247925.db2.gz ZEAWBNBNDXFIDM-LLVKDONJSA-N -1 3 344.396 3.135 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000340098209 457332261 /nfs/dbraw/zinc/33/22/61/457332261.db2.gz WZNBMHKVAFFPBT-INIZCTEOSA-N -1 3 347.827 3.036 10 30 EGEEHM N#C[C@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1ccc(F)cc1 ZINC000352688567 457532559 /nfs/dbraw/zinc/53/25/59/457532559.db2.gz DYCOOLOFZVXTTL-NSHDSACASA-N -1 3 326.224 3.377 10 30 EGEEHM Cc1nnc2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cn12 ZINC000361523115 457768979 /nfs/dbraw/zinc/76/89/79/457768979.db2.gz CNUSKBSCMAGYBM-INIZCTEOSA-N -1 3 327.347 3.076 10 30 EGEEHM N#CC(=C([O-])c1ccnn1CC(F)F)c1nccc2ccccc21 ZINC000434648746 458029659 /nfs/dbraw/zinc/02/96/59/458029659.db2.gz OADQIWFVZIFZKT-ZDUSSCGKSA-N -1 3 326.306 3.186 10 30 EGEEHM Cc1cccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1[O-] ZINC000436758746 458375741 /nfs/dbraw/zinc/37/57/41/458375741.db2.gz OJCANLBLYDMPHJ-AWEZNQCLSA-N -1 3 345.196 3.458 10 30 EGEEHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475795422 458965863 /nfs/dbraw/zinc/96/58/63/458965863.db2.gz ISSXZCLHMXXJSK-MRXNPFEDSA-N -1 3 348.468 3.130 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000590106335 459085257 /nfs/dbraw/zinc/08/52/57/459085257.db2.gz TXCJCBKLDGINGH-UHFFFAOYSA-N -1 3 326.406 3.314 10 30 EGEEHM CC1(C)CC([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595389258 459289951 /nfs/dbraw/zinc/28/99/51/459289951.db2.gz OKKGJESHDOYCAR-UHFFFAOYSA-N -1 3 332.347 3.044 10 30 EGEEHM Cc1ccc([O-])c(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1 ZINC000539845607 459377990 /nfs/dbraw/zinc/37/79/90/459377990.db2.gz CFKAOGFPNWEBAR-CQSZACIVSA-N -1 3 345.196 3.458 10 30 EGEEHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1ccccn1 ZINC000489854353 459571119 /nfs/dbraw/zinc/57/11/19/459571119.db2.gz HNTHLGZNCQWTSM-LBPRGKRZSA-N -1 3 339.305 3.090 10 30 EGEEHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593278065 459827478 /nfs/dbraw/zinc/82/74/78/459827478.db2.gz FWUPZXIJCABJGH-MRVPVSSYSA-N -1 3 327.258 3.022 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)C1CCC(F)CC1 ZINC000598364863 459880160 /nfs/dbraw/zinc/88/01/60/459880160.db2.gz BKJNUVNCGNPBFS-GRTSSRMGSA-N -1 3 347.434 3.241 10 30 EGEEHM N#CCCC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593599638 459930801 /nfs/dbraw/zinc/93/08/01/459930801.db2.gz AZCSVGDPLIDWNG-CQSZACIVSA-N -1 3 345.449 3.333 10 30 EGEEHM C=CCN(CC=C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000175718607 547012900 /nfs/dbraw/zinc/01/29/00/547012900.db2.gz ICGMSWDBULMBDN-UHFFFAOYSA-N -1 3 327.409 3.419 10 30 EGEEHM CCOc1ccc(C=NNc2ccc(Br)cn2)c([O-])c1 ZINC000727265120 574656216 /nfs/dbraw/zinc/65/62/16/574656216.db2.gz ITTPYRJICATGDN-UHFFFAOYSA-N -1 3 336.189 3.394 10 30 EGEEHM C=CCS(=O)(=O)[N-]c1ccc(Br)cc1C(F)(F)F ZINC000711095033 1298258243 /nfs/dbraw/zinc/25/82/43/1298258243.db2.gz VRYMVCUOHIGVHL-UHFFFAOYSA-N -1 3 344.152 3.396 10 30 EGEEHM C=CCCC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000880390887 1301101575 /nfs/dbraw/zinc/10/15/75/1301101575.db2.gz XUPIIYHRGMVKAH-KRWDZBQOSA-N -1 3 339.439 3.442 10 30 EGEEHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000921822700 1322405596 /nfs/dbraw/zinc/40/55/96/1322405596.db2.gz XMADBLBZDRLLAH-UHFFFAOYSA-N -1 3 340.408 3.214 10 30 EGEEHM CC[C@H](NCc1c(Br)cnn1C)c1cccc(C#N)c1[O-] ZINC000926782316 1327716006 /nfs/dbraw/zinc/71/60/06/1327716006.db2.gz YDOOFZZPZYENPL-ZDUSSCGKSA-N -1 3 349.232 3.001 10 30 EGEEHM CCCCCCN([O-])C(=O)CSc1ccc2c(c1)OCCO2 ZINC001184305732 1387424972 /nfs/dbraw/zinc/42/49/72/1387424972.db2.gz OQTLSIFJUTUOEI-UHFFFAOYSA-N -1 3 325.430 3.348 10 30 EGEEHM CCCCCCN([O-])C(=O)C1=NN(c2ccccc2)[C@H](C(C)=O)C1 ZINC001184305413 1387425240 /nfs/dbraw/zinc/42/52/40/1387425240.db2.gz IPMSTRIAJFPNLE-KRWDZBQOSA-N -1 3 331.416 3.008 10 30 EGEEHM CN(C)[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001184347796 1387436159 /nfs/dbraw/zinc/43/61/59/1387436159.db2.gz DYRWGERJHVPFQV-INIZCTEOSA-N -1 3 336.794 3.500 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC001188587203 1388336148 /nfs/dbraw/zinc/33/61/48/1388336148.db2.gz OSIVHKNGBVSNRE-GOSISDBHSA-N -1 3 347.436 3.381 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)c2cc3cn[nH]c3cc2C)c1 ZINC001188585531 1388336561 /nfs/dbraw/zinc/33/65/61/1388336561.db2.gz AVVDCKKEVFJCLN-UHFFFAOYSA-N -1 3 343.408 3.237 10 30 EGEEHM C=C1CCC(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC001154416057 1380274639 /nfs/dbraw/zinc/27/46/39/1380274639.db2.gz AEOGWZDGKQKJEH-UHFFFAOYSA-N -1 3 332.350 3.283 10 30 EGEEHM CCCCCCN([O-])C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001161818692 1382519555 /nfs/dbraw/zinc/51/95/55/1382519555.db2.gz FPBIFYKEZCCFNY-UHFFFAOYSA-N -1 3 328.453 3.432 10 30 EGEEHM CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842940 1382526730 /nfs/dbraw/zinc/52/67/30/1382526730.db2.gz UYJJTBFRHQXBNP-LBPRGKRZSA-N -1 3 340.395 3.189 10 30 EGEEHM CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001161842939 1382526818 /nfs/dbraw/zinc/52/68/18/1382526818.db2.gz UYJJTBFRHQXBNP-GFCCVEGCSA-N -1 3 340.395 3.189 10 30 EGEEHM Cc1cc(N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)c(C#N)cc1[N+](=O)[O-] ZINC001164226515 1383168479 /nfs/dbraw/zinc/16/84/79/1383168479.db2.gz SCYKXXBVVQRJAX-ZETCQYMHSA-N -1 3 340.265 3.085 10 30 EGEEHM C#CCOc1ccccc1NC(=O)c1c[n-]c2ccc(C)cc2c1=O ZINC001306829083 1383907596 /nfs/dbraw/zinc/90/75/96/1383907596.db2.gz KDICUSTWOBMHQS-UHFFFAOYSA-N -1 3 332.359 3.101 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3ccccc3)s2)nc1Cl ZINC001353317721 1391988449 /nfs/dbraw/zinc/98/84/49/1391988449.db2.gz ZNWKGHDNYNWJDB-UHFFFAOYSA-N -1 3 341.783 3.377 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001354182296 1392125797 /nfs/dbraw/zinc/12/57/97/1392125797.db2.gz WKBDFYYRCHUZNN-FHERZECASA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001687803478 1396498200 /nfs/dbraw/zinc/49/82/00/1396498200.db2.gz OVLJHHXMFVIYSI-FQEVSTJZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001718719239 1422061689 /nfs/dbraw/zinc/06/16/89/1422061689.db2.gz ZCHATCOJABWXCY-GOEBONIOSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)CCC(=O)NCCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001721551276 1423494765 /nfs/dbraw/zinc/49/47/65/1423494765.db2.gz MDGZJMUOAMVNNP-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001726188576 1426929956 /nfs/dbraw/zinc/92/99/56/1426929956.db2.gz AATDPVRONAEWLQ-LSDHHAIUSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCC(C)(C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001734727963 1438244797 /nfs/dbraw/zinc/24/47/97/1438244797.db2.gz MWJYYXTXNSENGR-UHFFFAOYSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001735379964 1438472485 /nfs/dbraw/zinc/47/24/85/1438472485.db2.gz WTMAHJPVQFSUFA-GJZGRUSLSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001735434986 1438481601 /nfs/dbraw/zinc/48/16/01/1438481601.db2.gz XCWOUVZMSVBDIF-MRXNPFEDSA-N -1 3 346.471 3.304 10 30 EGEEHM C=C[C@H](CC)CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735463992 1438501124 /nfs/dbraw/zinc/50/11/24/1438501124.db2.gz UYRPTOXUDLTSEU-PBHICJAKSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001747614126 1440000378 /nfs/dbraw/zinc/00/03/78/1440000378.db2.gz LOJNDRPSSDMILY-DOTOQJQBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001759589869 1441314262 /nfs/dbraw/zinc/31/42/62/1441314262.db2.gz FRVVLYXRQJPXRM-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1ccccc1-c1cc(=NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH][n-]1 ZINC000438647934 268061887 /nfs/dbraw/zinc/06/18/87/268061887.db2.gz JTLCIBRVLFJVAP-UHFFFAOYSA-N -1 3 342.402 3.349 10 30 EGEEHM Cc1nsc([N-]C(=O)c2sc([C@H]3CCCOC3)nc2C)c1C#N ZINC000579446095 325110772 /nfs/dbraw/zinc/11/07/72/325110772.db2.gz VASKTXFWAMQSEF-JTQLQIEISA-N -1 3 348.453 3.234 10 30 EGEEHM C[C@@H](Oc1ccccc1C#N)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580267041 325224621 /nfs/dbraw/zinc/22/46/21/325224621.db2.gz YRLAJTLTKYVXAP-SNVBAGLBSA-N -1 3 332.323 3.020 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000013022131 453440137 /nfs/dbraw/zinc/44/01/37/453440137.db2.gz CFGPJDCIOIOENU-UHFFFAOYSA-N -1 3 342.403 3.365 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000013022131 453440144 /nfs/dbraw/zinc/44/01/44/453440144.db2.gz CFGPJDCIOIOENU-UHFFFAOYSA-N -1 3 342.403 3.365 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000013022131 453440151 /nfs/dbraw/zinc/44/01/51/453440151.db2.gz CFGPJDCIOIOENU-UHFFFAOYSA-N -1 3 342.403 3.365 10 30 EGEEHM CNC(=O)c1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736173 453944991 /nfs/dbraw/zinc/94/49/91/453944991.db2.gz ZWFWVOIKTJLJAV-MEODZPNASA-N -1 3 345.358 3.077 10 30 EGEEHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1nc2ccccc2s1 ZINC000041503019 453969193 /nfs/dbraw/zinc/96/91/93/453969193.db2.gz MSBVYNFSLWMRDR-AWEZNQCLSA-N -1 3 345.387 3.367 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000085590279 454034101 /nfs/dbraw/zinc/03/41/01/454034101.db2.gz NICXCFGYLCLXID-UHFFFAOYSA-N -1 3 331.169 3.208 10 30 EGEEHM N#CC(=C([O-])C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000049456594 454549373 /nfs/dbraw/zinc/54/93/73/454549373.db2.gz INICJPTZVWOPMN-MUBLQREKSA-N -1 3 340.766 3.396 10 30 EGEEHM N#Cc1c[nH]c2cc(NC(=O)c3cnc4ccccc4c3[O-])ccc12 ZINC000113741091 454934927 /nfs/dbraw/zinc/93/49/27/454934927.db2.gz OAMQKHJVZBOAAY-UHFFFAOYSA-N -1 3 328.331 3.133 10 30 EGEEHM N#CCCN(Cc1cccnc1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271227195 456182042 /nfs/dbraw/zinc/18/20/42/456182042.db2.gz HRTILEJWXMBQEW-UHFFFAOYSA-N -1 3 335.407 3.222 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000282482823 456529236 /nfs/dbraw/zinc/52/92/36/456529236.db2.gz JDAYAVRUAOYLBA-UHFFFAOYSA-N -1 3 330.812 3.087 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 ZINC000349624902 456998649 /nfs/dbraw/zinc/99/86/49/456998649.db2.gz GSRKRKFIAXXUDW-CYBMUJFWSA-N -1 3 345.424 3.016 10 30 EGEEHM N#Cc1cncc(S(=O)(=O)[N-]c2cccc(C(F)F)c2Cl)c1 ZINC000357078005 457310872 /nfs/dbraw/zinc/31/08/72/457310872.db2.gz JVISQDBPHBVHLV-UHFFFAOYSA-N -1 3 343.742 3.345 10 30 EGEEHM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000354703512 457313194 /nfs/dbraw/zinc/31/31/94/457313194.db2.gz ZLLAFCPOOCQFMO-VIFPVBQESA-N -1 3 340.754 3.221 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000355716697 457406116 /nfs/dbraw/zinc/40/61/16/457406116.db2.gz RLSXQEKVZLMMQP-SNVBAGLBSA-N -1 3 334.775 3.068 10 30 EGEEHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nccc3ccccc32)c1C ZINC000361542256 457781730 /nfs/dbraw/zinc/78/17/30/457781730.db2.gz XOETYRMGZCKJMV-OAHLLOKOSA-N -1 3 347.374 3.456 10 30 EGEEHM C[C@@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424409463 458634838 /nfs/dbraw/zinc/63/48/38/458634838.db2.gz GNHYYRGRQVYXGQ-YGRLFVJLSA-N -1 3 326.318 3.262 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)c(Cl)cc1F ZINC000494369851 458665419 /nfs/dbraw/zinc/66/54/19/458665419.db2.gz SNUYQVFSRNBDJO-CQSZACIVSA-N -1 3 332.828 3.394 10 30 EGEEHM C=CCC[C@@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473848014 458846236 /nfs/dbraw/zinc/84/62/36/458846236.db2.gz FHPGWKONMJFFMW-NVXWUHKLSA-N -1 3 325.412 3.372 10 30 EGEEHM C=CCC[C@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473848015 458846309 /nfs/dbraw/zinc/84/63/09/458846309.db2.gz FHPGWKONMJFFMW-RDJZCZTQSA-N -1 3 325.412 3.372 10 30 EGEEHM COc1ccccc1[C@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC000593948242 460023311 /nfs/dbraw/zinc/02/33/11/460023311.db2.gz VQJRFBVGTRAPPG-SFHVURJKSA-N -1 3 338.407 3.412 10 30 EGEEHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000634197749 461468358 /nfs/dbraw/zinc/46/83/58/461468358.db2.gz LQZLTFZGUANIIN-IEBWSBKVSA-N -1 3 348.402 3.387 10 30 EGEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc([O-])c(F)c1 ZINC000738551730 576336080 /nfs/dbraw/zinc/33/60/80/576336080.db2.gz JYQPDPQEQXLYGH-UHFFFAOYSA-N -1 3 339.326 3.025 10 30 EGEEHM Cc1ncc(CO)c(/C=N/[C@@H](C)c2ccc(C(F)(F)F)nc2)c1[O-] ZINC000871597213 1296447371 /nfs/dbraw/zinc/44/73/71/1296447371.db2.gz MOWPJJPRORVNTG-CFUGZAJTSA-N -1 3 339.317 3.182 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2csc(C(F)(F)F)c2)c1[O-] ZINC000864346161 1329608918 /nfs/dbraw/zinc/60/89/18/1329608918.db2.gz PIYJVEBMDOSUOR-BLLMUTORSA-N -1 3 330.331 3.287 10 30 EGEEHM COc1cc(C(=O)/C=C/c2ccnn2CC2CCC2)c(OC)cc1[O-] ZINC000865221636 1329677127 /nfs/dbraw/zinc/67/71/27/1329677127.db2.gz ZKUWJPCTQQFOCM-VOTSOKGWSA-N -1 3 342.395 3.302 10 30 EGEEHM O=C(c1cnc2[nH]cnc2c1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235719 1387418030 /nfs/dbraw/zinc/41/80/30/1387418030.db2.gz NIKUPRIWXDHRJE-UHFFFAOYSA-N -1 3 337.166 3.296 10 30 EGEEHM Cc1nc2cc(C(=O)N([O-])Cc3ccccc3Cl)ccc2c(=O)[nH]1 ZINC001184283417 1387422819 /nfs/dbraw/zinc/42/28/19/1387422819.db2.gz IVYOUVMUJBDSCD-UHFFFAOYSA-N -1 3 343.770 3.329 10 30 EGEEHM C=CCCc1ccc(S(=O)(=O)NCc2c([O-])cccc2F)cc1 ZINC001195138168 1368386327 /nfs/dbraw/zinc/38/63/27/1368386327.db2.gz UQQGUDKKGLHQNI-UHFFFAOYSA-N -1 3 335.400 3.128 10 30 EGEEHM Cc1nsc([N-]C(=O)c2cnc(Oc3ccccc3)cn2)c1C#N ZINC001128319716 1373250522 /nfs/dbraw/zinc/25/05/22/1373250522.db2.gz NMPNTLKMNPXSHR-UHFFFAOYSA-N -1 3 337.364 3.158 10 30 EGEEHM C=C[C@H](CC)CC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001284182456 1379573120 /nfs/dbraw/zinc/57/31/20/1379573120.db2.gz SXKBQYXMVRYMKS-QQFBHYJXSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CC1(CC(=O)NCCCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001293151363 1382263162 /nfs/dbraw/zinc/26/31/62/1382263162.db2.gz IFBXDQLRZXXQQK-UHFFFAOYSA-N -1 3 344.455 3.155 10 30 EGEEHM CN(CCC(=O)N([O-])Cc1ccccc1Cl)C(=O)OC(C)(C)C ZINC001161807663 1382513165 /nfs/dbraw/zinc/51/31/65/1382513165.db2.gz MMTIMYFHNMZRDC-UHFFFAOYSA-N -1 3 342.823 3.315 10 30 EGEEHM O=C(c1cccc(Cn2ccnn2)c1)N([O-])Cc1ccccc1Cl ZINC001161807665 1382513206 /nfs/dbraw/zinc/51/32/06/1382513206.db2.gz MRSFSFGSKJYLEW-UHFFFAOYSA-N -1 3 342.786 3.011 10 30 EGEEHM C[Si](C)(C)c1ccc(CC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001161849501 1382529476 /nfs/dbraw/zinc/52/94/76/1382529476.db2.gz QIWCKWJBTNRTRT-UHFFFAOYSA-N -1 3 331.463 3.331 10 30 EGEEHM C=CCC1(C(=O)NCCN(CC)C(=O)c2ccccc2[O-])CCCC1 ZINC001296331121 1382966564 /nfs/dbraw/zinc/96/65/64/1382966564.db2.gz AITXENSARRRELA-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM Cn1cc(-c2nc(C(=O)N([O-])Cc3ccccc3Cl)cs2)cn1 ZINC001306894900 1383915776 /nfs/dbraw/zinc/91/57/76/1383915776.db2.gz RXAQHTQEUVUCDF-UHFFFAOYSA-N -1 3 348.815 3.229 10 30 EGEEHM C#C[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(C)(C)C ZINC001309549200 1384186266 /nfs/dbraw/zinc/18/62/66/1384186266.db2.gz LCJAJSANLYCKKL-AWEZNQCLSA-N -1 3 348.493 3.445 10 30 EGEEHM C=C(C)CCC(=O)N[C@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001345176749 1390843775 /nfs/dbraw/zinc/84/37/75/1390843775.db2.gz BAMFBFBTKKGBDF-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM C=CCN(C(=O)c1cc(C#N)c(SC)nc1[O-])c1ccccc1 ZINC001349735422 1391360345 /nfs/dbraw/zinc/36/03/45/1391360345.db2.gz ZODSFKBRUAUUBP-UHFFFAOYSA-N -1 3 325.393 3.214 10 30 EGEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3coc(C#N)c3)c2)n1 ZINC001354534046 1392151172 /nfs/dbraw/zinc/15/11/72/1392151172.db2.gz VTQFEMLCYMFDNL-UHFFFAOYSA-N -1 3 334.335 3.129 10 30 EGEEHM C=CCCCC(=O)NCCC[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495781200 1396557064 /nfs/dbraw/zinc/55/70/64/1396557064.db2.gz DBIIHXJNFAGOKP-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C#CCN[C@@H](CNC(=O)c1ccccc1[O-])c1ccc(C(C)C)cc1 ZINC001732018427 1428235370 /nfs/dbraw/zinc/23/53/70/1428235370.db2.gz WEQLVQGSEPGRLI-IBGZPJMESA-N -1 3 336.435 3.210 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001701793215 1415266368 /nfs/dbraw/zinc/26/63/68/1415266368.db2.gz AMPGIGYPWABPBP-GOEBONIOSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001704790655 1416751122 /nfs/dbraw/zinc/75/11/22/1416751122.db2.gz IPTGXUMOWLWHHY-JKSUJKDBSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1ccccc1[O-] ZINC001704829348 1416785869 /nfs/dbraw/zinc/78/58/69/1416785869.db2.gz ZTVDQGFQCAMVLD-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)CCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001705454145 1417115696 /nfs/dbraw/zinc/11/56/96/1417115696.db2.gz PRORHZMJROAOTQ-FQEVSTJZSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C(C)CCC(=O)NCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC001721263747 1423210844 /nfs/dbraw/zinc/21/08/44/1423210844.db2.gz NROCIBRZLDGYOD-UHFFFAOYSA-N -1 3 332.444 3.105 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(F)c3C#N)cc2)n1 ZINC000187119534 144152819 /nfs/dbraw/zinc/15/28/19/144152819.db2.gz JYMICEDZTWKDMC-UHFFFAOYSA-N -1 3 348.337 3.008 10 30 EGEEHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000122242684 222045410 /nfs/dbraw/zinc/04/54/10/222045410.db2.gz GKWNARDQQXXJTE-OAHLLOKOSA-N -1 3 332.363 3.022 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c(Cl)c1 ZINC000416569059 268255216 /nfs/dbraw/zinc/25/52/16/268255216.db2.gz XWXHDEWUFOWXRU-UHFFFAOYSA-N -1 3 348.802 3.314 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1Cl ZINC000590597752 459157800 /nfs/dbraw/zinc/15/78/00/459157800.db2.gz PLWRPFIICKOGGH-UHFFFAOYSA-N -1 3 343.191 3.371 10 30 EGEEHM CNC(=O)c1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736179 453944847 /nfs/dbraw/zinc/94/48/47/453944847.db2.gz ZWFWVOIKTJLJAV-SHQCLWGWSA-N -1 3 345.358 3.077 10 30 EGEEHM N#CCCN(Cc1ccco1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000078667561 454294613 /nfs/dbraw/zinc/29/46/13/454294613.db2.gz OQTZMINJQFAIQT-UHFFFAOYSA-N -1 3 348.362 3.178 10 30 EGEEHM C=CCN(CCc1ccccc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065912014 454638376 /nfs/dbraw/zinc/63/83/76/454638376.db2.gz AERZLPWENOFOLY-UHFFFAOYSA-N -1 3 332.403 3.399 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000144057835 454846628 /nfs/dbraw/zinc/84/66/28/454846628.db2.gz YFSRLALDLSBXSY-HNNXBMFYSA-N -1 3 343.471 3.223 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(C)c1[O-] ZINC000130168283 455144823 /nfs/dbraw/zinc/14/48/23/455144823.db2.gz NQJHQNKUGDURTC-UHFFFAOYSA-N -1 3 326.352 3.437 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000183418580 455290785 /nfs/dbraw/zinc/29/07/85/455290785.db2.gz SOGZHKAPOQVFSL-AWEZNQCLSA-N -1 3 348.811 3.014 10 30 EGEEHM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1ccccn1 ZINC000173951089 455344919 /nfs/dbraw/zinc/34/49/19/455344919.db2.gz MAWMASVVUNJSQY-OAHLLOKOSA-N -1 3 330.347 3.499 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC2=CCCC2)c(C(F)(F)F)c1 ZINC000159102395 455352091 /nfs/dbraw/zinc/35/20/91/455352091.db2.gz KDACNAXBUSETMP-UHFFFAOYSA-N -1 3 344.358 3.356 10 30 EGEEHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C4(C#N)CC4)cc3)[n-]2)o1 ZINC000181900699 455396905 /nfs/dbraw/zinc/39/69/05/455396905.db2.gz IJMAFWMUGHXCCG-UHFFFAOYSA-N -1 3 333.351 3.181 10 30 EGEEHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C4(C#N)CC4)cc3)n2)o1 ZINC000181900699 455396909 /nfs/dbraw/zinc/39/69/09/455396909.db2.gz IJMAFWMUGHXCCG-UHFFFAOYSA-N -1 3 333.351 3.181 10 30 EGEEHM Cc1ccc(-c2nc(NC(=O)c3ccc(C4(C#N)CC4)cc3)n[n-]2)o1 ZINC000181900699 455396913 /nfs/dbraw/zinc/39/69/13/455396913.db2.gz IJMAFWMUGHXCCG-UHFFFAOYSA-N -1 3 333.351 3.181 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000293483159 455788341 /nfs/dbraw/zinc/78/83/41/455788341.db2.gz TWUUEGLANNJXHG-JTQLQIEISA-N -1 3 337.326 3.134 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000294562806 455820675 /nfs/dbraw/zinc/82/06/75/455820675.db2.gz FZCJIIFXVRMGRW-OAHLLOKOSA-N -1 3 329.774 3.369 10 30 EGEEHM COc1ccc(C=N[O-])cc1Cn1nc(C)c(Br)c1C ZINC000252597701 455822759 /nfs/dbraw/zinc/82/27/59/455822759.db2.gz CTUJQJSTSYQBML-UHFFFAOYSA-N -1 3 338.205 3.127 10 30 EGEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304237445 456502371 /nfs/dbraw/zinc/50/23/71/456502371.db2.gz CIDNRCHQMLWVKR-MRVPVSSYSA-N -1 3 338.654 3.345 10 30 EGEEHM C#CCO[N-]C(=O)CCCSc1ccc(Br)cc1 ZINC000291171641 456552708 /nfs/dbraw/zinc/55/27/08/456552708.db2.gz DREYSXPBGOFFCH-UHFFFAOYSA-N -1 3 328.231 3.002 10 30 EGEEHM C=C(C)CN(CC)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000346810810 457178911 /nfs/dbraw/zinc/17/89/11/457178911.db2.gz BFNMTECPRDAKFS-UHFFFAOYSA-N -1 3 349.228 3.329 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000347091546 457226459 /nfs/dbraw/zinc/22/64/59/457226459.db2.gz PBCXRCXOMPDZSF-MPBGBICISA-N -1 3 349.434 3.258 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000340097953 457332490 /nfs/dbraw/zinc/33/24/90/457332490.db2.gz RLYCEHDVTWHELM-INIZCTEOSA-N -1 3 347.827 3.036 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3CCc4ccc(C#N)cc43)c([O-])c2O1 ZINC000408410781 457567315 /nfs/dbraw/zinc/56/73/15/457567315.db2.gz YXBPTPHETZYZIK-UHFFFAOYSA-N -1 3 334.375 3.180 10 30 EGEEHM N#Cc1cc(NC(=O)Cc2ccc(Br)cc2[O-])ccc1F ZINC000357574964 457601050 /nfs/dbraw/zinc/60/10/50/457601050.db2.gz BEANRUKZZHDBCX-UHFFFAOYSA-N -1 3 349.159 3.347 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])c(OC)c1 ZINC000442943786 459064759 /nfs/dbraw/zinc/06/47/59/459064759.db2.gz OYXNURGFJYEGME-UHFFFAOYSA-N -1 3 342.351 3.137 10 30 EGEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000595365051 459283989 /nfs/dbraw/zinc/28/39/89/459283989.db2.gz UNSRIKGHBHMDMR-AWEZNQCLSA-N -1 3 346.374 3.290 10 30 EGEEHM Cc1cc(C(C#N)=C([O-])c2cccc([C@H]3CCCOC3)c2)nc(C)n1 ZINC000535755089 459356820 /nfs/dbraw/zinc/35/68/20/459356820.db2.gz FDTXWEBMXDHUCD-ROUUACIJSA-N -1 3 335.407 3.478 10 30 EGEEHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592384348 459587726 /nfs/dbraw/zinc/58/77/26/459587726.db2.gz SVNNOOKVYUNVDP-AWEZNQCLSA-N -1 3 340.495 3.133 10 30 EGEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000592950527 459723444 /nfs/dbraw/zinc/72/34/44/459723444.db2.gz QGUYNJIRRWQKIM-KRWDZBQOSA-N -1 3 340.427 3.177 10 30 EGEEHM O=C(CCCCCCc1ccc(Br)cc1)C(=O)N[O-] ZINC000584652328 459778788 /nfs/dbraw/zinc/77/87/88/459778788.db2.gz GROXCMSJKWEKGO-UHFFFAOYSA-N -1 3 328.206 3.017 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1F ZINC000593597993 459931413 /nfs/dbraw/zinc/93/14/13/459931413.db2.gz KSELKQHUSVMCOC-UHFFFAOYSA-N -1 3 336.413 3.115 10 30 EGEEHM N#Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c(F)c1 ZINC000615754444 460387095 /nfs/dbraw/zinc/38/70/95/460387095.db2.gz FXIZDQXEFWKIPV-UHFFFAOYSA-N -1 3 330.334 3.181 10 30 EGEEHM C#CCOc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2C)cc1 ZINC000730996252 575042952 /nfs/dbraw/zinc/04/29/52/575042952.db2.gz JQDFYYCYFDWHJH-UHFFFAOYSA-N -1 3 335.812 3.461 10 30 EGEEHM C=CCc1cc(OCC)cc(CN2CCOC[C@@H]2C(F)(F)F)c1[O-] ZINC000739867673 576511949 /nfs/dbraw/zinc/51/19/49/576511949.db2.gz JUILTIXZVHPMBY-OAHLLOKOSA-N -1 3 345.361 3.283 10 30 EGEEHM O=C([N-]CC(F)(C(F)(F)F)C(F)(F)F)C1(C(F)F)CCC1 ZINC000899093028 1310930028 /nfs/dbraw/zinc/93/00/28/1310930028.db2.gz MHEMSSYJEFUPAJ-UHFFFAOYSA-N -1 3 331.178 3.371 10 30 EGEEHM Cn1ncc(C(=O)N([O-])CCCCc2ccccc2)c1C(F)(F)F ZINC001184293574 1387423494 /nfs/dbraw/zinc/42/34/94/1387423494.db2.gz ZBSVTSSABPIWOC-UHFFFAOYSA-N -1 3 341.333 3.293 10 30 EGEEHM O=C([C@H]1COc2cc(F)ccc2C1)N([O-])Cc1ccccc1Cl ZINC001184293139 1387423749 /nfs/dbraw/zinc/42/37/49/1387423749.db2.gz GTCKQDYULNRNQZ-CYBMUJFWSA-N -1 3 335.762 3.448 10 30 EGEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001190519939 1367284365 /nfs/dbraw/zinc/28/43/65/1367284365.db2.gz VBBVTITWKSTADV-GFCCVEGCSA-N -1 3 339.766 3.439 10 30 EGEEHM C=CCO[C@@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001325271451 1387925916 /nfs/dbraw/zinc/92/59/16/1387925916.db2.gz QBVHCZDEBDLPNP-GOSISDBHSA-N -1 3 337.419 3.400 10 30 EGEEHM C=CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1 ZINC001188426855 1388307955 /nfs/dbraw/zinc/30/79/55/1388307955.db2.gz JIIXDNLAQJGSLD-CYBMUJFWSA-N -1 3 338.379 3.346 10 30 EGEEHM C=CC[C@H](CO)CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001137919855 1377645223 /nfs/dbraw/zinc/64/52/23/1377645223.db2.gz XTPVCDYTICLGHT-SFHVURJKSA-N -1 3 339.435 3.092 10 30 EGEEHM C=C(C)CO[N-]C(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001144640460 1378754342 /nfs/dbraw/zinc/75/43/42/1378754342.db2.gz XRKWVCWNJDCMMZ-UHFFFAOYSA-N -1 3 340.464 3.476 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@@H](CCCC)NC(=O)c1ccccc1[O-] ZINC001286065847 1380761471 /nfs/dbraw/zinc/76/14/71/1380761471.db2.gz NXLUKFBCCZGQEZ-CQSZACIVSA-N -1 3 332.444 3.009 10 30 EGEEHM C=C1CCC(C(=O)Nc2nc3c(cccc3C(=O)OCC)[n-]2)CC1 ZINC001289643671 1382005634 /nfs/dbraw/zinc/00/56/34/1382005634.db2.gz HGIHUHKYEFRLMJ-UHFFFAOYSA-N -1 3 327.384 3.425 10 30 EGEEHM Cc1cn2ccnc(C(=O)N([O-])Cc3cccc4ccccc43)c2n1 ZINC001161842338 1382526645 /nfs/dbraw/zinc/52/66/45/1382526645.db2.gz BJJIJRPLBIBJCF-UHFFFAOYSA-N -1 3 332.363 3.223 10 30 EGEEHM CCC(=O)N1CCCC[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896453 1383916751 /nfs/dbraw/zinc/91/67/51/1383916751.db2.gz XQRDITZXIFIROJ-KRWDZBQOSA-N -1 3 332.444 3.018 10 30 EGEEHM C=CCCC[C@@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)OC ZINC001177964963 1386096988 /nfs/dbraw/zinc/09/69/88/1386096988.db2.gz YWWYJOHXTIMENQ-CYBMUJFWSA-N -1 3 345.773 3.446 10 30 EGEEHM C=C(C)C[C@H](NCc1cccc([O-])c1Br)C(=O)OCC ZINC001338289850 1389620264 /nfs/dbraw/zinc/62/02/64/1389620264.db2.gz SCSMHMHXIMSWDJ-LBPRGKRZSA-N -1 3 342.233 3.142 10 30 EGEEHM CCNc1ccc(C#N)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001341835950 1390535257 /nfs/dbraw/zinc/53/52/57/1390535257.db2.gz DFWXDOCCXPJGPA-UHFFFAOYSA-N -1 3 337.305 3.117 10 30 EGEEHM N#Cc1ccsc1[N-]C(=O)c1nc(F)ccc1Br ZINC001354178210 1392125288 /nfs/dbraw/zinc/12/52/88/1392125288.db2.gz DUSPAPIZBLSYRA-UHFFFAOYSA-N -1 3 326.150 3.169 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001759489059 1441296453 /nfs/dbraw/zinc/29/64/53/1441296453.db2.gz WMFIJJLBMMMZJP-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM COc1ccc(NC(=O)[C@@H](C)Oc2ccc(/C(C)=N/[O-])cc2)cc1 ZINC000100710049 219104897 /nfs/dbraw/zinc/10/48/97/219104897.db2.gz ZOHHXJQOQLECCJ-HMHKGCENSA-N -1 3 328.368 3.299 10 30 EGEEHM N/C(=N\[O-])c1ccccc1OCc1cc(Br)ccc1F ZINC000019434444 212027469 /nfs/dbraw/zinc/02/74/69/212027469.db2.gz LVEACMCUMQQPLA-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM O=S(=O)([N-]CC#Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000012916714 211483426 /nfs/dbraw/zinc/48/34/26/211483426.db2.gz AUSJSGMAIFGDBQ-UHFFFAOYSA-N -1 3 340.231 3.323 10 30 EGEEHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000009155156 258053902 /nfs/dbraw/zinc/05/39/02/258053902.db2.gz PTGLAVMBRKPGTG-BMIGLBTASA-N -1 3 349.485 3.068 10 30 EGEEHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)cc1 ZINC000432762629 267292998 /nfs/dbraw/zinc/29/29/98/267292998.db2.gz IIWRNCCCILHHHF-UHFFFAOYSA-N -1 3 335.816 3.078 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c1 ZINC000321771564 268098797 /nfs/dbraw/zinc/09/87/97/268098797.db2.gz PPTMYDGDKUSOLT-HNNXBMFYSA-N -1 3 346.839 3.047 10 30 EGEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)cc1[O-] ZINC000620303956 460607252 /nfs/dbraw/zinc/60/72/52/460607252.db2.gz KTJYIMRBQLQYLU-OKILXGFUSA-N -1 3 336.229 3.407 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nccs1 ZINC000159979563 455420221 /nfs/dbraw/zinc/42/02/21/455420221.db2.gz DCXVYCXSIZRWRA-LBPRGKRZSA-N -1 3 341.845 3.098 10 30 EGEEHM CS(=O)(=O)[N-]c1ccc(C(=O)/C=C/c2csc(C3CC3)n2)cc1 ZINC000071892660 454244613 /nfs/dbraw/zinc/24/46/13/454244613.db2.gz VJSDROWGRXUKEE-CMDGGOBGSA-N -1 3 348.449 3.288 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000292708798 455737469 /nfs/dbraw/zinc/73/74/69/455737469.db2.gz HGHFIZJMVMYCKI-ZDUSSCGKSA-N -1 3 339.773 3.491 10 30 EGEEHM N#Cc1c([N-]C(=O)c2cn3ccnc3s2)sc2c1CCCC2 ZINC000188142401 456007828 /nfs/dbraw/zinc/00/78/28/456007828.db2.gz FHOLOTACLLITHQ-UHFFFAOYSA-N -1 3 328.422 3.460 10 30 EGEEHM CCOC(=O)Cc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000297406033 456212578 /nfs/dbraw/zinc/21/25/78/456212578.db2.gz KYOWEIJZASBZDK-UHFFFAOYSA-N -1 3 344.396 3.073 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000282579257 456558975 /nfs/dbraw/zinc/55/89/75/456558975.db2.gz PKHNNXGZMXTGIR-UHFFFAOYSA-N -1 3 346.374 3.314 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000353414616 456685664 /nfs/dbraw/zinc/68/56/64/456685664.db2.gz BUZFJUQGCLQQGU-UHFFFAOYSA-N -1 3 336.101 3.074 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000340070915 457327533 /nfs/dbraw/zinc/32/75/33/457327533.db2.gz ODVLBAYNDXWNFI-UHFFFAOYSA-N -1 3 344.396 3.453 10 30 EGEEHM C=C(C)CC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000386727074 457431417 /nfs/dbraw/zinc/43/14/17/457431417.db2.gz UGNIGTWRJKZDME-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM CNC(=O)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361529985 457773183 /nfs/dbraw/zinc/77/31/83/457773183.db2.gz HODRPPSKNSGQGE-QGZVFWFLSA-N -1 3 329.359 3.084 10 30 EGEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cn(C)c4ccc(F)cc34)nc1-2 ZINC000361722114 457828213 /nfs/dbraw/zinc/82/82/13/457828213.db2.gz XZABFCKTPZOFAA-ZDUSSCGKSA-N -1 3 347.353 3.387 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000447929366 458366709 /nfs/dbraw/zinc/36/67/09/458366709.db2.gz JZEHLUWLXMMIDM-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)c([O-])c2O1 ZINC000436754641 458374816 /nfs/dbraw/zinc/37/48/16/458374816.db2.gz JHTPIRFJYOSQRX-OAHLLOKOSA-N -1 3 340.354 3.239 10 30 EGEEHM C=CCc1cc(CNC(=O)c2cccc(C)c2[O-])cc(OC)c1OC ZINC000436988692 458417656 /nfs/dbraw/zinc/41/76/56/458417656.db2.gz XSBMDYSVGSQMSJ-UHFFFAOYSA-N -1 3 341.407 3.376 10 30 EGEEHM CCCN(CCC)S(=O)(=O)[N-]c1cc(C#N)ccc1OC(C)C ZINC000531345089 458903942 /nfs/dbraw/zinc/90/39/42/458903942.db2.gz MZVOACHEZHNJKS-UHFFFAOYSA-N -1 3 339.461 3.124 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000590257286 459106567 /nfs/dbraw/zinc/10/65/67/459106567.db2.gz ABLQSEQLEUHMDX-UHFFFAOYSA-N -1 3 329.772 3.311 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000594869645 459164059 /nfs/dbraw/zinc/16/40/59/459164059.db2.gz OVAVVSCHWVUXCW-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F ZINC000558682244 459195898 /nfs/dbraw/zinc/19/58/98/459195898.db2.gz GBIVUBZDPJGVPC-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM C=CC[C@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597863075 460083744 /nfs/dbraw/zinc/08/37/44/460083744.db2.gz CTUOWXPCPKIYFX-YJBOKZPZSA-N -1 3 341.455 3.459 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H]2C(C)(C)C2(F)F)c1 ZINC000641410225 461239444 /nfs/dbraw/zinc/23/94/44/461239444.db2.gz BMKJTHKGPXTTSL-ZDUSSCGKSA-N -1 3 331.384 3.284 10 30 EGEEHM C=CC(C)(C)CCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640303252 462355054 /nfs/dbraw/zinc/35/50/54/462355054.db2.gz RQHLIHYVAQVBIZ-UHFFFAOYSA-N -1 3 338.761 3.245 10 30 EGEEHM CC(=[NH+][N-]c1nnc(SCC(C)C)[n-]1)c1ccc2c(c1)OCO2 ZINC000020468750 518454829 /nfs/dbraw/zinc/45/48/29/518454829.db2.gz YERSGRFMHFYILH-YVLHZVERSA-N -1 3 333.417 3.118 10 30 EGEEHM CC(=NNc1nnc(SCC(C)C)[n-]1)c1ccc2c(c1)OCO2 ZINC000020468750 518454834 /nfs/dbraw/zinc/45/48/34/518454834.db2.gz YERSGRFMHFYILH-YVLHZVERSA-N -1 3 333.417 3.118 10 30 EGEEHM CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000733315149 575327194 /nfs/dbraw/zinc/32/71/94/575327194.db2.gz RTSVAPUDHGQXTR-UHFFFAOYSA-N -1 3 334.363 3.434 10 30 EGEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc(-c2cscn2)c1 ZINC000744039958 576819354 /nfs/dbraw/zinc/81/93/54/576819354.db2.gz UUNAFWZXTHNVFS-CQSZACIVSA-N -1 3 348.387 3.166 10 30 EGEEHM COc1cc(C(=O)/C=C/c2ccc3c(c2)sc(=O)n3C)ccc1[O-] ZINC000170612968 1294374511 /nfs/dbraw/zinc/37/45/11/1294374511.db2.gz DZSSVHATUQBANK-QPJJXVBHSA-N -1 3 341.388 3.210 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000916043445 1319595265 /nfs/dbraw/zinc/59/52/65/1319595265.db2.gz VQBVLNFSGJNHRA-JSGCOSHPSA-N -1 3 347.465 3.171 10 30 EGEEHM C#CC1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCCC1 ZINC000922212943 1322479289 /nfs/dbraw/zinc/47/92/89/1322479289.db2.gz UOOKOLTWBOXDDX-UHFFFAOYSA-N -1 3 335.429 3.166 10 30 EGEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1c([O-])cccc1F ZINC000928712240 1328407633 /nfs/dbraw/zinc/40/76/33/1328407633.db2.gz PEVYEELUAYLOKV-GOSISDBHSA-N -1 3 342.370 3.123 10 30 EGEEHM O=C([C@H]1CCCC12OCCO2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235302 1387417891 /nfs/dbraw/zinc/41/78/91/1387417891.db2.gz IXJKNLAPTMQVII-CYBMUJFWSA-N -1 3 346.210 3.254 10 30 EGEEHM CCCCCCN([O-])C(=O)C1=NN(c2ccccc2)[C@@H](C(C)=O)C1 ZINC001184305414 1387424968 /nfs/dbraw/zinc/42/49/68/1387424968.db2.gz IPMSTRIAJFPNLE-QGZVFWFLSA-N -1 3 331.416 3.008 10 30 EGEEHM C=CCCOCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001138032405 1377668738 /nfs/dbraw/zinc/66/87/38/1377668738.db2.gz DTJKYKBBXPKROK-UHFFFAOYSA-N -1 3 339.435 3.500 10 30 EGEEHM C#C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC001157507851 1380949947 /nfs/dbraw/zinc/94/99/47/1380949947.db2.gz KHDDPMRGAOHTMT-HNNXBMFYSA-N -1 3 335.737 3.357 10 30 EGEEHM COc1cc([N+](=O)[O-])ccc1C(=O)N([O-])Cc1ccccc1Cl ZINC001161807650 1382513383 /nfs/dbraw/zinc/51/33/83/1382513383.db2.gz MHJKMFKADLZVLN-UHFFFAOYSA-N -1 3 336.731 3.288 10 30 EGEEHM N#Cc1nnc2ccccc2c1NCCc1c(F)cc([O-])cc1F ZINC001164212495 1383166496 /nfs/dbraw/zinc/16/64/96/1383166496.db2.gz SASVBCVKRJXTEF-UHFFFAOYSA-N -1 3 326.306 3.140 10 30 EGEEHM Cc1cc(NCCc2c(F)cc([O-])cc2F)c(C#N)cc1[N+](=O)[O-] ZINC001164212697 1383166646 /nfs/dbraw/zinc/16/66/46/1383166646.db2.gz ZCLMFUCUICMDPG-UHFFFAOYSA-N -1 3 333.294 3.413 10 30 EGEEHM Cc1cc(=O)c(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c[nH]1 ZINC001306893061 1383915747 /nfs/dbraw/zinc/91/57/47/1383915747.db2.gz IUYUSTYELWAASJ-UHFFFAOYSA-N -1 3 327.167 3.022 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333524545 1390327994 /nfs/dbraw/zinc/32/79/94/1390327994.db2.gz YHXLCGIZFTUDKZ-HOTGVXAUSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333524546 1390328109 /nfs/dbraw/zinc/32/81/09/1390328109.db2.gz YHXLCGIZFTUDKZ-HZPDHXFCSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001354179926 1392125451 /nfs/dbraw/zinc/12/54/51/1392125451.db2.gz BQMBUXHNBMEFRR-UHFFFAOYSA-N -1 3 344.455 3.152 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2nc(-c3ccccc3)ns2)nc1Cl ZINC001354663173 1392159753 /nfs/dbraw/zinc/15/97/53/1392159753.db2.gz ZMJZXNIFJFCCDV-UHFFFAOYSA-N -1 3 341.783 3.377 10 30 EGEEHM C=CC(C)(C)CC(=O)N1CCC[C@@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001718719238 1422061585 /nfs/dbraw/zinc/06/15/85/1422061585.db2.gz ZCHATCOJABWXCY-GDBMZVCRSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001719350361 1422335008 /nfs/dbraw/zinc/33/50/08/1422335008.db2.gz FDTMDYVIBBMSSP-DJIMGWMZSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001726080011 1426805707 /nfs/dbraw/zinc/80/57/07/1426805707.db2.gz ZLVCBLNGNOBRMJ-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001734696955 1438226706 /nfs/dbraw/zinc/22/67/06/1438226706.db2.gz XIIYGGSOJNMNEZ-GJZGRUSLSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735463994 1438500984 /nfs/dbraw/zinc/50/09/84/1438500984.db2.gz UYRPTOXUDLTSEU-WMLDXEAASA-N -1 3 346.471 3.255 10 30 EGEEHM N/C(=N\[O-])c1cccc(OCc2ccc(F)cc2Br)c1 ZINC000019433369 212027094 /nfs/dbraw/zinc/02/70/94/212027094.db2.gz ONZITNNEYOVYEP-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM CCc1cc(C#N)c([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)s1 ZINC000112172191 162164789 /nfs/dbraw/zinc/16/47/89/162164789.db2.gz AAHFLIYVAUIGCG-UHFFFAOYSA-N -1 3 343.437 3.291 10 30 EGEEHM N#Cc1ccccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451749436 270053315 /nfs/dbraw/zinc/05/33/15/270053315.db2.gz QOZPKQCEICLILS-AAEUAGOBSA-N -1 3 346.374 3.348 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c(Cl)c1 ZINC000503451569 268254823 /nfs/dbraw/zinc/25/48/23/268254823.db2.gz WSKHGIZWLZXYSY-DAXSKMNVSA-N -1 3 332.812 3.203 10 30 EGEEHM Cc1c(C[N-]S(=O)(=O)c2ccccc2C#N)oc2ccccc12 ZINC000157603715 307848216 /nfs/dbraw/zinc/84/82/16/307848216.db2.gz HETFPCLKAILPHH-UHFFFAOYSA-N -1 3 326.377 3.091 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(CC#N)c3)cc2)n1 ZINC000069485427 454111339 /nfs/dbraw/zinc/11/13/39/454111339.db2.gz RJBUTGXXQIDFEO-UHFFFAOYSA-N -1 3 344.374 3.064 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nccs1 ZINC000159952425 455418799 /nfs/dbraw/zinc/41/87/99/455418799.db2.gz SLFFOCYVFUZVQM-LBPRGKRZSA-N -1 3 341.845 3.098 10 30 EGEEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000073974083 454510462 /nfs/dbraw/zinc/51/04/62/454510462.db2.gz YZVQGHHAHKRLRM-LBPRGKRZSA-N -1 3 330.731 3.310 10 30 EGEEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000073974083 454510465 /nfs/dbraw/zinc/51/04/65/454510465.db2.gz YZVQGHHAHKRLRM-LBPRGKRZSA-N -1 3 330.731 3.310 10 30 EGEEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000073974083 454510470 /nfs/dbraw/zinc/51/04/70/454510470.db2.gz YZVQGHHAHKRLRM-LBPRGKRZSA-N -1 3 330.731 3.310 10 30 EGEEHM CSc1nccn1-c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049458790 454549578 /nfs/dbraw/zinc/54/95/78/454549578.db2.gz QMTSDNVDLVXHHC-OAHLLOKOSA-N -1 3 334.404 3.479 10 30 EGEEHM O=C(CCCC1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1)N[O-] ZINC000148663301 454871589 /nfs/dbraw/zinc/87/15/89/454871589.db2.gz OZDZLSYQELXEDT-UHFFFAOYSA-N -1 3 344.415 3.088 10 30 EGEEHM C=CCNc1ncc(C(=O)[N-]c2ncn(C3CCCCC3)n2)s1 ZINC000182886628 455185034 /nfs/dbraw/zinc/18/50/34/455185034.db2.gz FNFAXUFDWHEZDK-UHFFFAOYSA-N -1 3 332.433 3.090 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1cc3nccnc3cc1F)CCCC2 ZINC000348411293 456672694 /nfs/dbraw/zinc/67/26/94/456672694.db2.gz PRUZAJUOIACZPI-UHFFFAOYSA-N -1 3 347.353 3.167 10 30 EGEEHM C[C@@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000341884110 456985648 /nfs/dbraw/zinc/98/56/48/456985648.db2.gz FOZLJOPVDBMQLF-QFYYESIMSA-N -1 3 348.811 3.012 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000347091549 457226144 /nfs/dbraw/zinc/22/61/44/457226144.db2.gz PBCXRCXOMPDZSF-ODXCJYRJSA-N -1 3 349.434 3.258 10 30 EGEEHM N#CCCC[C@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000352174441 457344730 /nfs/dbraw/zinc/34/47/30/457344730.db2.gz NBXXIQOVNCQLGZ-HNNXBMFYSA-N -1 3 337.358 3.262 10 30 EGEEHM N#CCCC[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000352174441 457344735 /nfs/dbraw/zinc/34/47/35/457344735.db2.gz NBXXIQOVNCQLGZ-HNNXBMFYSA-N -1 3 337.358 3.262 10 30 EGEEHM N#CCCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000352174441 457344741 /nfs/dbraw/zinc/34/47/41/457344741.db2.gz NBXXIQOVNCQLGZ-HNNXBMFYSA-N -1 3 337.358 3.262 10 30 EGEEHM COC(C)(C)c1nc(C)c(C(=O)[N-]c2snc(C)c2C#N)s1 ZINC000410811672 457757326 /nfs/dbraw/zinc/75/73/26/457757326.db2.gz LRXLQPJHWRKFGK-UHFFFAOYSA-N -1 3 336.442 3.222 10 30 EGEEHM C=CCOc1ccccc1CNC[C@@H](Oc1ccc(F)cc1)C(=O)[O-] ZINC000426646559 457870039 /nfs/dbraw/zinc/87/00/39/457870039.db2.gz JVUIXFFZJYBKJI-GOSISDBHSA-N -1 3 345.370 3.012 10 30 EGEEHM C=CCC1(C(=O)N=c2cc(-c3ccccc3C)[n-][nH]2)CCOCC1 ZINC000424751337 458725319 /nfs/dbraw/zinc/72/53/19/458725319.db2.gz IPPMHAUPLVOACT-UHFFFAOYSA-N -1 3 325.412 3.118 10 30 EGEEHM Cc1ccc2c(c1C)OC[C@@H]2[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000475794946 458965823 /nfs/dbraw/zinc/96/58/23/458965823.db2.gz ISSXZCLHMXXJSK-INIZCTEOSA-N -1 3 348.468 3.130 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCC(F)(F)CC1 ZINC000594486206 459057590 /nfs/dbraw/zinc/05/75/90/459057590.db2.gz DMZGQXKRDBRGHK-SECBINFHSA-N -1 3 334.413 3.112 10 30 EGEEHM C[C@@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443070479 459084282 /nfs/dbraw/zinc/08/42/82/459084282.db2.gz QTHGXYKRIHSSRU-DIFFPNOSSA-N -1 3 346.839 3.423 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(F)ccc2Cl)CCCCC1 ZINC000594884254 459166885 /nfs/dbraw/zinc/16/68/85/459166885.db2.gz KXDWNPHEDFRORI-UHFFFAOYSA-N -1 3 344.839 3.373 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)c(Cl)cc1F ZINC000593619851 459935405 /nfs/dbraw/zinc/93/54/05/459935405.db2.gz HQXFFNVOZGLKMS-UHFFFAOYSA-N -1 3 330.812 3.150 10 30 EGEEHM COC(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)c(C)o1 ZINC000598801136 460040823 /nfs/dbraw/zinc/04/08/23/460040823.db2.gz WPCYKFQLXKXYFX-UHFFFAOYSA-N -1 3 330.365 3.049 10 30 EGEEHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188881 460048683 /nfs/dbraw/zinc/04/86/83/460048683.db2.gz OEUKZPCJQDEYKZ-MRXNPFEDSA-N -1 3 349.434 3.000 10 30 EGEEHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621989645 460150291 /nfs/dbraw/zinc/15/02/91/460150291.db2.gz PSGIZQFYYYUWPS-YGRLFVJLSA-N -1 3 329.318 3.122 10 30 EGEEHM N#Cc1ccc(CN[C@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000617345460 460821530 /nfs/dbraw/zinc/82/15/30/460821530.db2.gz UBILKBDKYYJCFM-HNNXBMFYSA-N -1 3 345.196 3.236 10 30 EGEEHM Cc1scc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000601744666 460887773 /nfs/dbraw/zinc/88/77/73/460887773.db2.gz MQQCCZMMICNNIS-UHFFFAOYSA-N -1 3 343.452 3.203 10 30 EGEEHM CC(=O)Nc1ccc([O-])c(C(C)=NNCc2ccc(F)cc2F)c1 ZINC000727059812 574638610 /nfs/dbraw/zinc/63/86/10/574638610.db2.gz CTLNEMMPCXGVHG-UHFFFAOYSA-N -1 3 333.338 3.143 10 30 EGEEHM COc1cccc([O-])c1/C=N\[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000730146627 574925534 /nfs/dbraw/zinc/92/55/34/574925534.db2.gz CIKGPFMPFVNTAK-UAAGNOOKSA-N -1 3 329.396 3.468 10 30 EGEEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1N(C)C ZINC000731782445 575207300 /nfs/dbraw/zinc/20/73/00/575207300.db2.gz FMXYXVWBDQVLML-UHFFFAOYSA-N -1 3 349.843 3.387 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000134115725 1293762808 /nfs/dbraw/zinc/76/28/08/1293762808.db2.gz YZSMQZZVRORMTQ-FPAJZGIOSA-N -1 3 327.771 3.069 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000134115725 1293762811 /nfs/dbraw/zinc/76/28/11/1293762811.db2.gz YZSMQZZVRORMTQ-FPAJZGIOSA-N -1 3 327.771 3.069 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(C)(F)F ZINC000867787561 1330220608 /nfs/dbraw/zinc/22/06/08/1330220608.db2.gz ZGJFXPONKGSTTH-UHFFFAOYSA-N -1 3 336.791 3.171 10 30 EGEEHM C=C1CC(C)(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(C)cc3)n2)C1 ZINC000896910589 1310080025 /nfs/dbraw/zinc/08/00/25/1310080025.db2.gz BLLFXMSHFGOEQP-ZDUSSCGKSA-N -1 3 347.440 3.025 10 30 EGEEHM O=C(c1c[nH]c(=S)n1-c1ccccc1)N([O-])Cc1ccc(F)cc1 ZINC001184348689 1387436091 /nfs/dbraw/zinc/43/60/91/1387436091.db2.gz QNJHOIYBSVVABT-UHFFFAOYSA-N -1 3 343.383 3.332 10 30 EGEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001192461227 1367788352 /nfs/dbraw/zinc/78/83/52/1367788352.db2.gz ZSSMPAOBSXILTO-BXUZGUMPSA-N -1 3 342.392 3.147 10 30 EGEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001192461228 1367788706 /nfs/dbraw/zinc/78/87/06/1367788706.db2.gz ZSSMPAOBSXILTO-FZMZJTMJSA-N -1 3 342.392 3.147 10 30 EGEEHM Cc1cc(C(=O)[N-]c2snc(C)c2C#N)oc1Br ZINC001128319739 1373250934 /nfs/dbraw/zinc/25/09/34/1373250934.db2.gz OPSHYPFFBYFAOG-UHFFFAOYSA-N -1 3 326.175 3.239 10 30 EGEEHM N#CCC[C@@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001230631893 1376109060 /nfs/dbraw/zinc/10/90/60/1376109060.db2.gz ZGFVUNFWWHJMDN-MRXNPFEDSA-N -1 3 327.359 3.376 10 30 EGEEHM CCCCCCN([O-])C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001306897096 1383917013 /nfs/dbraw/zinc/91/70/13/1383917013.db2.gz YSXLYJHSBLMECW-UHFFFAOYSA-N -1 3 339.348 3.234 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H](NC(=O)c1cccs1)C(C)C ZINC001306896585 1383917117 /nfs/dbraw/zinc/91/71/17/1383917117.db2.gz DFMCVFCQNJGHOP-AWEZNQCLSA-N -1 3 326.462 3.301 10 30 EGEEHM O=C(c1n[nH]cc1Br)N([O-])Cc1cccc2ccccc21 ZINC001306900282 1383917578 /nfs/dbraw/zinc/91/75/78/1383917578.db2.gz LMIOZQFLXDSOKI-UHFFFAOYSA-N -1 3 346.184 3.357 10 30 EGEEHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954129 1386646690 /nfs/dbraw/zinc/64/66/90/1386646690.db2.gz FUEODSDTADKUIH-UHFFFAOYSA-N -1 3 327.384 3.308 10 30 EGEEHM C=CC(C)(C)CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954129 1386646695 /nfs/dbraw/zinc/64/66/95/1386646695.db2.gz FUEODSDTADKUIH-UHFFFAOYSA-N -1 3 327.384 3.308 10 30 EGEEHM C#CCC1(C(=O)OCc2nnc(-c3ccccc3[O-])o2)CCCCC1 ZINC001331587074 1389815459 /nfs/dbraw/zinc/81/54/59/1389815459.db2.gz PGIWWUAHTMQMFP-UHFFFAOYSA-N -1 3 340.379 3.459 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2[C@H]1C ZINC001342852320 1390662938 /nfs/dbraw/zinc/66/29/38/1390662938.db2.gz ICKDMMCPNQSRFK-GFCCVEGCSA-N -1 3 337.383 3.296 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001351790734 1391690352 /nfs/dbraw/zinc/69/03/52/1391690352.db2.gz VMLZAXFWJVTXPU-GOSISDBHSA-N -1 3 341.415 3.151 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001689114475 1396922825 /nfs/dbraw/zinc/92/28/25/1396922825.db2.gz VTLVFLXVAHFGAK-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001689123835 1396929423 /nfs/dbraw/zinc/92/94/23/1396929423.db2.gz FQKGYFPIECXURB-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM C#CCN[C@H](CNC(=O)c1ccccc1[O-])c1ccc(C(C)C)cc1 ZINC001732018428 1428235272 /nfs/dbraw/zinc/23/52/72/1428235272.db2.gz WEQLVQGSEPGRLI-LJQANCHMSA-N -1 3 336.435 3.210 10 30 EGEEHM C=CCCCC(=O)N(CCC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704464086 1416543230 /nfs/dbraw/zinc/54/32/30/1416543230.db2.gz WDUYAVYOPOAMAP-INIZCTEOSA-N -1 3 344.455 3.202 10 30 EGEEHM C=CCCCC(=O)NCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001722247791 1424171080 /nfs/dbraw/zinc/17/10/80/1424171080.db2.gz VWESQTQHZIGJOH-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001739185706 1439291932 /nfs/dbraw/zinc/29/19/32/1439291932.db2.gz ASEUEYLCGZYEJY-HUUCEWRRSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)CCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001739274379 1439329732 /nfs/dbraw/zinc/32/97/32/1439329732.db2.gz XVZMVUNEENSHRB-MRXNPFEDSA-N -1 3 344.455 3.202 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001747610814 1439999500 /nfs/dbraw/zinc/99/95/00/1439999500.db2.gz DVTUNZCZTKQKSD-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NC[C@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001748233355 1440085522 /nfs/dbraw/zinc/08/55/22/1440085522.db2.gz GXLACUPBQGHUFT-FQEVSTJZSA-N -1 3 344.455 3.107 10 30 EGEEHM [O-]c1c(O)ccc(C=NNc2ccnc3cc(Cl)ccc32)c1O ZINC000004965504 210342679 /nfs/dbraw/zinc/34/26/79/210342679.db2.gz KXRREBPUFAMIRF-UFWORHAWSA-N -1 3 329.743 3.451 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1occc1Br)CCCC2 ZINC000122081003 222009829 /nfs/dbraw/zinc/00/98/29/222009829.db2.gz IQKCXMWUGUFNEB-UHFFFAOYSA-N -1 3 346.184 3.440 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416550928 268160200 /nfs/dbraw/zinc/16/02/00/268160200.db2.gz ACNUPUFMJDHZCV-UHFFFAOYSA-N -1 3 348.802 3.314 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000443040043 268182484 /nfs/dbraw/zinc/18/24/84/268182484.db2.gz UDUHRLNZTIXUOC-MRXNPFEDSA-N -1 3 346.839 3.047 10 30 EGEEHM O=c1oc(C#Cc2ccc(F)cc2)nc([O-])c1-c1ccc(F)cc1 ZINC000095835515 275044218 /nfs/dbraw/zinc/04/42/18/275044218.db2.gz UEFNRLDDEMOWJP-UHFFFAOYSA-N -1 3 325.270 3.085 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000555414850 315383470 /nfs/dbraw/zinc/38/34/70/315383470.db2.gz LZZLHFJAGHYUIG-HOCLYGCPSA-N -1 3 346.839 3.294 10 30 EGEEHM C/C=C\C[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000600801973 460610080 /nfs/dbraw/zinc/61/00/80/460610080.db2.gz BRSWCMAHFNLSDF-YIEVGGLXSA-N -1 3 341.455 3.413 10 30 EGEEHM C[C@@H]([N-]C(=O)[C@@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000025425907 453772140 /nfs/dbraw/zinc/77/21/40/453772140.db2.gz WGNUDVQAHOGFJX-GMSGAONNSA-N -1 3 332.219 3.201 10 30 EGEEHM Cc1nn(C)c2nc(C(C)C)cc(C([O-])=C(C#N)c3ccccn3)c12 ZINC000041482301 453968763 /nfs/dbraw/zinc/96/87/63/453968763.db2.gz NNSASTBUGRQKPO-CQSZACIVSA-N -1 3 333.395 3.285 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)ccc1[O-] ZINC000130172727 454178375 /nfs/dbraw/zinc/17/83/75/454178375.db2.gz VIIZNCDSISRKOL-UHFFFAOYSA-N -1 3 326.352 3.437 10 30 EGEEHM Cn1cc([C@H]2CC(c3cccc([O-])c3)=NN2c2cccc(C#N)c2)cn1 ZINC000048326429 454474164 /nfs/dbraw/zinc/47/41/64/454474164.db2.gz RHRAYHPGFTYJCJ-HXUWFJFHSA-N -1 3 343.390 3.353 10 30 EGEEHM Cc1cccc2c(=O)[nH]c3c(-c4nc5ccccc5s4)c([O-])cn3c12 ZINC000102231346 454496311 /nfs/dbraw/zinc/49/63/11/454496311.db2.gz FOGNRZGSWGQYBZ-UHFFFAOYSA-N -1 3 347.399 3.106 10 30 EGEEHM COc1cc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000190900350 455400745 /nfs/dbraw/zinc/40/07/45/455400745.db2.gz WFTUISUGUJBDID-CQSZACIVSA-N -1 3 347.374 3.446 10 30 EGEEHM COc1cc(OC)cc(N(C)C(=O)[N-]c2snc(C)c2C#N)c1 ZINC000297385842 456206566 /nfs/dbraw/zinc/20/65/66/456206566.db2.gz IXMGILMSPBHXJH-UHFFFAOYSA-N -1 3 332.385 3.009 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000274507590 456260117 /nfs/dbraw/zinc/26/01/17/456260117.db2.gz MTCJANOLUQRGJD-LBPRGKRZSA-N -1 3 339.819 3.150 10 30 EGEEHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000340857104 456723822 /nfs/dbraw/zinc/72/38/22/456723822.db2.gz FURPNMSBTJJQLZ-ZDUSSCGKSA-N -1 3 332.766 3.287 10 30 EGEEHM COCCOc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000338689543 456853194 /nfs/dbraw/zinc/85/31/94/456853194.db2.gz WBWSMSRIGRPWLT-GOSISDBHSA-N -1 3 347.374 3.145 10 30 EGEEHM C=C[C@](C)(O)CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000353712209 456867788 /nfs/dbraw/zinc/86/77/88/456867788.db2.gz RMEZXHBVPSXDHT-HNNXBMFYSA-N -1 3 340.210 3.071 10 30 EGEEHM N#CC(=C([O-])c1cccc2c1OCCO2)c1nccc2ccccc21 ZINC000361531186 457774374 /nfs/dbraw/zinc/77/43/74/457774374.db2.gz PKNOAUCKLVOVOI-MRXNPFEDSA-N -1 3 330.343 3.496 10 30 EGEEHM C=CCn1c(=O)[n-]nc1S[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000366118665 457794416 /nfs/dbraw/zinc/79/44/16/457794416.db2.gz NJWAZEPNHFCHNI-SNVBAGLBSA-N -1 3 329.385 3.073 10 30 EGEEHM CC1(C#N)CCN(C(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000444300651 457881968 /nfs/dbraw/zinc/88/19/68/457881968.db2.gz AAJYJMLWMYXJFL-UHFFFAOYSA-N -1 3 348.402 3.389 10 30 EGEEHM C[C@H](C#N)CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000548378274 458871692 /nfs/dbraw/zinc/87/16/92/458871692.db2.gz HRNHUIDYBUXEFK-CQSZACIVSA-N -1 3 348.402 3.387 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000594534751 459081931 /nfs/dbraw/zinc/08/19/31/459081931.db2.gz BNNYEMAXRZXSGR-YUELXQCFSA-N -1 3 338.411 3.348 10 30 EGEEHM CCc1ccc([C@@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000489966535 459573442 /nfs/dbraw/zinc/57/34/42/459573442.db2.gz PLAFRCRAJQCJKD-GOSISDBHSA-N -1 3 331.375 3.085 10 30 EGEEHM C=CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000573267006 459651441 /nfs/dbraw/zinc/65/14/41/459651441.db2.gz WSZPRTGVKSUOHJ-UHFFFAOYSA-N -1 3 345.848 3.151 10 30 EGEEHM Cc1nccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)c1Cl ZINC000593278512 459827408 /nfs/dbraw/zinc/82/74/08/459827408.db2.gz PZKYYRDNBJTGSA-UHFFFAOYSA-N -1 3 349.843 3.067 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCCc2ccccc21 ZINC000593528820 459916609 /nfs/dbraw/zinc/91/66/09/459916609.db2.gz ZSSGFNZCXBWRKB-CYBMUJFWSA-N -1 3 332.450 3.018 10 30 EGEEHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597863074 460083456 /nfs/dbraw/zinc/08/34/56/460083456.db2.gz CTUOWXPCPKIYFX-QAPCUYQASA-N -1 3 341.455 3.459 10 30 EGEEHM C=CCOc1cccnc1C(=O)[N-]c1nnc(CCC(C)C)s1 ZINC000617095267 460741621 /nfs/dbraw/zinc/74/16/21/460741621.db2.gz IPBKBVLHEZNGBG-UHFFFAOYSA-N -1 3 332.429 3.339 10 30 EGEEHM N#CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])CC2(CC2)C1 ZINC000601514925 460822872 /nfs/dbraw/zinc/82/28/72/460822872.db2.gz ZTVZLBUUHWCBTB-UHFFFAOYSA-N -1 3 326.274 3.313 10 30 EGEEHM C=C(C)[C@@H](CO)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000649412282 462502947 /nfs/dbraw/zinc/50/29/47/462502947.db2.gz PKIQMDUFYLUZAR-GFCCVEGCSA-N -1 3 325.821 3.066 10 30 EGEEHM O=C(CC(F)(F)F)N1CCC(/N=C\c2cc(Cl)ccc2[O-])CC1 ZINC000726890372 574596108 /nfs/dbraw/zinc/59/61/08/574596108.db2.gz KGDFAABALMHOLC-UKWGHVSLSA-N -1 3 348.752 3.408 10 30 EGEEHM N#CC(=C([O-])C=Cc1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000222114358 1296129751 /nfs/dbraw/zinc/12/97/51/1296129751.db2.gz YVEWBLBZXLUAOH-YXVBKTCISA-N -1 3 342.349 3.172 10 30 EGEEHM C=CCC[C@@H](C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898221069 1310635383 /nfs/dbraw/zinc/63/53/83/1310635383.db2.gz JGYKFFSBUQQNSQ-HZPDHXFCSA-N -1 3 325.412 3.181 10 30 EGEEHM C=CCCC[C@H](C(=O)NCc1nc(C)cc(=O)[n-]1)c1ccccc1 ZINC000898258931 1310649614 /nfs/dbraw/zinc/64/96/14/1310649614.db2.gz XUAPGFBBLKUYFG-INIZCTEOSA-N -1 3 325.412 3.247 10 30 EGEEHM C#CCCN(CC(F)(F)F)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000857717371 1328589730 /nfs/dbraw/zinc/58/97/30/1328589730.db2.gz VHZJOWMBDSAYFE-UHFFFAOYSA-N -1 3 339.235 3.439 10 30 EGEEHM O=c1ncccn1Cc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000917559750 1319837116 /nfs/dbraw/zinc/83/71/16/1319837116.db2.gz UYMWGKDVFRGQFU-UHFFFAOYSA-N -1 3 339.782 3.401 10 30 EGEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC001190519940 1367284474 /nfs/dbraw/zinc/28/44/74/1367284474.db2.gz VBBVTITWKSTADV-LBPRGKRZSA-N -1 3 339.766 3.439 10 30 EGEEHM C=CCO[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001325271452 1387925897 /nfs/dbraw/zinc/92/58/97/1387925897.db2.gz QBVHCZDEBDLPNP-SFHVURJKSA-N -1 3 337.419 3.400 10 30 EGEEHM C[C@@H](NCc1cc(OCC(F)F)ccn1)c1cccc(C#N)c1[O-] ZINC001118930377 1371252252 /nfs/dbraw/zinc/25/22/52/1371252252.db2.gz JOHFPTWPDZITKJ-LLVKDONJSA-N -1 3 333.338 3.154 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]1CCC ZINC001122400631 1372241833 /nfs/dbraw/zinc/24/18/33/1372241833.db2.gz SSWDRAANZVFMJY-LLVKDONJSA-N -1 3 335.843 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]1CCC ZINC001122400631 1372241836 /nfs/dbraw/zinc/24/18/36/1372241836.db2.gz SSWDRAANZVFMJY-LLVKDONJSA-N -1 3 335.843 3.062 10 30 EGEEHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC001211793647 1372616000 /nfs/dbraw/zinc/61/60/00/1372616000.db2.gz ANBNBCRKAXEFKL-UHFFFAOYSA-N -1 3 343.420 3.027 10 30 EGEEHM C#CC[C@H](COC)[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001131944820 1375061897 /nfs/dbraw/zinc/06/18/97/1375061897.db2.gz KTNNYLQOKMSACZ-SNVBAGLBSA-N -1 3 336.165 3.240 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288193803 1381692628 /nfs/dbraw/zinc/69/26/28/1381692628.db2.gz ODFCQEMNGSCBDE-MRXNPFEDSA-N -1 3 346.471 3.255 10 30 EGEEHM Cc1cc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)ncc1C#N ZINC001161281028 1382359371 /nfs/dbraw/zinc/35/93/71/1382359371.db2.gz TURUHTDYFXZEAL-UHFFFAOYSA-N -1 3 344.334 3.045 10 30 EGEEHM CC(C)C(=O)Nc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccn1 ZINC001161807229 1382513234 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C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001344024770 1390750818 /nfs/dbraw/zinc/75/08/18/1390750818.db2.gz RGODFVDNJZXBSJ-QINHECLXSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCCCC(=O)N[C@@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688088404 1396714115 /nfs/dbraw/zinc/71/41/15/1396714115.db2.gz YMDLVRBEGGHWPM-HOTGVXAUSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001689123833 1396929338 /nfs/dbraw/zinc/92/93/38/1396929338.db2.gz FQKGYFPIECXURB-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001703675811 1416017080 /nfs/dbraw/zinc/01/70/80/1416017080.db2.gz FZFHZHYIJGBBPM-RDJZCZTQSA-N -1 3 344.455 3.248 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001735379963 1438472465 /nfs/dbraw/zinc/47/24/65/1438472465.db2.gz WTMAHJPVQFSUFA-CABCVRRESA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001743982855 1439599296 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N#Cc1cccc([N+](=O)[O-])c1CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC000419583115 268292769 /nfs/dbraw/zinc/29/27/69/268292769.db2.gz GXZLBDKWSKXNFQ-UHFFFAOYSA-N -1 3 342.380 3.273 10 30 EGEEHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000341884109 279069354 /nfs/dbraw/zinc/06/93/54/279069354.db2.gz FOZLJOPVDBMQLF-MGPLVRAMSA-N -1 3 348.811 3.012 10 30 EGEEHM CCc1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)ccc1C ZINC000183297458 323606318 /nfs/dbraw/zinc/60/63/18/323606318.db2.gz POVVXFZJAKIDTI-UHFFFAOYSA-N -1 3 337.423 3.306 10 30 EGEEHM C=CCSc1nnc([N-][NH+]=Cc2ccc(N(CC)CC)cc2)[n-]1 ZINC000005927842 452909575 /nfs/dbraw/zinc/90/95/75/452909575.db2.gz NHIKBVZBGHDIAG-SFQUDFHCSA-N -1 3 330.461 3.375 10 30 EGEEHM CNC(=O)c1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736177 453945178 /nfs/dbraw/zinc/94/51/78/453945178.db2.gz ZWFWVOIKTJLJAV-QIENPNARSA-N -1 3 345.358 3.077 10 30 EGEEHM O=C(Nc1nnc(-c2cccs2)[n-]1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000095394882 454201397 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C=CCn1c(Sc2nc3cc([N+](=O)[O-])ccc3[n-]2)nnc1C1CC1 ZINC000296221015 455883710 /nfs/dbraw/zinc/88/37/10/455883710.db2.gz DHQKHOSLIWWDGQ-UHFFFAOYSA-N -1 3 342.384 3.277 10 30 EGEEHM C=CCC[C@@H](C(=O)Nc1cc(-c2nccn2C)[n-]n1)c1ccccc1 ZINC000188469072 456069156 /nfs/dbraw/zinc/06/91/56/456069156.db2.gz FSADPBKNCSLUOU-OAHLLOKOSA-N -1 3 335.411 3.499 10 30 EGEEHM C=CCC[C@@H](C(=O)Nc1cc(-c2nccn2C)n[n-]1)c1ccccc1 ZINC000188469072 456069162 /nfs/dbraw/zinc/06/91/62/456069162.db2.gz FSADPBKNCSLUOU-OAHLLOKOSA-N -1 3 335.411 3.499 10 30 EGEEHM CC(=O)c1ccsc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000297875781 456313984 /nfs/dbraw/zinc/31/39/84/456313984.db2.gz OMMWLONXZPOUAO-UHFFFAOYSA-N -1 3 343.408 3.111 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC2(CC2)CC1 ZINC000277434584 456824089 /nfs/dbraw/zinc/82/40/89/456824089.db2.gz MQVDTSAMDRFMSU-UHFFFAOYSA-N -1 3 327.428 3.047 10 30 EGEEHM Cc1nc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc2[nH]1 ZINC000340145305 457344851 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CCOc1cc(CNCC2(C#N)CCC2)cc(Br)c1[O-] ZINC000418144678 458372421 /nfs/dbraw/zinc/37/24/21/458372421.db2.gz UONMQXMSOMIILB-UHFFFAOYSA-N -1 3 339.233 3.337 10 30 EGEEHM C=CCC1(C(=O)Nc2cc(Br)ccc2[O-])CCOCC1 ZINC000424746716 458724684 /nfs/dbraw/zinc/72/46/84/458724684.db2.gz FAHAWBFWRCHEOA-UHFFFAOYSA-N -1 3 340.217 3.466 10 30 EGEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551500510 458888587 /nfs/dbraw/zinc/88/85/87/458888587.db2.gz RPGXETFKUMDURI-QMMMGPOBSA-N -1 3 338.654 3.345 10 30 EGEEHM Cc1cc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)cc1F ZINC000594869288 459164527 /nfs/dbraw/zinc/16/45/27/459164527.db2.gz GVTRDETVWPZYML-UHFFFAOYSA-N -1 3 328.384 3.026 10 30 EGEEHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000592384349 459587509 /nfs/dbraw/zinc/58/75/09/459587509.db2.gz SVNNOOKVYUNVDP-CQSZACIVSA-N -1 3 340.495 3.133 10 30 EGEEHM C[C@@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593584420 459928126 /nfs/dbraw/zinc/92/81/26/459928126.db2.gz FSCHFAKWTWNKQG-QMMMGPOBSA-N -1 3 326.365 3.019 10 30 EGEEHM N#Cc1c(F)cc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc1F ZINC000597494006 459973685 /nfs/dbraw/zinc/97/36/85/459973685.db2.gz KFHIUSMUMHEXHB-UHFFFAOYSA-N -1 3 331.326 3.185 10 30 EGEEHM N#Cc1ccc(C2(NCc3nc(=O)c4sccc4[n-]3)CCC2)cc1 ZINC000594030982 460063823 /nfs/dbraw/zinc/06/38/23/460063823.db2.gz CIHWWARWFFNFMA-UHFFFAOYSA-N -1 3 336.420 3.438 10 30 EGEEHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621989642 460150844 /nfs/dbraw/zinc/15/08/44/460150844.db2.gz PSGIZQFYYYUWPS-HZMBPMFUSA-N -1 3 329.318 3.122 10 30 EGEEHM C=CCN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)[C@@H](C)COC ZINC000661243890 462167569 /nfs/dbraw/zinc/16/75/69/462167569.db2.gz PDMUTRHGIWLSLS-LBPRGKRZSA-N -1 3 327.384 3.105 10 30 EGEEHM C=CCNC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000014112003 518899464 /nfs/dbraw/zinc/89/94/64/518899464.db2.gz WICKVZABWBEFTP-UHFFFAOYSA-N -1 3 340.861 3.329 10 30 EGEEHM CCOC(=O)CC[C@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000760230091 574978915 /nfs/dbraw/zinc/97/89/15/574978915.db2.gz 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CCN(c1cccc([O-])c1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000190360088 153134293 /nfs/dbraw/zinc/13/42/93/153134293.db2.gz VVUABGCWDHRUBU-UHFFFAOYSA-N -1 3 336.800 3.132 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000316034093 154158542 /nfs/dbraw/zinc/15/85/42/154158542.db2.gz BBBWROIKKFBZJH-UKRRQHHQSA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1cnc(C(=O)[N-]c2cc(-c3ccccc3F)on2)c(Cl)c1 ZINC000448491028 268308450 /nfs/dbraw/zinc/30/84/50/268308450.db2.gz FJAMFVOHSLXAPF-UHFFFAOYSA-N -1 3 342.717 3.075 10 30 EGEEHM COC(=O)Cc1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000616724199 460605399 /nfs/dbraw/zinc/60/53/99/460605399.db2.gz NULUROCQHQDEIM-SFHVURJKSA-N -1 3 344.370 3.440 10 30 EGEEHM COc1cc(CNCc2cccc(C#N)c2)cc(Br)c1[O-] ZINC000037748510 453938059 /nfs/dbraw/zinc/93/80/59/453938059.db2.gz UQONUQHMRAYCIT-UHFFFAOYSA-N -1 3 347.212 3.325 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N(CCC#N)Cc3ccco3)c([O-])c2O1 ZINC000094074112 454185033 /nfs/dbraw/zinc/18/50/33/454185033.db2.gz 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EGEEHM CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2nc(C)ccc2[O-])C1=O ZINC000728779333 574770613 /nfs/dbraw/zinc/77/06/13/574770613.db2.gz LMULUTLSKWYPJF-GOSISDBHSA-N -1 3 346.431 3.101 10 30 EGEEHM C=CCc1cc(OCC)cc(CN2CCOC[C@H]2C(F)(F)F)c1[O-] ZINC000739867667 576511965 /nfs/dbraw/zinc/51/19/65/576511965.db2.gz JUILTIXZVHPMBY-HNNXBMFYSA-N -1 3 345.361 3.283 10 30 EGEEHM N#Cc1cc(Cl)ccc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000871657668 1296471207 /nfs/dbraw/zinc/47/12/07/1296471207.db2.gz HIDXOYAVTWDGDN-UHFFFAOYSA-N -1 3 333.800 3.072 10 30 EGEEHM C=CCCC[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC000880517376 1301145941 /nfs/dbraw/zinc/14/59/41/1301145941.db2.gz PJEZFRBUEADHQT-OAHLLOKOSA-N -1 3 343.452 3.227 10 30 EGEEHM C=CCCC[C@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC000880517375 1301146037 /nfs/dbraw/zinc/14/60/37/1301146037.db2.gz PJEZFRBUEADHQT-HNNXBMFYSA-N -1 3 343.452 3.227 10 30 EGEEHM CC[C@@H](NCc1nccn1CC(F)(F)F)c1cccc(C#N)c1[O-] ZINC000924929836 1323216848 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O=C(N([O-])Cc1ccccc1Cl)C1(c2ccccc2)CC(=O)C1 ZINC001161808211 1382514715 /nfs/dbraw/zinc/51/47/15/1382514715.db2.gz XVSCLASZOLIOLE-UHFFFAOYSA-N -1 3 329.783 3.359 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC001161826581 1382522131 /nfs/dbraw/zinc/52/21/31/1382522131.db2.gz GKUKNFIMVIBJJR-LBPRGKRZSA-N -1 3 340.370 3.116 10 30 EGEEHM CCOC(=O)c1ccc(NC(=O)C#Cc2ccc(CC)cc2)c([O-])c1 ZINC001295837398 1382841733 /nfs/dbraw/zinc/84/17/33/1382841733.db2.gz XNCSSOPVRFZFNQ-UHFFFAOYSA-N -1 3 337.375 3.122 10 30 EGEEHM C#Cc1cccc(CNC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001299356825 1383513707 /nfs/dbraw/zinc/51/37/07/1383513707.db2.gz XYNGZQGKIHONRM-UHFFFAOYSA-N -1 3 330.181 3.066 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H](NC(=O)c1cccs1)C(C)C ZINC001306896586 1383916543 /nfs/dbraw/zinc/91/65/43/1383916543.db2.gz DFMCVFCQNJGHOP-CQSZACIVSA-N -1 3 326.462 3.301 10 30 EGEEHM COc1cnc(C(=O)N([O-])Cc2cccc3ccccc32)c(F)c1 ZINC001306901104 1383917372 /nfs/dbraw/zinc/91/73/72/1383917372.db2.gz WVLSVOPQFJCXHS-UHFFFAOYSA-N -1 3 326.327 3.414 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001703975370 1416217421 /nfs/dbraw/zinc/21/74/21/1416217421.db2.gz WRZLNSXVDCHWPJ-HOTGVXAUSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001747610815 1439999483 /nfs/dbraw/zinc/99/94/83/1439999483.db2.gz DVTUNZCZTKQKSD-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@H](CC)CC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001759364439 1441270497 /nfs/dbraw/zinc/27/04/97/1441270497.db2.gz QFIMYSXEYQXQNN-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])CC(C)C ZINC001759467855 1441290787 /nfs/dbraw/zinc/29/07/87/1441290787.db2.gz QRLGARLPJBXHMQ-HNNXBMFYSA-N -1 3 346.471 3.255 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000368094990 168310700 /nfs/dbraw/zinc/31/07/00/168310700.db2.gz VKPZYOCFURQQNI-RNODOKPDSA-N -1 3 341.455 3.247 10 30 EGEEHM COCc1nc2n(n1)CCC[C@H]2/N=C/c1c([O-])ccc2ccccc21 ZINC000155090761 224356347 /nfs/dbraw/zinc/35/63/47/224356347.db2.gz LXAXQRBAZCUBKW-MBTVCVBTSA-N -1 3 336.395 3.237 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CCC[C@@H](C)C1 ZINC000115277848 152004253 /nfs/dbraw/zinc/00/42/53/152004253.db2.gz PWXFRALHUIGOLA-CZUORRHYSA-N -1 3 343.471 3.129 10 30 EGEEHM N#Cc1cnc(C(=O)[N-]c2csc(-c3ccccn3)n2)c(Cl)c1 ZINC000345967588 164306307 /nfs/dbraw/zinc/30/63/07/164306307.db2.gz VAHQGDATOHYMST-UHFFFAOYSA-N -1 3 341.783 3.377 10 30 EGEEHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccs1 ZINC000352322207 165341027 /nfs/dbraw/zinc/34/10/27/165341027.db2.gz JDCJWIXCYBQYHB-CQSZACIVSA-N -1 3 335.454 3.080 10 30 EGEEHM CN(C)c1cccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000493368332 267294598 /nfs/dbraw/zinc/29/45/98/267294598.db2.gz WQIDZYDJESZBGF-UHFFFAOYSA-N -1 3 335.816 3.078 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccccc1 ZINC000430023195 268182701 /nfs/dbraw/zinc/18/27/01/268182701.db2.gz CTINSHKTXFYQIL-LSDHHAIUSA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1cnc([N-]c2cccc(OC[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000296548874 268312192 /nfs/dbraw/zinc/31/21/92/268312192.db2.gz OOFZJAOWGATWEE-HNNXBMFYSA-N -1 3 340.339 3.163 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@H](C)C2)c(F)c1F ZINC000600668648 460562179 /nfs/dbraw/zinc/56/21/79/460562179.db2.gz RYKPEYFPOZZVQM-BONVTDFDSA-N -1 3 328.384 3.024 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000184600824 455411349 /nfs/dbraw/zinc/41/13/49/455411349.db2.gz XPCPARAXKWXVPC-GJZGRUSLSA-N -1 3 346.839 3.294 10 30 EGEEHM COc1ccc(NC(=O)[C@H](C)Oc2ccc(/C(C)=N/[O-])cc2)cc1 ZINC000100710047 454467430 /nfs/dbraw/zinc/46/74/30/454467430.db2.gz ZOHHXJQOQLECCJ-DZUMZMOTSA-N -1 3 328.368 3.299 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cc2ccccc2o1 ZINC000103152706 454541412 /nfs/dbraw/zinc/54/14/12/454541412.db2.gz YXLLIBNAEZEFLW-LLVKDONJSA-N -1 3 344.367 3.483 10 30 EGEEHM O=C(CCCC1CCN(C(=O)c2cc3ccccc3s2)CC1)N[O-] ZINC000147357267 454864135 /nfs/dbraw/zinc/86/41/35/454864135.db2.gz IMPASUAPQFDWJF-UHFFFAOYSA-N -1 3 346.452 3.429 10 30 EGEEHM C[C@@H](C#N)CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000264256082 455196031 /nfs/dbraw/zinc/19/60/31/455196031.db2.gz YXEZWLVFMBCPDP-JTQLQIEISA-N -1 3 328.397 3.248 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1C#N ZINC000297549116 456249144 /nfs/dbraw/zinc/24/91/44/456249144.db2.gz ZIWVIFIILJTNGD-CYBMUJFWSA-N -1 3 344.396 3.135 10 30 EGEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCC1CCC(C#N)CC1)c2=O ZINC000282495781 456532182 /nfs/dbraw/zinc/53/21/82/456532182.db2.gz JJKNSTUFQIJTOW-UHFFFAOYSA-N -1 3 341.386 3.448 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2[C@H]1C ZINC000341067966 456813814 /nfs/dbraw/zinc/81/38/14/456813814.db2.gz RWSRWAFIHBEFNI-CQSZACIVSA-N -1 3 335.407 3.312 10 30 EGEEHM Cc1cc(NCc2ncccc2[O-])n2c3ccccc3nc2c1C#N ZINC000359910895 457143130 /nfs/dbraw/zinc/14/31/30/457143130.db2.gz MDEPAABRTAZOST-UHFFFAOYSA-N -1 3 329.363 3.380 10 30 EGEEHM COc1ccc(CN(C[C@H](C)C#N)C2CC2)c(Br)c1[O-] ZINC000355375268 457366511 /nfs/dbraw/zinc/36/65/11/457366511.db2.gz WVAFKBHGRIYLDE-SNVBAGLBSA-N -1 3 339.233 3.287 10 30 EGEEHM C=C[C@@H]1OCC[C@H]1NCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000411793469 457978666 /nfs/dbraw/zinc/97/86/66/457978666.db2.gz SASAHSXMGWMWMQ-NEPJUHHUSA-N -1 3 343.408 3.090 10 30 EGEEHM Cc1cccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c1[O-] ZINC000436758747 458375831 /nfs/dbraw/zinc/37/58/31/458375831.db2.gz OJCANLBLYDMPHJ-CQSZACIVSA-N -1 3 345.196 3.458 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(CC)c1-c1ccc2c(c1)OCO2 ZINC000469300822 458565398 /nfs/dbraw/zinc/56/53/98/458565398.db2.gz UTFUBOMQCLWMMO-LBPRGKRZSA-N -1 3 341.411 3.331 10 30 EGEEHM CCc1ncc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)s1 ZINC000431642913 458600464 /nfs/dbraw/zinc/60/04/64/458600464.db2.gz JKMVBKJUNAKADG-CQSZACIVSA-N -1 3 349.481 3.419 10 30 EGEEHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551500509 458888642 /nfs/dbraw/zinc/88/86/42/458888642.db2.gz RPGXETFKUMDURI-MRVPVSSYSA-N -1 3 338.654 3.345 10 30 EGEEHM CC[C@H]1CC[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000479649322 459156485 /nfs/dbraw/zinc/15/64/85/459156485.db2.gz RURTVHNEQLPUFM-SHTZXODSSA-N -1 3 329.444 3.293 10 30 EGEEHM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000578298899 459176450 /nfs/dbraw/zinc/17/64/50/459176450.db2.gz UUGYTYNOZRYTEA-CHWSQXEVSA-N -1 3 327.409 3.231 10 30 EGEEHM CCc1c(NC(=O)[N-]c2snc(C)c2C#N)cnn1CC(C)C ZINC000590966318 459285099 /nfs/dbraw/zinc/28/50/99/459285099.db2.gz KYCMVGZIHMFWIS-UHFFFAOYSA-N -1 3 332.433 3.382 10 30 EGEEHM C[C@@]1(C#N)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000595840354 459460597 /nfs/dbraw/zinc/46/05/97/459460597.db2.gz OCIJGWWABNCOPD-KRWDZBQOSA-N -1 3 340.408 3.392 10 30 EGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OC)cc1 ZINC000593526876 459915718 /nfs/dbraw/zinc/91/57/18/459915718.db2.gz ZARZZMZUUKTXMO-CYBMUJFWSA-N -1 3 336.438 3.058 10 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YYAJGBIMSSXLNM-AWEZNQCLSA-N -1 3 337.423 3.426 10 30 EGEEHM C=C(C)COCC[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645603559 462378125 /nfs/dbraw/zinc/37/81/25/462378125.db2.gz GNVFVJPJGOIAGW-UHFFFAOYSA-N -1 3 325.455 3.081 10 30 EGEEHM C=CCSc1nnc([N-]C(=O)c2cnc3ccccc3n2)s1 ZINC000007213632 519091287 /nfs/dbraw/zinc/09/12/87/519091287.db2.gz DXFMOQQCSAMJPK-UHFFFAOYSA-N -1 3 329.410 3.012 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccccc2OC2CCC2)c1[O-] ZINC000735620376 575692494 /nfs/dbraw/zinc/69/24/94/575692494.db2.gz YPZIYWUTZGXVRT-RGVLZGJSSA-N -1 3 326.396 3.138 10 30 EGEEHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000088547266 1292753421 /nfs/dbraw/zinc/75/34/21/1292753421.db2.gz HLRFQLYDINBXCO-UHFFFAOYSA-N -1 3 328.180 3.061 10 30 EGEEHM CC[C@H](N[C@H](C)c1cccc(C#N)c1[O-])c1nnc2n1CCCCC2 ZINC000866254516 1330086118 /nfs/dbraw/zinc/08/61/18/1330086118.db2.gz QEHMEDXDCAUGKZ-CJNGLKHVSA-N -1 3 339.443 3.384 10 30 EGEEHM CCCCCCN([O-])C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001184305713 1387424995 /nfs/dbraw/zinc/42/49/95/1387424995.db2.gz OACGOTMMFFMVAA-UHFFFAOYSA-N -1 3 346.427 3.332 10 30 EGEEHM O=C(Cc1ccc2c(c1)OC(F)(F)O2)N([O-])Cc1ccc(F)cc1 ZINC001184348082 1387435876 /nfs/dbraw/zinc/43/58/76/1387435876.db2.gz JIPUWZMWWNHSEZ-UHFFFAOYSA-N -1 3 339.269 3.108 10 30 EGEEHM N#CCOc1cccc(CNC(=O)c2cc([O-])c3ccccc3c2)c1 ZINC001324953160 1387846754 /nfs/dbraw/zinc/84/67/54/1387846754.db2.gz IBWJJLQICVAIGJ-UHFFFAOYSA-N -1 3 332.359 3.378 10 30 EGEEHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2cccc(Cl)c2)n1 ZINC001120934609 1371815121 /nfs/dbraw/zinc/81/51/21/1371815121.db2.gz GGVQILRYWBFDSR-UHFFFAOYSA-N -1 3 329.772 3.311 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC001121545403 1372005398 /nfs/dbraw/zinc/00/53/98/1372005398.db2.gz DCIAVJVRPGRAPM-LRDDRELGSA-N -1 3 349.394 3.263 10 30 EGEEHM N#Cc1cccc([N-]C(=O)c2ocnc2C(F)F)c1Br ZINC001130068054 1373451932 /nfs/dbraw/zinc/45/19/32/1373451932.db2.gz FKUTVPJSRCNDPE-UHFFFAOYSA-N -1 3 342.099 3.499 10 30 EGEEHM COc1cccc(NC(=O)c2ccc(Br)cc2C#N)c1[O-] ZINC001152585528 1379953742 /nfs/dbraw/zinc/95/37/42/1379953742.db2.gz BLOGUHFVLDEGRT-UHFFFAOYSA-N -1 3 347.168 3.287 10 30 EGEEHM C=CC(C)(C)C(=O)N(C)CC[C@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001286002636 1380633543 /nfs/dbraw/zinc/63/35/43/1380633543.db2.gz VDTYAQDQMYBSDV-INIZCTEOSA-N -1 3 346.471 3.207 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001286930931 1381140100 /nfs/dbraw/zinc/14/01/00/1381140100.db2.gz XPYQJPSCJOUIHH-AWEZNQCLSA-N -1 3 332.444 3.009 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001161826919 1382523009 /nfs/dbraw/zinc/52/30/09/1382523009.db2.gz PNWZNIQDDOCDSZ-HNNXBMFYSA-N -1 3 338.835 3.491 10 30 EGEEHM C#CCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CSC1 ZINC001300610446 1383673870 /nfs/dbraw/zinc/67/38/70/1383673870.db2.gz MXUXJFLGFBMRAM-UHFFFAOYSA-N -1 3 339.416 3.375 10 30 EGEEHM C=CC[S@@](=O)(=NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001304738408 1383853874 /nfs/dbraw/zinc/85/38/74/1383853874.db2.gz UZKDNGMPADQQJO-DEOSSOPVSA-N -1 3 343.404 3.448 10 30 EGEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)CCCF ZINC001351453313 1391640839 /nfs/dbraw/zinc/64/08/39/1391640839.db2.gz WGLQCJARHKDAFE-UHFFFAOYSA-N -1 3 347.419 3.242 10 30 EGEEHM C=CCC(C)(C)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001737629968 1438844354 /nfs/dbraw/zinc/84/43/54/1438844354.db2.gz GYZUCTPXBOKOTL-OAHLLOKOSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)CCC(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001759458870 1441288837 /nfs/dbraw/zinc/28/88/37/1441288837.db2.gz FDEIXMXVBYZMAC-HNNXBMFYSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001759489058 1441296503 /nfs/dbraw/zinc/29/65/03/1441296503.db2.gz WMFIJJLBMMMZJP-DOTOQJQBSA-N -1 3 344.455 3.105 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000103056349 219250876 /nfs/dbraw/zinc/25/08/76/219250876.db2.gz GPDBKKOADQWVPJ-QAPCUYQASA-N -1 3 343.471 3.127 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C#N ZINC000314705952 154156770 /nfs/dbraw/zinc/15/67/70/154156770.db2.gz MEUXIHAOCNYAME-UHFFFAOYSA-N -1 3 342.207 3.369 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(Cc2cccc(F)c2)s1 ZINC000340031501 155073999 /nfs/dbraw/zinc/07/39/99/155073999.db2.gz CYCHHEFVYVDEBR-UHFFFAOYSA-N -1 3 344.396 3.453 10 30 EGEEHM CCOc1ccccc1C(F)(F)C(=O)[N-]c1snc(C)c1C#N ZINC000298614459 270043121 /nfs/dbraw/zinc/04/31/21/270043121.db2.gz KYOCPTIWGICABI-UHFFFAOYSA-N -1 3 337.351 3.452 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000479955183 268159074 /nfs/dbraw/zinc/15/90/74/268159074.db2.gz FIBLAOGFMBVBCP-VMPITWQZSA-N -1 3 332.812 3.203 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCc3c(F)cccc32)s1 ZINC000451592327 268258082 /nfs/dbraw/zinc/25/80/82/268258082.db2.gz QRSMJTBRBZWMBL-CQSZACIVSA-N -1 3 336.413 3.115 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)c(F)c1 ZINC000546616103 314839005 /nfs/dbraw/zinc/83/90/05/314839005.db2.gz MACMAJFFOAULRI-UHFFFAOYSA-N -1 3 340.326 3.113 10 30 EGEEHM N#Cc1c(NCCNC(=O)c2ccc([O-])cc2)cccc1C(F)F ZINC000565980375 316396789 /nfs/dbraw/zinc/39/67/89/316396789.db2.gz DVVKIEQUFUQAGO-UHFFFAOYSA-N -1 3 331.322 3.043 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@H](C#N)C2CCCCC2)c(F)c1F ZINC000600668350 460561888 /nfs/dbraw/zinc/56/18/88/460561888.db2.gz OTQFDXQNRARMSQ-GFCCVEGCSA-N -1 3 328.384 3.024 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1Cl ZINC000055555094 453994664 /nfs/dbraw/zinc/99/46/64/453994664.db2.gz WVXKZLMLHQJVQR-UHFFFAOYSA-N -1 3 328.727 3.291 10 30 EGEEHM CCN(C[C@@H](C)C#N)C(=O)c1c[n-]c2c(F)c(Cl)ccc2c1=O ZINC000072289306 454285751 /nfs/dbraw/zinc/28/57/51/454285751.db2.gz LLGXLJFMSANYAK-VIFPVBQESA-N -1 3 335.766 3.355 10 30 EGEEHM CCC(=O)c1ccc(OCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073973643 454511364 /nfs/dbraw/zinc/51/13/64/454511364.db2.gz SGCJDMBUIVJKAS-UHFFFAOYSA-N -1 3 340.339 3.324 10 30 EGEEHM CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073973643 454511366 /nfs/dbraw/zinc/51/13/66/454511366.db2.gz SGCJDMBUIVJKAS-UHFFFAOYSA-N -1 3 340.339 3.324 10 30 EGEEHM CCC(=O)c1ccc(OCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073973643 454511367 /nfs/dbraw/zinc/51/13/67/454511367.db2.gz SGCJDMBUIVJKAS-UHFFFAOYSA-N -1 3 340.339 3.324 10 30 EGEEHM N#CC(=C([O-])C=Cc1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000049456764 454549176 /nfs/dbraw/zinc/54/91/76/454549176.db2.gz JLOLEJIZHVXXHI-VGMNTSGFSA-N -1 3 331.375 3.098 10 30 EGEEHM N#CC(=C([O-])C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000049456596 454549747 /nfs/dbraw/zinc/54/97/47/454549747.db2.gz INICJPTZVWOPMN-IHVVCDCBSA-N -1 3 340.766 3.396 10 30 EGEEHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@@H](OCC)C2CC2)c1 ZINC000629289156 460716093 /nfs/dbraw/zinc/71/60/93/460716093.db2.gz XJFNJUQCHBHNFV-QGZVFWFLSA-N -1 3 339.457 3.198 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000303984478 456498700 /nfs/dbraw/zinc/49/87/00/456498700.db2.gz FKWCGLACFRYFKK-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM C=CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304237446 456501709 /nfs/dbraw/zinc/50/17/09/456501709.db2.gz CIDNRCHQMLWVKR-QMMMGPOBSA-N -1 3 338.654 3.345 10 30 EGEEHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1Cl ZINC000345495906 456981384 /nfs/dbraw/zinc/98/13/84/456981384.db2.gz WJTBTRSBOSNNSY-LLVKDONJSA-N -1 3 340.770 3.418 10 30 EGEEHM N#CC(=C([O-])c1cccc(OCc2cscn2)c1)c1ccncn1 ZINC000354462299 457239069 /nfs/dbraw/zinc/23/90/69/457239069.db2.gz HJSRGHXZUZRKAE-OAHLLOKOSA-N -1 3 336.376 3.002 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccccc2SC[C@H](C)C#N)c[n-]1 ZINC000340074373 457328991 /nfs/dbraw/zinc/32/89/91/457328991.db2.gz UEKMBQAKNUTSQC-LLVKDONJSA-N -1 3 343.408 3.305 10 30 EGEEHM N#Cc1cc(F)ccc1[N-]C(=O)c1ncsc1Br ZINC000342492480 457333114 /nfs/dbraw/zinc/33/31/14/457333114.db2.gz PBNIKVHWPYHJJT-UHFFFAOYSA-N -1 3 326.150 3.169 10 30 EGEEHM Cc1c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc2nccn12 ZINC000356419990 457617038 /nfs/dbraw/zinc/61/70/38/457617038.db2.gz NWZMVPATDPTZBA-LLVKDONJSA-N -1 3 335.392 3.379 10 30 EGEEHM Cn1nnc2cc(C([O-])=C(C#N)c3nccc4ccccc43)ccc21 ZINC000361523858 457769946 /nfs/dbraw/zinc/76/99/46/457769946.db2.gz GYZDACVCWDIRBA-OAHLLOKOSA-N -1 3 327.347 3.007 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411197088 457826187 /nfs/dbraw/zinc/82/61/87/457826187.db2.gz VIGXCNLPWDLNTI-ZDUSSCGKSA-N -1 3 328.372 3.148 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)s1 ZINC000373822870 458615327 /nfs/dbraw/zinc/61/53/27/458615327.db2.gz MCMVWYXPGMBRSX-MRXNPFEDSA-N -1 3 344.417 3.281 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c[n-]1 ZINC000431758614 458617941 /nfs/dbraw/zinc/61/79/41/458617941.db2.gz ZZRMCDPHLNVPHJ-UHFFFAOYSA-N -1 3 344.370 3.453 10 30 EGEEHM CC(C)c1nc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c[nH]1 ZINC000590066724 459076421 /nfs/dbraw/zinc/07/64/21/459076421.db2.gz AZKRMSOTKYVWQT-OAHLLOKOSA-N -1 3 346.456 3.247 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCCC1 ZINC000594869078 459164336 /nfs/dbraw/zinc/16/43/36/459164336.db2.gz BIZZLGJNSZKODN-UHFFFAOYSA-N -1 3 346.374 3.458 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)CCCC1 ZINC000581280256 459270877 /nfs/dbraw/zinc/27/08/77/459270877.db2.gz RBHHLEHWKPNNJX-UHFFFAOYSA-N -1 3 347.267 3.497 10 30 EGEEHM N#Cc1cccc(C2(NCc3ccc(C(=O)[O-])cc3)CCOCC2)c1 ZINC000596656353 459716933 /nfs/dbraw/zinc/71/69/33/459716933.db2.gz JSTYXWCWVMFDEF-UHFFFAOYSA-N -1 3 336.391 3.052 10 30 EGEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1 ZINC000593526464 459915531 /nfs/dbraw/zinc/91/55/31/459915531.db2.gz DBDDWWPJUHXKIP-OAHLLOKOSA-N -1 3 338.429 3.434 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccccc2F)CCC1 ZINC000593611525 459932232 /nfs/dbraw/zinc/93/22/32/459932232.db2.gz ANQBPGOXMMFIRJ-UHFFFAOYSA-N -1 3 336.413 3.117 10 30 EGEEHM Cc1ccc([O-])c(C=NNc2ncnc3sc4c(c32)CCC4)n1 ZINC000728777687 574770611 /nfs/dbraw/zinc/77/06/11/574770611.db2.gz KOXZZPNHDNELGW-UHFFFAOYSA-N -1 3 325.397 3.035 10 30 EGEEHM CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000007053538 1291057467 /nfs/dbraw/zinc/05/74/67/1291057467.db2.gz PQGXXFSXDGHNFB-UHFFFAOYSA-N -1 3 329.425 3.205 10 30 EGEEHM C=CC[S@@](=O)(=NC([O-])=C(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000891383252 1305036146 /nfs/dbraw/zinc/03/61/46/1305036146.db2.gz XYONAZADKAJECW-NPMABZOXSA-N -1 3 337.441 3.204 10 30 EGEEHM N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCc1c([O-])cccc1F ZINC000922923317 1322650665 /nfs/dbraw/zinc/65/06/65/1322650665.db2.gz MSYTWPDKUQBREU-KRWDZBQOSA-N -1 3 339.370 3.280 10 30 EGEEHM Cc1cc(C(=O)/C=C/c2cc(C(=O)OC(C)(C)C)nn2C)ccc1[O-] ZINC000865216232 1329676435 /nfs/dbraw/zinc/67/64/35/1329676435.db2.gz AUOKZASDQGVVOR-VQHVLOKHSA-N -1 3 342.395 3.286 10 30 EGEEHM Cc1ccc(F)c([O-])c1CN1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000952995536 1334633229 /nfs/dbraw/zinc/63/32/29/1334633229.db2.gz PHYOSNGVBFOTOR-SFHVURJKSA-N -1 3 326.371 3.285 10 30 EGEEHM C#C[C@](C)(CC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001190530936 1367287445 /nfs/dbraw/zinc/28/74/45/1367287445.db2.gz HUIVWUOOWXFRGM-CYBMUJFWSA-N -1 3 328.846 3.030 10 30 EGEEHM C=CCN(C)CCN(CC)C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC001139865712 1377966312 /nfs/dbraw/zinc/96/63/12/1377966312.db2.gz OUMOZQYGOSTZDF-UHFFFAOYSA-N -1 3 340.851 3.024 10 30 EGEEHM C=CCCO[N-]C(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001149452258 1379384332 /nfs/dbraw/zinc/38/43/32/1379384332.db2.gz QAJHIXFTLNTLHB-GJZGRUSLSA-N -1 3 340.464 3.474 10 30 EGEEHM C#CC[C@H](CCOC)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001149971712 1379475589 /nfs/dbraw/zinc/47/55/89/1379475589.db2.gz GPLIYKPJINFTKM-OAHLLOKOSA-N -1 3 339.391 3.343 10 30 EGEEHM Cn1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1Cl ZINC001161783540 1382504828 /nfs/dbraw/zinc/50/48/28/1382504828.db2.gz HPTKLRCWSMYFSY-UHFFFAOYSA-N -1 3 334.590 3.412 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001295946145 1382878802 /nfs/dbraw/zinc/87/88/02/1382878802.db2.gz YFPDRDXMAUQOEY-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C#C[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCOCC1 ZINC001301133458 1383697851 /nfs/dbraw/zinc/69/78/51/1383697851.db2.gz OWBJXKKCGFTYLO-HXUWFJFHSA-N -1 3 349.430 3.141 10 30 EGEEHM CC(=O)Nc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1F ZINC001306893855 1383916301 /nfs/dbraw/zinc/91/63/01/1383916301.db2.gz AMSBEYYKWFNRNX-UHFFFAOYSA-N -1 3 336.750 3.469 10 30 EGEEHM O=C([C@H]1CNC(=O)c2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306901037 1383917593 /nfs/dbraw/zinc/91/75/93/1383917593.db2.gz VSXQBRFKTAVPIH-IBGZPJMESA-N -1 3 346.386 3.085 10 30 EGEEHM C=C(CC)C(=O)N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001347151467 1391014730 /nfs/dbraw/zinc/01/47/30/1391014730.db2.gz ORSVNIUUQITTFY-LBPRGKRZSA-N -1 3 340.345 3.152 10 30 EGEEHM C=C[C@H](C)O[N-]C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001347717970 1391114592 /nfs/dbraw/zinc/11/45/92/1391114592.db2.gz UWPYMSBIWYDJDD-ZDUSSCGKSA-N -1 3 338.448 3.036 10 30 EGEEHM C=CC(C)(C)CC(=O)NCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001493074985 1396335268 /nfs/dbraw/zinc/33/52/68/1396335268.db2.gz FUEAQKLPFJJLHC-UHFFFAOYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001704790654 1416751175 /nfs/dbraw/zinc/75/11/75/1416751175.db2.gz IPTGXUMOWLWHHY-HZPDHXFCSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001705375200 1417051516 /nfs/dbraw/zinc/05/15/16/1417051516.db2.gz RVFOXTTZKAXZTG-KRWDZBQOSA-N -1 3 344.455 3.153 10 30 EGEEHM N#CCNC[C@H](NC(=O)c1ccccc1[O-])c1ccc2ccccc2c1 ZINC001716812940 1420938787 /nfs/dbraw/zinc/93/87/87/1420938787.db2.gz VTVAKMNJDMHYBI-IBGZPJMESA-N -1 3 345.402 3.130 10 30 EGEEHM C=CCCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001747614127 1440000407 /nfs/dbraw/zinc/00/04/07/1440000407.db2.gz LOJNDRPSSDMILY-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM Cn1c(C(C#N)=C([O-])c2ccc3c(c2)COC3)nnc1-c1ccccc1 ZINC000050206740 214050487 /nfs/dbraw/zinc/05/04/87/214050487.db2.gz CKWYFMBLQVROQD-KRWDZBQOSA-N -1 3 344.374 3.002 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000316939739 154158483 /nfs/dbraw/zinc/15/84/83/154158483.db2.gz BBVRERLZWUTENS-DZGCQCFKSA-N -1 3 332.812 3.046 10 30 EGEEHM COc1ccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c([O-])c1 ZINC000355000065 166082885 /nfs/dbraw/zinc/08/28/85/166082885.db2.gz KAANPLAEXFJNBL-UHFFFAOYSA-N -1 3 326.327 3.082 10 30 EGEEHM N#Cc1cnccc1[N-]C(=O)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000355524444 166231286 /nfs/dbraw/zinc/23/12/86/166231286.db2.gz LNCSTRFLYVRNDY-UHFFFAOYSA-N -1 3 342.330 3.029 10 30 EGEEHM Cc1nc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc2s1 ZINC000427270875 268080151 /nfs/dbraw/zinc/08/01/51/268080151.db2.gz YYJJSEXGDRYUAU-UHFFFAOYSA-N -1 3 347.396 3.416 10 30 EGEEHM Cc1sc([N-]C(=O)c2cnc(OCC3CC3)cn2)c(C#N)c1C ZINC000551096685 315141699 /nfs/dbraw/zinc/14/16/99/315141699.db2.gz BROIBPJSDKSDHI-UHFFFAOYSA-N -1 3 328.397 3.068 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C#N ZINC000387503858 324272089 /nfs/dbraw/zinc/27/20/89/324272089.db2.gz UFADFBXTYRTLGL-UHFFFAOYSA-N -1 3 342.207 3.369 10 30 EGEEHM C=CCOc1ccc(Br)cc1C=C1SC(=O)[N-]C1=O ZINC000033349529 453914977 /nfs/dbraw/zinc/91/49/77/453914977.db2.gz GOFFEXNGJFTKIP-XFFZJAGNSA-N -1 3 340.198 3.338 10 30 EGEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=C2CCCCC2)cc1OC ZINC000103764309 454567925 /nfs/dbraw/zinc/56/79/25/454567925.db2.gz XQFXMXJGRBLBBY-HNNXBMFYSA-N -1 3 342.395 3.242 10 30 EGEEHM C[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccc(C#N)cc1 ZINC000127484379 454969231 /nfs/dbraw/zinc/96/92/31/454969231.db2.gz GMHXOUMLHUMTJA-LBPRGKRZSA-N -1 3 344.374 3.392 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000156765324 455149026 /nfs/dbraw/zinc/14/90/26/455149026.db2.gz WFFOZGHUHIOVJF-WFASDCNBSA-N -1 3 332.812 3.046 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000184305004 455370441 /nfs/dbraw/zinc/37/04/41/455370441.db2.gz RLMWREYYYPGQER-AWEZNQCLSA-N -1 3 330.428 3.172 10 30 EGEEHM COc1cc(C)c(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1OC ZINC000190900333 455400668 /nfs/dbraw/zinc/40/06/68/455400668.db2.gz WFTUISUGUJBDID-AWEZNQCLSA-N -1 3 347.374 3.446 10 30 EGEEHM O=c1c2ccccc2nc(-c2ccco2)n1N=Cc1ccccc1[O-] ZINC000252624696 455823355 /nfs/dbraw/zinc/82/33/55/455823355.db2.gz PSZGBZQPQQYPQD-UHFFFAOYSA-N -1 3 331.331 3.244 10 30 EGEEHM N#Cc1cc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)c[nH]1 ZINC000352443052 457371169 /nfs/dbraw/zinc/37/11/69/457371169.db2.gz CKLHNWRPXOSVTH-UHFFFAOYSA-N -1 3 346.177 3.257 10 30 EGEEHM Cc1nsc([N-]C(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000362394802 458150888 /nfs/dbraw/zinc/15/08/88/458150888.db2.gz BNVIDVYKSNNTLO-UHFFFAOYSA-N -1 3 327.394 3.094 10 30 EGEEHM CC(C)CN(c1cccc([O-])c1)S(=O)(=O)c1ccc(C#N)s1 ZINC000435476665 458154079 /nfs/dbraw/zinc/15/40/79/458154079.db2.gz IEGMFHSXSFNLOG-UHFFFAOYSA-N -1 3 336.438 3.177 10 30 EGEEHM CCOc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000429564366 458346363 /nfs/dbraw/zinc/34/63/63/458346363.db2.gz DQJPMWWMQGAZDG-AWEZNQCLSA-N -1 3 334.379 3.464 10 30 EGEEHM C=CCN(CCOC)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000459528027 458401474 /nfs/dbraw/zinc/40/14/74/458401474.db2.gz QUZNCFNREGNESP-UHFFFAOYSA-N -1 3 344.249 3.188 10 30 EGEEHM C=CCNc1ncc(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])s1 ZINC000507280970 458753848 /nfs/dbraw/zinc/75/38/48/458753848.db2.gz FDQXAEVQUYKTGI-UHFFFAOYSA-N -1 3 331.441 3.418 10 30 EGEEHM C=CCC[C@H](C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473848013 458846251 /nfs/dbraw/zinc/84/62/51/458846251.db2.gz FHPGWKONMJFFMW-DOTOQJQBSA-N -1 3 325.412 3.372 10 30 EGEEHM COc1ccccc1[C@H](NCc1ccc(C2(C#N)CC2)cc1)C(=O)[O-] ZINC000594689710 459130097 /nfs/dbraw/zinc/13/00/97/459130097.db2.gz DWTPICVNHRWWOC-SFHVURJKSA-N -1 3 336.391 3.166 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCC1 ZINC000593619756 459934507 /nfs/dbraw/zinc/93/45/07/459934507.db2.gz GHRYZBFNXIZPIK-UHFFFAOYSA-N -1 3 347.465 3.172 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)ccc1Cl ZINC000588906019 460001609 /nfs/dbraw/zinc/00/16/09/460001609.db2.gz CAYNIJCCHGLEGJ-UHFFFAOYSA-N -1 3 334.775 3.068 10 30 EGEEHM C=CC[C@@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000636944455 461336690 /nfs/dbraw/zinc/33/66/90/461336690.db2.gz RXNKFZQDACKFPI-LLVKDONJSA-N -1 3 339.233 3.262 10 30 EGEEHM COC(=O)c1cc2ccccc2c(CN(CCC#N)C(C)C)c1[O-] ZINC000739841908 574562645 /nfs/dbraw/zinc/56/26/45/574562645.db2.gz RHDJTYACRGNBTA-UHFFFAOYSA-N -1 3 326.396 3.456 10 30 EGEEHM C=CCC[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898221068 1310635444 /nfs/dbraw/zinc/63/54/44/1310635444.db2.gz JGYKFFSBUQQNSQ-HOTGVXAUSA-N -1 3 325.412 3.181 10 30 EGEEHM CCC(CC)(C[N-]S(=O)(=O)c1ccsc1C#N)C(F)(F)F ZINC000867730217 1330217172 /nfs/dbraw/zinc/21/71/72/1330217172.db2.gz QJDNFAMWOIAHHR-UHFFFAOYSA-N -1 3 340.392 3.267 10 30 EGEEHM O=C([C@@H]1CCCC12OCCO2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001184235303 1387417721 /nfs/dbraw/zinc/41/77/21/1387417721.db2.gz IXJKNLAPTMQVII-ZDUSSCGKSA-N -1 3 346.210 3.254 10 30 EGEEHM CCCCN([O-])C(=O)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001184315132 1387428626 /nfs/dbraw/zinc/42/86/26/1387428626.db2.gz QZHRJXZYQPHWMF-AWEZNQCLSA-N -1 3 328.453 3.432 10 30 EGEEHM CCCCN([O-])C(=O)c1nn(-c2cc(C)cc(F)c2)c2c1CCC2 ZINC001184315210 1387428713 /nfs/dbraw/zinc/42/87/13/1387428713.db2.gz UYGJQXSTVYQIMM-UHFFFAOYSA-N -1 3 331.391 3.440 10 30 EGEEHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccccc1 ZINC001191746996 1367576078 /nfs/dbraw/zinc/57/60/78/1367576078.db2.gz HIRHDCKVHQGZKQ-GFCCVEGCSA-N -1 3 341.219 3.041 10 30 EGEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001192466984 1367790942 /nfs/dbraw/zinc/79/09/42/1367790942.db2.gz BERXKYOGDKISJK-SMDDNHRTSA-N -1 3 345.411 3.387 10 30 EGEEHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001192466976 1367790999 /nfs/dbraw/zinc/79/09/99/1367790999.db2.gz BERXKYOGDKISJK-BXUZGUMPSA-N -1 3 345.411 3.387 10 30 EGEEHM N#Cc1cc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c(F)cc1F ZINC001132689652 1375514981 /nfs/dbraw/zinc/51/49/81/1375514981.db2.gz MLPGKGCVWAWBJO-UHFFFAOYSA-N -1 3 339.204 3.275 10 30 EGEEHM C=CCCCC(=O)Nc1ccc(I)cc1[O-] ZINC001154104786 1380210035 /nfs/dbraw/zinc/21/00/35/1380210035.db2.gz VYTUHGWLUIWDSJ-UHFFFAOYSA-N -1 3 331.153 3.292 10 30 EGEEHM C=CCC1(C(=O)N[C@H](C)CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001285653289 1380453033 /nfs/dbraw/zinc/45/30/33/1380453033.db2.gz DGMDWJBLXNGPST-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc2c1O[C@@H](C)C2 ZINC001306900349 1383917612 /nfs/dbraw/zinc/91/76/12/1383917612.db2.gz MDBDRYDUFMQKPZ-NSHDSACASA-N -1 3 331.343 3.189 10 30 EGEEHM C#CCN1CCC(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC001178209097 1386160331 /nfs/dbraw/zinc/16/03/31/1386160331.db2.gz XEAQJJBQMZWDLX-UHFFFAOYSA-N -1 3 342.826 3.026 10 30 EGEEHM C=C(C)CO[N-]C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001347205642 1391027579 /nfs/dbraw/zinc/02/75/79/1391027579.db2.gz LHLCGAKNFDAFRZ-UHFFFAOYSA-N -1 3 338.448 3.038 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001688112944 1396728601 /nfs/dbraw/zinc/72/86/01/1396728601.db2.gz DWMGXWKKHCITDY-WSNMIEGMSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001719350362 1422335223 /nfs/dbraw/zinc/33/52/23/1422335223.db2.gz FDTMDYVIBBMSSP-USXIJHARSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001719471593 1422385122 /nfs/dbraw/zinc/38/51/22/1422385122.db2.gz LPZUWPKNLDDBKU-MDOVXXIYSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001737300524 1438754535 /nfs/dbraw/zinc/75/45/35/1438754535.db2.gz VZMNVHZIVYVUEE-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443503524 268160094 /nfs/dbraw/zinc/16/00/94/268160094.db2.gz VBGATJGYEQKLPI-VIFPVBQESA-N -1 3 334.775 3.068 10 30 EGEEHM CC(C)n1cc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)nn1 ZINC000560613569 315712805 /nfs/dbraw/zinc/71/28/05/315712805.db2.gz ZCXKRLCICQJZFY-JTQLQIEISA-N -1 3 329.429 3.169 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000067951207 453983470 /nfs/dbraw/zinc/98/34/70/453983470.db2.gz ZOJXGZHFQNNDJH-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM O=C(Nc1ccccc1[O-])C1CCN(CC#Cc2ccccc2)CC1 ZINC000192080676 455554847 /nfs/dbraw/zinc/55/48/47/455554847.db2.gz NNZNIXVHQAXMBI-UHFFFAOYSA-N -1 3 334.419 3.094 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@H](C)C[C@@H]3C)n1 ZINC000297887300 456317292 /nfs/dbraw/zinc/31/72/92/456317292.db2.gz QBNYJWIFTYUBMT-ZJUUUORDSA-N -1 3 329.429 3.169 10 30 EGEEHM CCOc1cc(CN(C)C[C@@H](C)C#N)cc(Br)c1[O-] ZINC000297898461 456319289 /nfs/dbraw/zinc/31/92/89/456319289.db2.gz RJYPVVGGRVLJFR-JTQLQIEISA-N -1 3 327.222 3.145 10 30 EGEEHM CCOc1cc(CN(C)C[C@H](C)C#N)cc(Br)c1[O-] ZINC000297898466 456320171 /nfs/dbraw/zinc/32/01/71/456320171.db2.gz RJYPVVGGRVLJFR-SNVBAGLBSA-N -1 3 327.222 3.145 10 30 EGEEHM N#Cc1ccc(Oc2ccc(C(=O)Nc3ncccc3[O-])cc2)nc1 ZINC000348791942 456858995 /nfs/dbraw/zinc/85/89/95/456858995.db2.gz AEALBVAHKVRFDR-UHFFFAOYSA-N -1 3 332.319 3.098 10 30 EGEEHM CC(C)[C@@H]1C[C@@H](CNC(=O)CN2CC(=O)[N-]C2=O)c2ccccc21 ZINC000329862416 456952789 /nfs/dbraw/zinc/95/27/89/456952789.db2.gz RBHJJKMNPSTSJA-WFASDCNBSA-N -1 3 329.400 3.262 10 30 EGEEHM C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436540219 458327490 /nfs/dbraw/zinc/32/74/90/458327490.db2.gz OPRHXUMHMICIQO-UHFFFAOYSA-N -1 3 329.318 3.296 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000443063343 459081057 /nfs/dbraw/zinc/08/10/57/459081057.db2.gz DFMOGCQLLSKFQM-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCCC1 ZINC000594869942 459164267 /nfs/dbraw/zinc/16/42/67/459164267.db2.gz VOYKLCLNCQIENA-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c([O-])c1 ZINC000598245783 460220165 /nfs/dbraw/zinc/22/01/65/460220165.db2.gz IWUQGWGDGVFRRJ-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)CCCC1 ZINC000599502874 460263046 /nfs/dbraw/zinc/26/30/46/460263046.db2.gz KFRJOSOOCXTENG-UHFFFAOYSA-N -1 3 338.395 3.112 10 30 EGEEHM Cc1sc([N-]C(=O)c2csc(-c3ncccn3)n2)c(C#N)c1C ZINC000603947292 460363491 /nfs/dbraw/zinc/36/34/91/460363491.db2.gz PYKLJSHNPHEUGB-UHFFFAOYSA-N -1 3 341.421 3.402 10 30 EGEEHM CC(=O)NCc1ccc(C([O-])=C(C#N)c2ccc3ccccc3n2)s1 ZINC000620847271 460807535 /nfs/dbraw/zinc/80/75/35/460807535.db2.gz CKAKEBDGJHANPS-OAHLLOKOSA-N -1 3 349.415 3.422 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)c(C(F)(F)F)c1 ZINC000601501986 460821136 /nfs/dbraw/zinc/82/11/36/460821136.db2.gz RCRYFBGQLWFYCY-BXUZGUMPSA-N -1 3 344.358 3.188 10 30 EGEEHM Cc1ncc(CO)c(/C=N\Cc2ccc(C(F)(F)F)s2)c1[O-] ZINC000871597038 1296447120 /nfs/dbraw/zinc/44/71/20/1296447120.db2.gz JZOMDCWAICLGDO-FXBPXSCXSA-N -1 3 330.331 3.287 10 30 EGEEHM C=C(Cl)C[C@@H](NCc1ccc(Br)cc1OC)C(=O)[O-] ZINC000864518282 1329621694 /nfs/dbraw/zinc/62/16/94/1329621694.db2.gz FUNOMILKLBUGCX-LLVKDONJSA-N -1 3 348.624 3.143 10 30 EGEEHM C=CCNC(=O)Nc1ccc(NC(=O)c2c(C)cccc2[O-])cc1 ZINC001136097684 1377343116 /nfs/dbraw/zinc/34/31/16/1377343116.db2.gz QRVDUAGLZLDILQ-UHFFFAOYSA-N -1 3 325.368 3.260 10 30 EGEEHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001136934720 1377443126 /nfs/dbraw/zinc/44/31/26/1377443126.db2.gz QTDBMAXFBNPOBG-XTZNXHDOSA-N -1 3 345.349 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001284182429 1379573106 /nfs/dbraw/zinc/57/31/06/1379573106.db2.gz SXKBQYXMVRYMKS-FHERZECASA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCC[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001154797560 1380353775 /nfs/dbraw/zinc/35/37/75/1380353775.db2.gz YAMLGUXMAIPMIY-QGZVFWFLSA-N -1 3 337.423 3.426 10 30 EGEEHM O=C(c1ccnc(-c2ccccn2)n1)N([O-])Cc1ccccc1Cl ZINC001161807279 1382513096 /nfs/dbraw/zinc/51/30/96/1382513096.db2.gz GWDHMQUEMKNGEP-UHFFFAOYSA-N -1 3 340.770 3.224 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O ZINC001161826618 1382521862 /nfs/dbraw/zinc/52/18/62/1382521862.db2.gz HSPUTYVVBIIGJD-QGZVFWFLSA-N -1 3 332.444 3.465 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-]Cc1nc2ccc(Br)cc2o1 ZINC001163805090 1383123771 /nfs/dbraw/zinc/12/37/71/1383123771.db2.gz BVCMFLBFWOYPET-UHFFFAOYSA-N -1 3 345.143 3.418 10 30 EGEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001309579106 1384187582 /nfs/dbraw/zinc/18/75/82/1384187582.db2.gz AWKQCLXOZCCAER-CQSZACIVSA-N -1 3 336.844 3.201 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338364200 1389654395 /nfs/dbraw/zinc/65/43/95/1389654395.db2.gz UGBILONYIXBNJP-GJZGRUSLSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)CN(C)c1nnc(-c2sc3ncccc3c2[O-])n1CC ZINC001340356610 1390276613 /nfs/dbraw/zinc/27/66/13/1390276613.db2.gz GDZKJCINIAHPHZ-UHFFFAOYSA-N -1 3 329.429 3.293 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001342542929 1390624541 /nfs/dbraw/zinc/62/45/41/1390624541.db2.gz QTFBNMNQFKJXBO-VXGBXAGGSA-N -1 3 347.854 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@H]2CCC[C@H]21 ZINC001342542929 1390624543 /nfs/dbraw/zinc/62/45/43/1390624543.db2.gz QTFBNMNQFKJXBO-VXGBXAGGSA-N -1 3 347.854 3.062 10 30 EGEEHM CCn1ccnc1C(C#N)=C([O-])C1=Cc2ccccc2O[C@H]1C(F)F ZINC001346097230 1390907392 /nfs/dbraw/zinc/90/73/92/1390907392.db2.gz ZQVKOWNKUSRYJX-XJKSGUPXSA-N -1 3 343.333 3.189 10 30 EGEEHM C#CCCC[C@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001346569422 1390955428 /nfs/dbraw/zinc/95/54/28/1390955428.db2.gz GNZOMQGCEOELAO-NSHDSACASA-N -1 3 343.832 3.060 10 30 EGEEHM C=C[C@@H](C)[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001701149021 1414812735 /nfs/dbraw/zinc/81/27/35/1414812735.db2.gz APONZYWNZJJLEK-CABCVRRESA-N -1 3 346.471 3.065 10 30 EGEEHM C=CCC1(C(=O)N(CC)CCNC(=O)c2ccccc2[O-])CCCC1 ZINC001737788597 1438891225 /nfs/dbraw/zinc/89/12/25/1438891225.db2.gz GLZPBDHEUWHRGE-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CCC1(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001738340580 1439105868 /nfs/dbraw/zinc/10/58/68/1439105868.db2.gz DFGQNICOXVGWAK-MRXNPFEDSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001739738354 1439392681 /nfs/dbraw/zinc/39/26/81/1439392681.db2.gz DNWADDKNVJWDBR-HZPDHXFCSA-N -1 3 344.455 3.152 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(Br)co1)CCCC2 ZINC000410654000 268024700 /nfs/dbraw/zinc/02/47/00/268024700.db2.gz CBCNWOXNDIXVLH-UHFFFAOYSA-N -1 3 346.184 3.440 10 30 EGEEHM N#Cc1cnc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c(Cl)c1 ZINC000439254832 268309359 /nfs/dbraw/zinc/30/93/59/268309359.db2.gz GENDJZSRWDRZIZ-UHFFFAOYSA-N -1 3 337.770 3.004 10 30 EGEEHM N#Cc1cnc([N-]c2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000296548878 268312152 /nfs/dbraw/zinc/31/21/52/268312152.db2.gz OOFZJAOWGATWEE-OAHLLOKOSA-N -1 3 340.339 3.163 10 30 EGEEHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccccn1 ZINC000101495448 454471065 /nfs/dbraw/zinc/47/10/65/454471065.db2.gz JXSMKRHQJPCNJI-GFCCVEGCSA-N -1 3 334.162 3.350 10 30 EGEEHM O=S(=O)(c1ccc(N=Cc2ccccc2[O-])cc1)N1CCCCC1 ZINC000252461260 455805488 /nfs/dbraw/zinc/80/54/88/455805488.db2.gz LQQQAWAOPATSTM-UHFFFAOYSA-N -1 3 344.436 3.317 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294412222 455815156 /nfs/dbraw/zinc/81/51/56/455815156.db2.gz DZWAJURGUAHMLI-KGLIPLIRSA-N -1 3 330.325 3.038 10 30 EGEEHM C=CCOc1ccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000340671185 456612395 /nfs/dbraw/zinc/61/23/95/456612395.db2.gz KWNNXFGACPFMEL-FQEVSTJZSA-N -1 3 341.382 3.406 10 30 EGEEHM CCOc1cc(CN[C@H](CC)CC#N)cc(Br)c1[O-] ZINC000291449957 456646253 /nfs/dbraw/zinc/64/62/53/456646253.db2.gz LRYFHZUWLLYSLM-LLVKDONJSA-N -1 3 327.222 3.335 10 30 EGEEHM C=C[C@@](C)(O)CC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000353712945 456868089 /nfs/dbraw/zinc/86/80/89/456868089.db2.gz RMEZXHBVPSXDHT-OAHLLOKOSA-N -1 3 340.210 3.071 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c1 ZINC000356596689 457074315 /nfs/dbraw/zinc/07/43/15/457074315.db2.gz QMYHFBUTELRKHN-INIZCTEOSA-N -1 3 347.827 3.036 10 30 EGEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356728555 457138117 /nfs/dbraw/zinc/13/81/17/457138117.db2.gz NGHPQVRJUOHCME-MRXNPFEDSA-N -1 3 338.791 3.246 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000354702946 457312573 /nfs/dbraw/zinc/31/25/73/457312573.db2.gz GQMWZLAXFGLWAF-JMSVASOKSA-N -1 3 329.444 3.101 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c[n-]1 ZINC000340074374 457329015 /nfs/dbraw/zinc/32/90/15/457329015.db2.gz UEKMBQAKNUTSQC-NSHDSACASA-N -1 3 343.408 3.305 10 30 EGEEHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000443562253 457780214 /nfs/dbraw/zinc/78/02/14/457780214.db2.gz URVZEGLYASJJNZ-AWEZNQCLSA-N -1 3 333.306 3.458 10 30 EGEEHM C=C(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000435590057 458167745 /nfs/dbraw/zinc/16/77/45/458167745.db2.gz UNOGOXVPUKHZPE-NHYWBVRUSA-N -1 3 347.839 3.047 10 30 EGEEHM Cc1cc(NC([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)no1 ZINC000505463193 458744130 /nfs/dbraw/zinc/74/41/30/458744130.db2.gz YUYILTYQNXYNEE-CYBMUJFWSA-N -1 3 338.392 3.083 10 30 EGEEHM N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc2c1CCCC2 ZINC000532144187 459036872 /nfs/dbraw/zinc/03/68/72/459036872.db2.gz FCVOFPXNXWTQNL-UHFFFAOYSA-N -1 3 328.353 3.054 10 30 EGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)n1 ZINC000443063346 459081752 /nfs/dbraw/zinc/08/17/52/459081752.db2.gz DFMOGCQLLSKFQM-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443120924 459090320 /nfs/dbraw/zinc/09/03/20/459090320.db2.gz BMPWAVMXANXJEY-ZDUSSCGKSA-N -1 3 332.400 3.088 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc2c(n1)CCCC2 ZINC000533545791 459251653 /nfs/dbraw/zinc/25/16/53/459251653.db2.gz CPPJVMGMLLGJKR-CQSZACIVSA-N -1 3 330.391 3.337 10 30 EGEEHM C=CCOCCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000618526473 460041270 /nfs/dbraw/zinc/04/12/70/460041270.db2.gz PKFCCDWJQSBSDN-UHFFFAOYSA-N -1 3 325.821 3.114 10 30 EGEEHM C=CCn1c(S[C@H](CC(C)C)C(=O)OC(C)(C)C)n[n-]c1=O ZINC000600530895 460514184 /nfs/dbraw/zinc/51/41/84/460514184.db2.gz SXKKRFXJBLIPIP-LLVKDONJSA-N -1 3 327.450 3.018 10 30 EGEEHM C=CCN1CCC(NC(=O)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000171619264 526447612 /nfs/dbraw/zinc/44/76/12/526447612.db2.gz IZZWNYIWTDUTIA-UHFFFAOYSA-N -1 3 329.227 3.079 10 30 EGEEHM Cc1ccc([O-])c(C=NNC(=S)Nc2ccc(OC(C)C)cc2)n1 ZINC000728781329 574770736 /nfs/dbraw/zinc/77/07/36/574770736.db2.gz REWZDRMCOJLIBA-UHFFFAOYSA-N -1 3 344.440 3.203 10 30 EGEEHM N#C[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCN1C1CC1 ZINC000732665970 575281684 /nfs/dbraw/zinc/28/16/84/575281684.db2.gz CBHOSXSOMSGOKF-MRXNPFEDSA-N -1 3 347.418 3.464 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)CCCC1 ZINC000882401547 1301949614 /nfs/dbraw/zinc/94/96/14/1301949614.db2.gz ZCNIBKVMRAHOOL-OAQYLSRUSA-N -1 3 348.534 3.140 10 30 EGEEHM CCN1c2ccccc2C(=N[N-]c2ncccc2C(F)(F)F)C1=O ZINC000915050478 1319414717 /nfs/dbraw/zinc/41/47/17/1319414717.db2.gz RSIXPVRURNMFRM-UHFFFAOYSA-N -1 3 334.301 3.283 10 30 EGEEHM Cc1ncc(CO)c(/C=N\[C@H]2C[C@H](Sc3ccccc3)C2)c1[O-] ZINC000864346704 1329608783 /nfs/dbraw/zinc/60/87/83/1329608783.db2.gz CVGFQMUTJUIXIM-PGOQHEIASA-N -1 3 328.437 3.330 10 30 EGEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001193386047 1368017621 /nfs/dbraw/zinc/01/76/21/1368017621.db2.gz LBBLTBPMMFLUKO-UHFFFAOYSA-N -1 3 347.278 3.115 10 30 EGEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001122478462 1372254989 /nfs/dbraw/zinc/25/49/89/1372254989.db2.gz GCNFKTKJBJNREH-UONOGXRCSA-N -1 3 342.447 3.032 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1cccc(F)n1 ZINC001123108170 1372381914 /nfs/dbraw/zinc/38/19/14/1372381914.db2.gz FBAZHQHBDOBKDD-LBPRGKRZSA-N -1 3 343.358 3.047 10 30 EGEEHM C#Cc1cncc(C(=O)Nc2c(C)c(Br)ccc2[O-])c1 ZINC001141437510 1378325352 /nfs/dbraw/zinc/32/53/52/1378325352.db2.gz TWZCINGPCWYFLE-UHFFFAOYSA-N -1 3 331.169 3.092 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001161819027 1382519772 /nfs/dbraw/zinc/51/97/72/1382519772.db2.gz LPBLCOZHALHTHO-MRXNPFEDSA-N -1 3 332.444 3.454 10 30 EGEEHM COC(=O)c1cccc(CC(=O)N([O-])CCCCc2ccccc2)c1 ZINC001161819244 1382519959 /nfs/dbraw/zinc/51/99/59/1382519959.db2.gz PXUKFOZHJASFSY-UHFFFAOYSA-N -1 3 341.407 3.256 10 30 EGEEHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001300211683 1383653204 /nfs/dbraw/zinc/65/32/04/1383653204.db2.gz ZPNYEYIRMMSJMO-SOUVJXGZSA-N -1 3 340.464 3.472 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001306896873 1383916889 /nfs/dbraw/zinc/91/68/89/1383916889.db2.gz PTCFRUWBOXPQNR-GFCCVEGCSA-N -1 3 340.370 3.116 10 30 EGEEHM CCCCN([O-])C(=O)[C@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001306897604 1383917164 /nfs/dbraw/zinc/91/71/64/1383917164.db2.gz UUIAYDBOXWTHNM-CXAGYDPISA-N -1 3 328.453 3.478 10 30 EGEEHM CC(=O)N[C@@H](CCC(C)C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306901261 1383917702 /nfs/dbraw/zinc/91/77/02/1383917702.db2.gz YRRLVKZBUKTWNC-IBGZPJMESA-N -1 3 342.439 3.499 10 30 EGEEHM C=CCc1cc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc(OC)c1OC ZINC001306948659 1383925085 /nfs/dbraw/zinc/92/50/85/1383925085.db2.gz YDVDRBMKWASBCB-UHFFFAOYSA-N -1 3 345.355 3.053 10 30 EGEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC001309579105 1384187649 /nfs/dbraw/zinc/18/76/49/1384187649.db2.gz AWKQCLXOZCCAER-AWEZNQCLSA-N -1 3 336.844 3.201 10 30 EGEEHM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001179954093 1386647148 /nfs/dbraw/zinc/64/71/48/1386647148.db2.gz DNMMCKGEOITPGA-ZDUSSCGKSA-N -1 3 327.384 3.308 10 30 EGEEHM C=C[C@@H](CC)CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001179954093 1386647153 /nfs/dbraw/zinc/64/71/53/1386647153.db2.gz DNMMCKGEOITPGA-ZDUSSCGKSA-N -1 3 327.384 3.308 10 30 EGEEHM Cc1cccc2c1CCC[C@H]2/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001330080242 1389303157 /nfs/dbraw/zinc/30/31/57/1389303157.db2.gz WCDLDYACMRQSSU-MRXNPFEDSA-N -1 3 326.421 3.111 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338364202 1389654473 /nfs/dbraw/zinc/65/44/73/1389654473.db2.gz UGBILONYIXBNJP-LSDHHAIUSA-N -1 3 344.455 3.009 10 30 EGEEHM O=C(c1ncoc1[C@@H]1CCCO1)N([O-])CCCCc1ccccc1 ZINC001334073588 1390472188 /nfs/dbraw/zinc/47/21/88/1390472188.db2.gz XXXNQKCQLMFTOF-HNNXBMFYSA-N -1 3 330.384 3.380 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccc(F)nc1 ZINC001345089919 1390836402 /nfs/dbraw/zinc/83/64/02/1390836402.db2.gz PBEDITBQMGYUIQ-LBPRGKRZSA-N -1 3 343.358 3.047 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001689114476 1396922639 /nfs/dbraw/zinc/92/26/39/1396922639.db2.gz VTLVFLXVAHFGAK-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001701074531 1414729431 /nfs/dbraw/zinc/72/94/31/1414729431.db2.gz ZRIAVKHCLUIPKG-OAHLLOKOSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001701160464 1414830733 /nfs/dbraw/zinc/83/07/33/1414830733.db2.gz LQTVDERKVVPAFV-FQEVSTJZSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CCCCC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001701768400 1415241203 /nfs/dbraw/zinc/24/12/03/1415241203.db2.gz BQFDXCWCWBXOIZ-PXNSSMCTSA-N -1 3 342.439 3.002 10 30 EGEEHM C=CCCCC(=O)N1CC[C@@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001701768402 1415241331 /nfs/dbraw/zinc/24/13/31/1415241331.db2.gz BQFDXCWCWBXOIZ-XLIONFOSSA-N -1 3 342.439 3.002 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001704605440 1416615160 /nfs/dbraw/zinc/61/51/60/1416615160.db2.gz GHYRNXWFQCJTPP-HZPDHXFCSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C1CC(C)(C(=O)NC[C@H](CCCC)NC(=O)c2ccccc2[O-])C1 ZINC001734847017 1438302607 /nfs/dbraw/zinc/30/26/07/1438302607.db2.gz BGUYSNIKKHCJSX-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746966438 1439971469 /nfs/dbraw/zinc/97/14/69/1439971469.db2.gz WOGDPKVOHJXIEO-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(CC[C@H](C)C2)C1 ZINC000368094989 168309660 /nfs/dbraw/zinc/30/96/60/168309660.db2.gz VKPZYOCFURQQNI-RBZFPXEDSA-N -1 3 341.455 3.247 10 30 EGEEHM N/C(=N\[O-])c1ccccc1OCc1ccc(F)cc1Br ZINC000019429708 212027571 /nfs/dbraw/zinc/02/75/71/212027571.db2.gz BBHLPJBZPFIETI-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000317217599 154158405 /nfs/dbraw/zinc/15/84/05/154158405.db2.gz BLRIPMAULPCDTJ-UHFFFAOYSA-N -1 3 346.717 3.430 10 30 EGEEHM Cc1ccc(C#N)cc1S(=O)(=O)N(CC(C)C)c1cccc([O-])c1 ZINC000438764192 270051683 /nfs/dbraw/zinc/05/16/83/270051683.db2.gz JTBAHUUGIXNXCZ-UHFFFAOYSA-N -1 3 344.436 3.424 10 30 EGEEHM O=C(COCc1ccccc1Cl)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053528178 453884179 /nfs/dbraw/zinc/88/41/79/453884179.db2.gz WAINNFOJJWLNKS-UHFFFAOYSA-N -1 3 343.774 3.325 10 30 EGEEHM O=C(COCc1ccccc1Cl)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053528178 453884181 /nfs/dbraw/zinc/88/41/81/453884181.db2.gz WAINNFOJJWLNKS-UHFFFAOYSA-N -1 3 343.774 3.325 10 30 EGEEHM O=C(COCc1ccccc1Cl)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053528178 453884184 /nfs/dbraw/zinc/88/41/84/453884184.db2.gz WAINNFOJJWLNKS-UHFFFAOYSA-N -1 3 343.774 3.325 10 30 EGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000067951208 453983951 /nfs/dbraw/zinc/98/39/51/453983951.db2.gz ZOJXGZHFQNNDJH-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM COc1ccccc1-c1nc(NC(=O)C=Cc2nccs2)n[n-]1 ZINC000064490086 454487176 /nfs/dbraw/zinc/48/71/76/454487176.db2.gz MFBMSCGQGQHJOE-VOTSOKGWSA-N -1 3 327.369 3.238 10 30 EGEEHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000182210659 455461451 /nfs/dbraw/zinc/46/14/51/455461451.db2.gz PFYMVRFXBVRWEM-UHFFFAOYSA-N -1 3 336.391 3.459 10 30 EGEEHM Cc1ncc([N+](=O)[O-])cc1C(=O)[N-]c1sc2c(c1C#N)CCCC2 ZINC000195524458 455979539 /nfs/dbraw/zinc/97/95/39/455979539.db2.gz ARNPTZBUILJLQJ-UHFFFAOYSA-N -1 3 342.380 3.363 10 30 EGEEHM CCOc1cc(CN(C)[C@@H](C)CC#N)cc(Br)c1[O-] ZINC000297863433 456313400 /nfs/dbraw/zinc/31/34/00/456313400.db2.gz PIAURCLTFCDNJG-JTQLQIEISA-N -1 3 327.222 3.287 10 30 EGEEHM C=C(C)[C@H](NC(=O)NCc1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000349945699 457118129 /nfs/dbraw/zinc/11/81/29/457118129.db2.gz OETMCCIGSXYLDC-INIZCTEOSA-N -1 3 333.338 3.182 10 30 EGEEHM COc1cc(C(=O)NCCN2CCCC(C)(C)C2)cc(Cl)c1[O-] ZINC000331288527 457160037 /nfs/dbraw/zinc/16/00/37/457160037.db2.gz ILUHCZIGHHGYKH-UHFFFAOYSA-N -1 3 340.851 3.481 10 30 EGEEHM Cc1cc(C#N)nc(Sc2n[n-]c(-c3ccc4c(c3)CCC4)n2)n1 ZINC000342265101 457198953 /nfs/dbraw/zinc/19/89/53/457198953.db2.gz KMDQMFSMJRHZCV-UHFFFAOYSA-N -1 3 334.408 3.082 10 30 EGEEHM CC[C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000356973018 457251073 /nfs/dbraw/zinc/25/10/73/457251073.db2.gz FQLBIXUUZBYMQL-ZCFIWIBFSA-N -1 3 331.203 3.048 10 30 EGEEHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1)OCC ZINC000363441857 457330445 /nfs/dbraw/zinc/33/04/45/457330445.db2.gz KIDVQTMNULFYER-INIZCTEOSA-N -1 3 341.411 3.055 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000429913041 458382199 /nfs/dbraw/zinc/38/21/99/458382199.db2.gz CRMKNGREAGUMLU-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM Cc1nsc([N-]C(=O)c2sccc2Br)c1C#N ZINC000439295291 458686668 /nfs/dbraw/zinc/68/66/68/458686668.db2.gz MQIDPMQXUFXDPN-UHFFFAOYSA-N -1 3 328.216 3.400 10 30 EGEEHM COc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)cc1C#N ZINC000514925622 458803690 /nfs/dbraw/zinc/80/36/90/458803690.db2.gz LKVAETBWWKWPEX-UHFFFAOYSA-N -1 3 327.409 3.373 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCC(F)(F)CC1 ZINC000594489330 459057658 /nfs/dbraw/zinc/05/76/58/459057658.db2.gz ZDLUDPKFZDIGQQ-JTQLQIEISA-N -1 3 346.374 3.190 10 30 EGEEHM Cc1cc(C(C#N)=C([O-])c2cccc([C@@H]3CCCOC3)c2)nc(C)n1 ZINC000535755061 459357577 /nfs/dbraw/zinc/35/75/77/459357577.db2.gz FDTXWEBMXDHUCD-MSOLQXFVSA-N -1 3 335.407 3.478 10 30 EGEEHM Cc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000539845602 459378312 /nfs/dbraw/zinc/37/83/12/459378312.db2.gz CFKAOGFPNWEBAR-AWEZNQCLSA-N -1 3 345.196 3.458 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(F)CC2)c1 ZINC000592104842 459525495 /nfs/dbraw/zinc/52/54/95/459525495.db2.gz XPBBBRRFOAIJIW-UHFFFAOYSA-N -1 3 330.812 3.018 10 30 EGEEHM COc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cc1 ZINC000593532142 459917321 /nfs/dbraw/zinc/91/73/21/459917321.db2.gz XNQVIQSMTAYDRP-INIZCTEOSA-N -1 3 348.449 3.058 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)OC ZINC000599359995 460238440 /nfs/dbraw/zinc/23/84/40/460238440.db2.gz INPOQXCFXSDDSO-UHFFFAOYSA-N -1 3 345.848 3.007 10 30 EGEEHM CCOC(=O)c1sc([N-]C(=O)c2nc(C)sc2C)c(C#N)c1C ZINC000611071256 460285926 /nfs/dbraw/zinc/28/59/26/460285926.db2.gz UVWIHORZMHSPSL-UHFFFAOYSA-N -1 3 349.437 3.431 10 30 EGEEHM C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645746806 462412493 /nfs/dbraw/zinc/41/24/93/462412493.db2.gz SFGHOELXJCNBGF-KGLIPLIRSA-N -1 3 337.466 3.222 10 30 EGEEHM Cc1ncc(CO)c(C=Nc2ccc(OCc3cccnc3)cc2)c1[O-] ZINC000728437789 574749379 /nfs/dbraw/zinc/74/93/79/574749379.db2.gz IJOUKHHUPNTSCE-UHFFFAOYSA-N -1 3 349.390 3.313 10 30 EGEEHM Cc1ccc([O-])c(C=NN2C(=S)N=NC2c2ccccc2Cl)n1 ZINC000728780242 574770617 /nfs/dbraw/zinc/77/06/17/574770617.db2.gz YZALKYLMZIZAJS-UHFFFAOYSA-N -1 3 345.815 3.178 10 30 EGEEHM CC[C@H](C#N)Oc1cccc(CNC(=O)c2cccc(OC)c2[O-])c1 ZINC000733773580 575392089 /nfs/dbraw/zinc/39/20/89/575392089.db2.gz AHDNKLHKFHMWEM-CQSZACIVSA-N -1 3 340.379 3.012 10 30 EGEEHM [O-]c1ccc(Cl)cc1/C=N\Cc1ccc(CN2CCOCC2)cc1 ZINC000743340906 576805977 /nfs/dbraw/zinc/80/59/77/576805977.db2.gz ODJBINMOITYHQR-BKUYFWCQSA-N -1 3 344.842 3.497 10 30 EGEEHM C=CCC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000866627489 1330135264 /nfs/dbraw/zinc/13/52/64/1330135264.db2.gz BJNFPKBEKXEUEU-MRXNPFEDSA-N -1 3 325.412 3.052 10 30 EGEEHM CCCCCCN([O-])C(=O)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001184315256 1387428690 /nfs/dbraw/zinc/42/86/90/1387428690.db2.gz WORKIBVAHMVFTI-UHFFFAOYSA-N -1 3 331.416 3.086 10 30 EGEEHM CN(C)[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001184347797 1387435862 /nfs/dbraw/zinc/43/58/62/1387435862.db2.gz DYRWGERJHVPFQV-MRXNPFEDSA-N -1 3 336.794 3.500 10 30 EGEEHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001192466978 1367790956 /nfs/dbraw/zinc/79/09/56/1367790956.db2.gz BERXKYOGDKISJK-FZMZJTMJSA-N -1 3 345.411 3.387 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC001213217667 1372862430 /nfs/dbraw/zinc/86/24/30/1372862430.db2.gz AFTNTQNDHVRZLW-UHFFFAOYSA-N -1 3 332.809 3.129 10 30 EGEEHM C#C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H]1CCCO1 ZINC001138445658 1377725317 /nfs/dbraw/zinc/72/53/17/1377725317.db2.gz CWTSUWCCWFXCCV-CTNGQTDRSA-N -1 3 349.430 3.088 10 30 EGEEHM C#Cc1cccc(N(C)C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001144135991 1378686655 /nfs/dbraw/zinc/68/66/55/1378686655.db2.gz WADNGIWSDQEXAE-UHFFFAOYSA-N -1 3 338.313 3.064 10 30 EGEEHM CCCCN([O-])C(=O)c1ccn(-c2ccc(Br)cc2)n1 ZINC001161832011 1382523727 /nfs/dbraw/zinc/52/37/27/1382523727.db2.gz ITJRWNQDKGITJZ-UHFFFAOYSA-N -1 3 338.205 3.266 10 30 EGEEHM C=CCC1(C(=O)NC[C@H](C)CNC(=O)c2ccccc2[O-])CCCC1 ZINC001297719301 1383224058 /nfs/dbraw/zinc/22/40/58/1383224058.db2.gz DDJLYNVQETWTEV-OAHLLOKOSA-N -1 3 344.455 3.011 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001306896977 1383916478 /nfs/dbraw/zinc/91/64/78/1383916478.db2.gz UCJYYPGHFXZWDE-MRXNPFEDSA-N -1 3 342.443 3.306 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)OC(C)(C)C ZINC001306897607 1383916603 /nfs/dbraw/zinc/91/66/03/1383916603.db2.gz UUIAYDBOXWTHNM-SUMWQHHRSA-N -1 3 328.453 3.478 10 30 EGEEHM O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N([O-])Cc1ccc(F)cc1 ZINC001306898632 1383916609 /nfs/dbraw/zinc/91/66/09/1383916609.db2.gz LNCPRBPFVSTAPA-UHFFFAOYSA-N -1 3 343.358 3.148 10 30 EGEEHM C=CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl ZINC001309431565 1384181675 /nfs/dbraw/zinc/18/16/75/1384181675.db2.gz WTOTZTKMYOWDFR-UHFFFAOYSA-N -1 3 342.770 3.388 10 30 EGEEHM CSc1nc([O-])c(C(=O)N2CCC=Cc3ccccc32)cc1C#N ZINC001338055435 1389530674 /nfs/dbraw/zinc/53/06/74/1389530674.db2.gz IGXMHXXGIBYRIV-UHFFFAOYSA-N -1 3 337.404 3.444 10 30 EGEEHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3cccc(F)n3)cnc21 ZINC001342563277 1390627081 /nfs/dbraw/zinc/62/70/81/1390627081.db2.gz VXPGHSQRPLFXNQ-AWEZNQCLSA-N -1 3 337.358 3.111 10 30 EGEEHM C=CCCC(=O)N1CCC(N(CCC)C(=O)c2ccccc2[O-])CC1 ZINC001687930184 1396550604 /nfs/dbraw/zinc/55/06/04/1396550604.db2.gz ZLMNEOQJKCAXMG-UHFFFAOYSA-N -1 3 344.455 3.202 10 30 EGEEHM C=C1CC(C)(C(=O)N[C@@H](C)CCCCNC(=O)c2ccccc2[O-])C1 ZINC001702107257 1415522630 /nfs/dbraw/zinc/52/26/30/1415522630.db2.gz ZLVDTNPZAPKKRI-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001703975369 1416217322 /nfs/dbraw/zinc/21/73/22/1416217322.db2.gz WRZLNSXVDCHWPJ-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)CCC(=O)NC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001718114166 1421834401 /nfs/dbraw/zinc/83/44/01/1421834401.db2.gz LTPHRUVFUTVRNQ-UHFFFAOYSA-N -1 3 344.455 3.248 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001735092629 1438381791 /nfs/dbraw/zinc/38/17/91/1438381791.db2.gz JNGCQPLSOQZVEU-UHFFFAOYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001739961402 1439451911 /nfs/dbraw/zinc/45/19/11/1439451911.db2.gz WCWQRACKRHRRDW-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)CC(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001744603869 1439670629 /nfs/dbraw/zinc/67/06/29/1439670629.db2.gz HGVPUVPANMFCMY-UHFFFAOYSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001759384943 1441274692 /nfs/dbraw/zinc/27/46/92/1441274692.db2.gz MIIJAYBDDJCVPW-FQEVSTJZSA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000368094991 168310773 /nfs/dbraw/zinc/31/07/73/168310773.db2.gz VKPZYOCFURQQNI-XCLFUZPHSA-N -1 3 341.455 3.247 10 30 EGEEHM O=C([O-])CC1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O ZINC000004380607 304080999 /nfs/dbraw/zinc/08/09/99/304080999.db2.gz YGVUHDPOGGNSET-HMWBCQRISA-N -1 3 345.424 3.286 10 30 EGEEHM O=c1[nH]c2ccccc2nc1C=C([O-])c1ccc(-n2ccnc2)cc1 ZINC000022115310 212277698 /nfs/dbraw/zinc/27/76/98/212277698.db2.gz CKIZOPVKGIFGOZ-BOPFTXTBSA-N -1 3 330.347 3.003 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc(F)c1F ZINC000348160034 141241057 /nfs/dbraw/zinc/24/10/57/141241057.db2.gz XJAPTVKUEBVING-UHFFFAOYSA-N -1 3 349.312 3.264 10 30 EGEEHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000318646461 154159894 /nfs/dbraw/zinc/15/98/94/154159894.db2.gz HJXHUWISCQGHMF-UHFFFAOYSA-N -1 3 326.299 3.085 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2Cl)s1 ZINC000435432432 268257009 /nfs/dbraw/zinc/25/70/09/268257009.db2.gz IRFFICAIDOOCQL-UHFFFAOYSA-N -1 3 347.248 3.405 10 30 EGEEHM CCCn1ncc(NC(=O)[N-]c2snc(C)c2C#N)c1C1CC1 ZINC000515042497 312261987 /nfs/dbraw/zinc/26/19/87/312261987.db2.gz ICDIODDABKVBIY-UHFFFAOYSA-N -1 3 330.417 3.451 10 30 EGEEHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000101715035 454481681 /nfs/dbraw/zinc/48/16/81/454481681.db2.gz WISSOVSPQSIXGI-AWEZNQCLSA-N -1 3 327.771 3.313 10 30 EGEEHM Cc1nc2sc3c(c2c(=O)n1N=Cc1ccccc1[O-])CCCC3 ZINC000252632632 455825627 /nfs/dbraw/zinc/82/56/27/455825627.db2.gz VVRUIRHNHWPGPM-UHFFFAOYSA-N -1 3 339.420 3.233 10 30 EGEEHM COc1cc(NC(=O)[N-]c2snc(C)c2C#N)cc(OC)c1C ZINC000297347850 456194519 /nfs/dbraw/zinc/19/45/19/456194519.db2.gz FRJMVLWQNPFBTO-UHFFFAOYSA-N -1 3 332.385 3.293 10 30 EGEEHM CCOc1cc(CN(C)[C@H](C)CC#N)cc(Br)c1[O-] ZINC000297863435 456312882 /nfs/dbraw/zinc/31/28/82/456312882.db2.gz PIAURCLTFCDNJG-SNVBAGLBSA-N -1 3 327.222 3.287 10 30 EGEEHM Cc1cc(C#N)ccc1C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000370879127 457732941 /nfs/dbraw/zinc/73/29/41/457732941.db2.gz MDGWVRINWQEMSB-UHFFFAOYSA-N -1 3 339.305 3.182 10 30 EGEEHM Cc1cc(C#N)ccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000370879127 457732945 /nfs/dbraw/zinc/73/29/45/457732945.db2.gz MDGWVRINWQEMSB-UHFFFAOYSA-N -1 3 339.305 3.182 10 30 EGEEHM Cc1cc(C#N)ccc1C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000370879127 457732948 /nfs/dbraw/zinc/73/29/48/457732948.db2.gz MDGWVRINWQEMSB-UHFFFAOYSA-N -1 3 339.305 3.182 10 30 EGEEHM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nccc2ccccc21 ZINC000361519038 457766630 /nfs/dbraw/zinc/76/66/30/457766630.db2.gz MHWWBYWLGAPDAX-KRWDZBQOSA-N -1 3 339.358 3.306 10 30 EGEEHM COCc1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000447516097 458303654 /nfs/dbraw/zinc/30/36/54/458303654.db2.gz MZDJTRZMSLHDHN-UHFFFAOYSA-N -1 3 340.364 3.068 10 30 EGEEHM N#CC[C@@H]1CC[C@H](NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)C1 ZINC000452558866 458502812 /nfs/dbraw/zinc/50/28/12/458502812.db2.gz YKSGXIUPKMLAOU-KSSFIOAISA-N -1 3 348.402 3.435 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000431639372 458599705 /nfs/dbraw/zinc/59/97/05/458599705.db2.gz LQHQHGSPJIGYLG-AWEZNQCLSA-N -1 3 335.454 3.165 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)s1 ZINC000431639374 458599776 /nfs/dbraw/zinc/59/97/76/458599776.db2.gz LQHQHGSPJIGYLG-CQSZACIVSA-N -1 3 335.454 3.165 10 30 EGEEHM Cc1cc(C)cc(-c2cc(=NC(=O)c3cccc(CC#N)c3)[nH][n-]2)c1 ZINC000512550129 458785511 /nfs/dbraw/zinc/78/55/11/458785511.db2.gz CKAOZQLUTPXXIT-UHFFFAOYSA-N -1 3 330.391 3.434 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)cc1F ZINC000594869730 459164322 /nfs/dbraw/zinc/16/43/22/459164322.db2.gz SEVXMRJXYPBCLJ-UHFFFAOYSA-N -1 3 328.384 3.026 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)Cc2c(F)cccc2Cl)CCCCC1 ZINC000594883814 459165601 /nfs/dbraw/zinc/16/56/01/459165601.db2.gz JAKLKXVBGFWFKK-UHFFFAOYSA-N -1 3 344.839 3.373 10 30 EGEEHM Cc1cc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)ccc1[O-] ZINC000499571058 459640600 /nfs/dbraw/zinc/64/06/00/459640600.db2.gz KZEFUKLWBINFFA-AWEZNQCLSA-N -1 3 345.196 3.458 10 30 EGEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000592950529 459723126 /nfs/dbraw/zinc/72/31/26/459723126.db2.gz QGUYNJIRRWQKIM-QGZVFWFLSA-N -1 3 340.427 3.177 10 30 EGEEHM CC1(c2cc([N-]C(=O)c3ncc(C#N)cc3Cl)no2)CCCC1 ZINC000573890187 459751077 /nfs/dbraw/zinc/75/10/77/459751077.db2.gz WJEWUEBLWAXDAW-UHFFFAOYSA-N -1 3 330.775 3.101 10 30 EGEEHM CCOc1nc2cc(C(=O)NCC3(C#N)CCCCC3)ccc2[n-]1 ZINC000598313426 459862120 /nfs/dbraw/zinc/86/21/20/459862120.db2.gz JRBXEKKVZRPCJZ-UHFFFAOYSA-N -1 3 326.400 3.165 10 30 EGEEHM CCOc1nc2ccc(C(=O)NCC3(C#N)CCCCC3)cc2[n-]1 ZINC000598313426 459862126 /nfs/dbraw/zinc/86/21/26/459862126.db2.gz JRBXEKKVZRPCJZ-UHFFFAOYSA-N -1 3 326.400 3.165 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1F ZINC000593540337 459919401 /nfs/dbraw/zinc/91/94/01/459919401.db2.gz SFDGZNCQFGNSHR-UHFFFAOYSA-N -1 3 338.429 3.015 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1Cc2ccccc2[C@@H]1C ZINC000598101489 460174288 /nfs/dbraw/zinc/17/42/88/460174288.db2.gz MOUAAERLKGCYTM-ORAYPTAESA-N -1 3 349.434 3.053 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)s1 ZINC000619547955 460380711 /nfs/dbraw/zinc/38/07/11/460380711.db2.gz QRUUEOLOAPKUBH-OAHLLOKOSA-N -1 3 332.450 3.439 10 30 EGEEHM CC#CCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000613517806 460978525 /nfs/dbraw/zinc/97/85/25/460978525.db2.gz IXHJWYJWTKGOSU-UHFFFAOYSA-N -1 3 343.164 3.129 10 30 EGEEHM O=S(=O)(Cc1ccccc1)[N-]N=C1CC(c2ccccc2F)C1 ZINC000743435280 576809176 /nfs/dbraw/zinc/80/91/76/576809176.db2.gz AMJABOMYBITQRV-UHFFFAOYSA-N -1 3 332.400 3.179 10 30 EGEEHM COc1ccc2c(c1)CCC[C@H]2CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692629 1296023095 /nfs/dbraw/zinc/02/30/95/1296023095.db2.gz IQWPYUKXYQXWGZ-INIZCTEOSA-N -1 3 336.391 3.487 10 30 EGEEHM N#Cc1cccc(Cl)c1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000871692815 1296483482 /nfs/dbraw/zinc/48/34/82/1296483482.db2.gz UNKQYAWTRXMAKK-UHFFFAOYSA-N -1 3 333.800 3.072 10 30 EGEEHM C=CC[S@@](=O)(=NC(=O)c1c[n-]nc1[C@H]1CCCO1)c1ccccc1 ZINC000891382056 1305035743 /nfs/dbraw/zinc/03/57/43/1305035743.db2.gz JNNUZODUSCODGR-MYYSRTQBSA-N -1 3 345.424 3.115 10 30 EGEEHM C#CCC1([N-]S(=O)(=O)c2cc(C)c(Br)s2)CCC1 ZINC001213813932 1372965630 /nfs/dbraw/zinc/96/56/30/1372965630.db2.gz FNOSEMFLUIYBKR-UHFFFAOYSA-N -1 3 348.287 3.043 10 30 EGEEHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001136934718 1377443215 /nfs/dbraw/zinc/44/32/15/1377443215.db2.gz QTDBMAXFBNPOBG-MGNBDDOMSA-N -1 3 345.349 3.009 10 30 EGEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(C)C ZINC001272120943 1377657363 /nfs/dbraw/zinc/65/73/63/1377657363.db2.gz SPNBMNZXGQMANS-GFCCVEGCSA-N -1 3 330.172 3.315 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001280794239 1378379154 /nfs/dbraw/zinc/37/91/54/1378379154.db2.gz PGJIBJKTCCZCIH-LIRRHRJNSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CC(C)(C)CNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001297826130 1383251326 /nfs/dbraw/zinc/25/13/26/1383251326.db2.gz OTPCPTKYWKCQPZ-UHFFFAOYSA-N -1 3 349.228 3.233 10 30 EGEEHM COc1cccnc1CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306892556 1383916273 /nfs/dbraw/zinc/91/62/73/1383916273.db2.gz GPPMXRCWTBIFSN-UHFFFAOYSA-N -1 3 341.194 3.358 10 30 EGEEHM C=C(C)CN1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1[O-] ZINC001315842718 1384454138 /nfs/dbraw/zinc/45/41/38/1384454138.db2.gz JYQUCVQABJOVRJ-LJQANCHMSA-N -1 3 336.435 3.298 10 30 EGEEHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc2ncsc2c1 ZINC001321465370 1386910197 /nfs/dbraw/zinc/91/01/97/1386910197.db2.gz XTKMIRSJDJEWHE-SNVBAGLBSA-N -1 3 343.433 3.096 10 30 EGEEHM C=CC1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001338588687 1389711858 /nfs/dbraw/zinc/71/18/58/1389711858.db2.gz MPQJGTGYJNDAEB-UHFFFAOYSA-N -1 3 341.440 3.200 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001735084878 1438378988 /nfs/dbraw/zinc/37/89/88/1438378988.db2.gz SFDXXAWRKLFIIS-LIRRHRJNSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCCC(=O)N1CCC(CCN(C)C(=O)c2ccccc2[O-])CC1 ZINC001738304134 1439088391 /nfs/dbraw/zinc/08/83/91/1439088391.db2.gz IHOXWISMHRSMHM-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM N#Cc1ccc(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 ZINC000003348634 210015105 /nfs/dbraw/zinc/01/51/05/210015105.db2.gz VLNUJIZTODYWFG-UHFFFAOYSA-N -1 3 340.320 3.435 10 30 EGEEHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000009155158 258053726 /nfs/dbraw/zinc/05/37/26/258053726.db2.gz PTGLAVMBRKPGTG-BONVTDFDSA-N -1 3 349.485 3.068 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCC[C@H](C)C1 ZINC000115277842 152003599 /nfs/dbraw/zinc/00/35/99/152003599.db2.gz PWXFRALHUIGOLA-BBRMVZONSA-N -1 3 343.471 3.129 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1Cl ZINC000431173857 268191955 /nfs/dbraw/zinc/19/19/55/268191955.db2.gz WKCRYZCVWGJZFS-UHFFFAOYSA-N -1 3 346.717 3.430 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000067951205 307368579 /nfs/dbraw/zinc/36/85/79/307368579.db2.gz GEMDSTRNSGPFES-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000183659678 455317803 /nfs/dbraw/zinc/31/78/03/455317803.db2.gz FGOGBCXCUCVSNC-GJZGRUSLSA-N -1 3 346.839 3.294 10 30 EGEEHM Cc1cc(C(=O)Nc2nnc(-c3ccco3)[n-]2)nn1-c1ccccc1 ZINC000076462232 454003137 /nfs/dbraw/zinc/00/31/37/454003137.db2.gz MYRFENLGGKPLLK-UHFFFAOYSA-N -1 3 334.339 3.195 10 30 EGEEHM Cc1cc(C(=O)Nc2nc(-c3ccco3)n[n-]2)nn1-c1ccccc1 ZINC000076462232 454003140 /nfs/dbraw/zinc/00/31/40/454003140.db2.gz MYRFENLGGKPLLK-UHFFFAOYSA-N -1 3 334.339 3.195 10 30 EGEEHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nn1-c1ccccc1 ZINC000076462232 454003143 /nfs/dbraw/zinc/00/31/43/454003143.db2.gz MYRFENLGGKPLLK-UHFFFAOYSA-N -1 3 334.339 3.195 10 30 EGEEHM CCc1cc(C#N)c([N-]C(=O)c2csc(-c3ncccn3)n2)s1 ZINC000079263983 454388933 /nfs/dbraw/zinc/38/89/33/454388933.db2.gz OSWNJXKIDUCHAO-UHFFFAOYSA-N -1 3 341.421 3.348 10 30 EGEEHM Cc1cc(C#N)ccc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000133615258 454446914 /nfs/dbraw/zinc/44/69/14/454446914.db2.gz VGXHQGMYPHEDJQ-UHFFFAOYSA-N -1 3 345.196 3.265 10 30 EGEEHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000073974086 454511247 /nfs/dbraw/zinc/51/12/47/454511247.db2.gz YZVQGHHAHKRLRM-GFCCVEGCSA-N -1 3 330.731 3.310 10 30 EGEEHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000073974086 454511250 /nfs/dbraw/zinc/51/12/50/454511250.db2.gz YZVQGHHAHKRLRM-GFCCVEGCSA-N -1 3 330.731 3.310 10 30 EGEEHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000073974086 454511253 /nfs/dbraw/zinc/51/12/53/454511253.db2.gz YZVQGHHAHKRLRM-GFCCVEGCSA-N -1 3 330.731 3.310 10 30 EGEEHM COc1ccccc1C=CC([O-])=C(C#N)C(=O)Nc1ccc(F)cc1 ZINC000103501868 454561347 /nfs/dbraw/zinc/56/13/47/454561347.db2.gz ZPSJTSBMRQCUBI-HKUPYCBJSA-N -1 3 338.338 3.195 10 30 EGEEHM CNc1nc2ccccc2n1N=Cc1cc(Br)ccc1[O-] ZINC000252623725 455823774 /nfs/dbraw/zinc/82/37/74/455823774.db2.gz OXWPSOQHYWQHSY-UHFFFAOYSA-N -1 3 345.200 3.428 10 30 EGEEHM COc1ccc([O-])cc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000188821440 456145084 /nfs/dbraw/zinc/14/50/84/456145084.db2.gz WUQGUCBACUVDMT-UHFFFAOYSA-N -1 3 326.352 3.312 10 30 EGEEHM C=CCOc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000347774106 456361189 /nfs/dbraw/zinc/36/11/89/456361189.db2.gz HKCKSIYGXPNRPY-UHFFFAOYSA-N -1 3 334.375 3.023 10 30 EGEEHM C=CCOc1cccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000340675193 456615337 /nfs/dbraw/zinc/61/53/37/456615337.db2.gz ZZRJDRWNYBZFKZ-HXUWFJFHSA-N -1 3 341.382 3.406 10 30 EGEEHM CCOc1cc(CN[C@@H](CC)CC#N)cc(Br)c1[O-] ZINC000291449958 456647016 /nfs/dbraw/zinc/64/70/16/456647016.db2.gz LRYFHZUWLLYSLM-NSHDSACASA-N -1 3 327.222 3.335 10 30 EGEEHM Cc1ncc(CO)c(/C=N/CCCCOCc2ccccc2)c1[O-] ZINC000299445644 456695843 /nfs/dbraw/zinc/69/58/43/456695843.db2.gz KEKSQTSZKOEJMO-UDWIEESQSA-N -1 3 328.412 3.004 10 30 EGEEHM N#Cc1ccc2c(c1)N(C(=O)c1c[n-]nc1-c1ccc(F)cc1)CC2 ZINC000339817115 457287487 /nfs/dbraw/zinc/28/74/87/457287487.db2.gz YYPHBPGJKAQCPS-UHFFFAOYSA-N -1 3 332.338 3.290 10 30 EGEEHM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000361522188 457768991 /nfs/dbraw/zinc/76/89/91/457768991.db2.gz ADCFQTLQQIGSFZ-IBGZPJMESA-N -1 3 343.386 3.361 10 30 EGEEHM CCOC(=O)c1sc([N-]C(=O)c2ccc(C#N)o2)nc1C(C)C ZINC000450252733 458443410 /nfs/dbraw/zinc/44/34/10/458443410.db2.gz ACZIFZUIULFFTE-UHFFFAOYSA-N -1 3 333.369 3.160 10 30 EGEEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000451730860 458486608 /nfs/dbraw/zinc/48/66/08/458486608.db2.gz CIJXEUDXUSURJB-AAEUAGOBSA-N -1 3 336.388 3.241 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCC(F)(F)CC1 ZINC000594486888 459057155 /nfs/dbraw/zinc/05/71/55/459057155.db2.gz KJWDNZPKHOQBKN-SNVBAGLBSA-N -1 3 346.374 3.190 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@H](C)F ZINC000594776982 459154462 /nfs/dbraw/zinc/15/44/62/459154462.db2.gz ROIFUEVDXDTJGY-VIFPVBQESA-N -1 3 326.418 3.108 10 30 EGEEHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000594860965 459162660 /nfs/dbraw/zinc/16/26/60/459162660.db2.gz FZZRDWDZDLZOTH-CQSZACIVSA-N -1 3 346.374 3.434 10 30 EGEEHM N#Cc1ccc([N-]S(=O)(=O)CCCC2CCOCC2)cc1Cl ZINC000592382191 459587044 /nfs/dbraw/zinc/58/70/44/459587044.db2.gz LLABRDSDHFHRKP-UHFFFAOYSA-N -1 3 342.848 3.160 10 30 EGEEHM Cc1ccc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cc1 ZINC000593529367 459917203 /nfs/dbraw/zinc/91/72/03/459917203.db2.gz CTGWMTVVMUPVJF-MRXNPFEDSA-N -1 3 332.450 3.358 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCCC(F)(F)C1 ZINC000593599353 459931028 /nfs/dbraw/zinc/93/10/28/459931028.db2.gz VHTHAXCFPFKPGP-SNVBAGLBSA-N -1 3 334.413 3.114 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C2CCC2)CC1 ZINC000597995992 460139618 /nfs/dbraw/zinc/13/96/18/460139618.db2.gz WNSLXMGKCMYIII-UHFFFAOYSA-N -1 3 341.455 3.247 10 30 EGEEHM COc1cccc(N2CCC[C@H](/N=C\c3c([O-])cccc3OC)C2)c1 ZINC000735228313 575619655 /nfs/dbraw/zinc/61/96/55/575619655.db2.gz AIQDTKLEVMINRS-MNAFEPAFSA-N -1 3 340.423 3.497 10 30 EGEEHM [O-]c1c(O)ccc(C=Nc2nc3cc(C(F)(F)F)ccc3[nH]2)c1O ZINC000255841787 1296570877 /nfs/dbraw/zinc/57/08/77/1296570877.db2.gz CVCSXZGSSFTHQH-UHFFFAOYSA-N -1 3 337.257 3.449 10 30 EGEEHM CCCCCCN([O-])C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001184314668 1387427668 /nfs/dbraw/zinc/42/76/68/1387427668.db2.gz FUSIQLJRAJCDLP-UHFFFAOYSA-N -1 3 338.360 3.168 10 30 EGEEHM CCCCCCN([O-])C(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001184314847 1387427809 /nfs/dbraw/zinc/42/78/09/1387427809.db2.gz NFOWAKFHROJOGN-UHFFFAOYSA-N -1 3 330.310 3.160 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001288178367 1381640636 /nfs/dbraw/zinc/64/06/36/1381640636.db2.gz NAWOLXVETQCWEI-MRXNPFEDSA-N -1 3 346.471 3.304 10 30 EGEEHM C=CCC1(C(=O)NCCCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001293155756 1382263384 /nfs/dbraw/zinc/26/33/84/1382263384.db2.gz LASZXRLLTKMDFV-UHFFFAOYSA-N -1 3 344.455 3.155 10 30 EGEEHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001300211685 1383653003 /nfs/dbraw/zinc/65/30/03/1383653003.db2.gz ZPNYEYIRMMSJMO-ZNMIVQPWSA-N -1 3 340.464 3.472 10 30 EGEEHM CCn1c(=O)[nH]c2cc(C(=O)N([O-])Cc3ccccc3Cl)ccc21 ZINC001306894764 1383915691 /nfs/dbraw/zinc/91/56/91/1383915691.db2.gz QBDKLXBQMJFKMU-UHFFFAOYSA-N -1 3 345.786 3.447 10 30 EGEEHM Cc1cn2cc(CC(=O)N([O-])CCCCc3ccccc3)nc2s1 ZINC001306896067 1383915939 /nfs/dbraw/zinc/91/59/39/1383915939.db2.gz IYDRSVYKICCZOX-UHFFFAOYSA-N -1 3 343.452 3.487 10 30 EGEEHM CCCCCCN([O-])C(=O)Cn1cc(C(=O)OC)c2ccccc21 ZINC001306896554 1383916813 /nfs/dbraw/zinc/91/68/13/1383916813.db2.gz BSIDVSSCORQZSQ-UHFFFAOYSA-N -1 3 332.400 3.226 10 30 EGEEHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC1 ZINC001346703801 1390971683 /nfs/dbraw/zinc/97/16/83/1390971683.db2.gz QMAYAUXJNKGDLY-UHFFFAOYSA-N -1 3 341.440 3.437 10 30 EGEEHM C=CCC1(C(=O)N(C)CCCNC(=O)c2ccccc2[O-])CCCC1 ZINC001492276713 1396317782 /nfs/dbraw/zinc/31/77/82/1396317782.db2.gz CNMCMSCXEZAEJX-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001721514181 1423428608 /nfs/dbraw/zinc/42/86/08/1423428608.db2.gz OGQGEGVMTCGAID-LJQANCHMSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCCCC(=O)N1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001722242069 1424162216 /nfs/dbraw/zinc/16/22/16/1424162216.db2.gz KJOUHKUIJQLBFE-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CCC1(C(=O)NC[C@H](C)N(C)C(=O)c2ccccc2[O-])CCCC1 ZINC001734782364 1438270750 /nfs/dbraw/zinc/27/07/50/1438270750.db2.gz KGSWTCRGGVKMDA-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001734839378 1438296355 /nfs/dbraw/zinc/29/63/55/1438296355.db2.gz FNQNZKQKMVKGGW-UHFFFAOYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001735084676 1438379035 /nfs/dbraw/zinc/37/90/35/1438379035.db2.gz SFDXXAWRKLFIIS-IFXJQAMLSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001737510647 1438812974 /nfs/dbraw/zinc/81/29/74/1438812974.db2.gz AETNYZOXYAGITP-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001739199699 1439296443 /nfs/dbraw/zinc/29/64/43/1439296443.db2.gz VOOGFURHRIAFKY-GJZGRUSLSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C1CCC(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001759531872 1441305022 /nfs/dbraw/zinc/30/50/22/1441305022.db2.gz FOKLCGFLPKEKNL-KRWDZBQOSA-N -1 3 344.455 3.009 10 30 EGEEHM O=S(=O)(c1ccc(/N=C/c2ccc([O-])cc2)cc1)N1CCCCC1 ZINC000100037978 219089119 /nfs/dbraw/zinc/08/91/19/219089119.db2.gz MYAVHDHSALRAGE-XMHGGMMESA-N -1 3 344.436 3.317 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1csc([N+](=O)[O-])c1)CCCC2 ZINC000187117843 236122386 /nfs/dbraw/zinc/12/23/86/236122386.db2.gz MPWLXPJZMBKXPC-UHFFFAOYSA-N -1 3 328.353 3.054 10 30 EGEEHM O=C([O-])CC1S/C(=N/N=C2CCCCC2)N(c2ccccc2)C1=O ZINC000004380608 304087313 /nfs/dbraw/zinc/08/73/13/304087313.db2.gz YGVUHDPOGGNSET-UFOSLELVSA-N -1 3 345.424 3.286 10 30 EGEEHM N#Cc1cc(F)cc(C2(C(=O)N=c3cc(-c4ccccc4)[n-][nH]3)CC2)c1 ZINC000351680180 165131262 /nfs/dbraw/zinc/13/12/62/165131262.db2.gz ZQBWHVZLWCKTCS-UHFFFAOYSA-N -1 3 346.365 3.180 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@H]1c1ccccc1 ZINC000430023192 268182668 /nfs/dbraw/zinc/18/26/68/268182668.db2.gz CTINSHKTXFYQIL-GJZGRUSLSA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000430023194 268182727 /nfs/dbraw/zinc/18/27/27/268182727.db2.gz CTINSHKTXFYQIL-HUUCEWRRSA-N -1 3 332.812 3.046 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC/C=C\c1ccccc1 ZINC000254987538 308036385 /nfs/dbraw/zinc/03/63/85/308036385.db2.gz VXXBMBGNEJVQNA-TWGQIWQCSA-N -1 3 335.407 3.038 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1Cl ZINC000055554935 453994610 /nfs/dbraw/zinc/99/46/10/453994610.db2.gz DCACQNZIDBAECM-UHFFFAOYSA-N -1 3 346.717 3.430 10 30 EGEEHM COc1ccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073974547 454511149 /nfs/dbraw/zinc/51/11/49/454511149.db2.gz FTIWGCULDFZUAF-JTQLQIEISA-N -1 3 328.328 3.129 10 30 EGEEHM COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073974547 454511156 /nfs/dbraw/zinc/51/11/56/454511156.db2.gz FTIWGCULDFZUAF-JTQLQIEISA-N -1 3 328.328 3.129 10 30 EGEEHM COc1ccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073974547 454511160 /nfs/dbraw/zinc/51/11/60/454511160.db2.gz FTIWGCULDFZUAF-JTQLQIEISA-N -1 3 328.328 3.129 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ncon2)cc1 ZINC000107407939 454755310 /nfs/dbraw/zinc/75/53/10/454755310.db2.gz OXRPYXZZDHVMKE-CQSZACIVSA-N -1 3 343.346 3.113 10 30 EGEEHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@@H](C)C#N ZINC000171632979 455080733 /nfs/dbraw/zinc/08/07/33/455080733.db2.gz ORNWOSFDYREJQC-NSHDSACASA-N -1 3 342.424 3.226 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000293133352 455775830 /nfs/dbraw/zinc/77/58/30/455775830.db2.gz JEZZNYPUYQIKRB-GFCCVEGCSA-N -1 3 342.773 3.163 10 30 EGEEHM [O-]c1ccc(Cl)cc1CN=Nc1nncc(-c2ccccc2)n1 ZINC000252626214 455824073 /nfs/dbraw/zinc/82/40/73/455824073.db2.gz QYLZMAKJXAWJIQ-UHFFFAOYSA-N -1 3 325.759 3.344 10 30 EGEEHM C=CCCc1ccccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000337138658 456329924 /nfs/dbraw/zinc/32/99/24/456329924.db2.gz PEWOPLGTOAFFGP-UHFFFAOYSA-N -1 3 325.412 3.489 10 30 EGEEHM C=C(C)CC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000451804541 458488018 /nfs/dbraw/zinc/48/80/18/458488018.db2.gz VITZPBFCBDGZON-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC000431624266 458597354 /nfs/dbraw/zinc/59/73/54/458597354.db2.gz VHGRSLWVRAJJNY-HNNXBMFYSA-N -1 3 333.413 3.005 10 30 EGEEHM Cc1cc(C)cc(-c2cc(=NC(=O)COc3ccccc3C#N)[nH][n-]2)c1 ZINC000512535759 458785447 /nfs/dbraw/zinc/78/54/47/458785447.db2.gz KCIKDCAWZQPTHB-UHFFFAOYSA-N -1 3 346.390 3.005 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCC(F)CC1 ZINC000595357832 459282814 /nfs/dbraw/zinc/28/28/14/459282814.db2.gz CILBIPKGWMMXQG-PKSQDBQZSA-N -1 3 344.839 3.407 10 30 EGEEHM Cc1[n-][nH]c(=NC(=O)[C@H](C)Oc2ccccc2C#N)c1-c1ccccc1 ZINC000523333326 459289967 /nfs/dbraw/zinc/28/99/67/459289967.db2.gz QPESFCNLHFMIAL-AWEZNQCLSA-N -1 3 346.390 3.085 10 30 EGEEHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593276863 459827455 /nfs/dbraw/zinc/82/74/55/459827455.db2.gz YACXJWQZIAVJJB-MRVPVSSYSA-N -1 3 327.258 3.167 10 30 EGEEHM N#CCc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000565022908 459780621 /nfs/dbraw/zinc/78/06/21/459780621.db2.gz ULSSVQIQOQHOGV-UHFFFAOYSA-N -1 3 326.371 3.236 10 30 EGEEHM CCC(F)(F)C(C)(C)CS(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000599347415 460233996 /nfs/dbraw/zinc/23/39/96/460233996.db2.gz RCLKJODIEGDBSB-UHFFFAOYSA-N -1 3 336.448 3.451 10 30 EGEEHM C=C(C)C[C@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OC ZINC000601783179 460897512 /nfs/dbraw/zinc/89/75/12/460897512.db2.gz AHHIYKWBHAPULQ-KRWDZBQOSA-N -1 3 341.407 3.102 10 30 EGEEHM COc1cccc([O-])c1/C=N/[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000730146623 574925585 /nfs/dbraw/zinc/92/55/85/574925585.db2.gz CIKGPFMPFVNTAK-DZUMZMOTSA-N -1 3 329.396 3.468 10 30 EGEEHM Cc1ncc(CO)c(/C=N\Cc2ccccc2OC2CCC2)c1[O-] ZINC000735620375 575692502 /nfs/dbraw/zinc/69/25/02/575692502.db2.gz YPZIYWUTZGXVRT-JAIQZWGSSA-N -1 3 326.396 3.138 10 30 EGEEHM Cn1cc(N2CCC[C@@H](/N=C\c3c([O-])ccc4ccccc43)C2)cn1 ZINC000741463179 576687903 /nfs/dbraw/zinc/68/79/03/576687903.db2.gz AEBOXWYHTUBDTJ-YQODDJSKSA-N -1 3 334.423 3.367 10 30 EGEEHM C=CCCC[C@@H](C(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1ccccc1 ZINC000913296155 1319001730 /nfs/dbraw/zinc/00/17/30/1319001730.db2.gz WYMWXRVDLRXCAZ-MRXNPFEDSA-N -1 3 337.423 3.473 10 30 EGEEHM CCOC(=O)[C@@H](C(=O)N([O-])Cc1cccc2ccccc21)C(C)C ZINC001184339526 1387433667 /nfs/dbraw/zinc/43/36/67/1387433667.db2.gz GURSQKHYGXGPTP-QGZVFWFLSA-N -1 3 329.396 3.393 10 30 EGEEHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001213216172 1372862533 /nfs/dbraw/zinc/86/25/33/1372862533.db2.gz QDUFDNDPGRLXHW-UHFFFAOYSA-N -1 3 330.381 3.065 10 30 EGEEHM C#C[C@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Br)cc1 ZINC001129730972 1373417647 /nfs/dbraw/zinc/41/76/47/1373417647.db2.gz OSTXHMXWCWUZOS-LBPRGKRZSA-N -1 3 328.156 3.451 10 30 EGEEHM O=C(c1cc(Br)c[nH]1)N([O-])Cc1ccccc1Cl ZINC001161802336 1382510378 /nfs/dbraw/zinc/51/03/78/1382510378.db2.gz RQRXXZIZVRSGET-UHFFFAOYSA-N -1 3 329.581 3.462 10 30 EGEEHM CCCCCCN([O-])C(=O)c1nnn(Cc2ccc(F)cc2)c1CC ZINC001161826538 1382522041 /nfs/dbraw/zinc/52/20/41/1382522041.db2.gz DZBXCPYXEJYGFL-UHFFFAOYSA-N -1 3 348.422 3.440 10 30 EGEEHM COc1ccc(C(=O)CCC(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC001306898528 1383916730 /nfs/dbraw/zinc/91/67/30/1383916730.db2.gz HINKFOVSYQUTMT-UHFFFAOYSA-N -1 3 331.343 3.215 10 30 EGEEHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ncc(Cl)cn3)sc2C1 ZINC001350719476 1391514189 /nfs/dbraw/zinc/51/41/89/1391514189.db2.gz JLJSRPOXODMNMK-MRVPVSSYSA-N -1 3 332.816 3.440 10 30 EGEEHM C=CCCCC(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688088406 1396714078 /nfs/dbraw/zinc/71/40/78/1396714078.db2.gz YMDLVRBEGGHWPM-JKSUJKDBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001705375201 1417051240 /nfs/dbraw/zinc/05/12/40/1417051240.db2.gz RVFOXTTZKAXZTG-QGZVFWFLSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CC(C)(C)CC(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001725933343 1426629364 /nfs/dbraw/zinc/62/93/64/1426629364.db2.gz KIINIPULSYSDLI-UHFFFAOYSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CCC1(C(=O)N[C@H](C)[C@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001734696959 1438226575 /nfs/dbraw/zinc/22/65/75/1438226575.db2.gz XIIYGGSOJNMNEZ-LSDHHAIUSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N1CCC(CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001737973307 1438962080 /nfs/dbraw/zinc/96/20/80/1438962080.db2.gz ONKVXSMQVOMIQG-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001740050007 1439459638 /nfs/dbraw/zinc/45/96/38/1439459638.db2.gz NUHFHTFCSBHPQZ-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746966439 1439971434 /nfs/dbraw/zinc/97/14/34/1439971434.db2.gz WOGDPKVOHJXIEO-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3)[n-]2)cc1 ZINC000009388529 211079802 /nfs/dbraw/zinc/07/98/02/211079802.db2.gz MEPSFBQDWFPEKM-UHFFFAOYSA-N -1 3 335.392 3.221 10 30 EGEEHM N#Cc1ccc(C(=O)Nc2nc(SCc3ccccc3)n[n-]2)cc1 ZINC000009388529 211079807 /nfs/dbraw/zinc/07/98/07/211079807.db2.gz MEPSFBQDWFPEKM-UHFFFAOYSA-N -1 3 335.392 3.221 10 30 EGEEHM N#Cc1ccc(C(=O)Nc2n[n-]c(SCc3ccccc3)n2)cc1 ZINC000009388529 211079812 /nfs/dbraw/zinc/07/98/12/211079812.db2.gz MEPSFBQDWFPEKM-UHFFFAOYSA-N -1 3 335.392 3.221 10 30 EGEEHM Cc1sc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)c(C#N)c1C ZINC000351506995 144271522 /nfs/dbraw/zinc/27/15/22/144271522.db2.gz LSMUFOSUDKXXIN-UHFFFAOYSA-N -1 3 343.437 3.346 10 30 EGEEHM C[C@H]([N-]C(=O)[C@@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000025425911 453772107 /nfs/dbraw/zinc/77/21/07/453772107.db2.gz WGNUDVQAHOGFJX-OIBJUYFYSA-N -1 3 332.219 3.201 10 30 EGEEHM COc1ccc(C)cc1C=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000096809578 454382742 /nfs/dbraw/zinc/38/27/42/454382742.db2.gz WVXOOOSLNRHZQO-XQRVVYSFSA-N -1 3 326.278 3.442 10 30 EGEEHM COc1ccc(C)cc1C=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000096809578 454382747 /nfs/dbraw/zinc/38/27/47/454382747.db2.gz WVXOOOSLNRHZQO-XQRVVYSFSA-N -1 3 326.278 3.442 10 30 EGEEHM COc1ccc2c(c1)[n-]cc(C(=O)N(CCC#N)CCC(C)C)c2=O ZINC000298123588 456369603 /nfs/dbraw/zinc/36/96/03/456369603.db2.gz MZONAWGFDHUWFJ-UHFFFAOYSA-N -1 3 341.411 3.351 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)CCCC1 ZINC000352886380 456390258 /nfs/dbraw/zinc/39/02/58/456390258.db2.gz WABOFSXSXXOGBI-UHFFFAOYSA-N -1 3 344.436 3.450 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000303988673 456499016 /nfs/dbraw/zinc/49/90/16/456499016.db2.gz ONAOKVJVYRVDBH-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM C=CCOc1cccc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)c1 ZINC000340675192 456614547 /nfs/dbraw/zinc/61/45/47/456614547.db2.gz ZZRJDRWNYBZFKZ-FQEVSTJZSA-N -1 3 341.382 3.406 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000345366292 456977138 /nfs/dbraw/zinc/97/71/38/456977138.db2.gz JXVCSGMZVGVXBL-GFCCVEGCSA-N -1 3 341.411 3.119 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)c[n-]1 ZINC000340109649 457336032 /nfs/dbraw/zinc/33/60/32/457336032.db2.gz XCJDNBWIWZCTJE-NSHDSACASA-N -1 3 343.408 3.448 10 30 EGEEHM COC(=O)c1cccc(F)c1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000446112607 458149910 /nfs/dbraw/zinc/14/99/10/458149910.db2.gz QFMZVUGUXVVDRA-UHFFFAOYSA-N -1 3 334.253 3.014 10 30 EGEEHM CC(C)n1cnc(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)c1 ZINC000431622064 458596493 /nfs/dbraw/zinc/59/64/93/458596493.db2.gz DWFJEOYWXUKNDM-MRXNPFEDSA-N -1 3 346.456 3.177 10 30 EGEEHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000562305745 459535848 /nfs/dbraw/zinc/53/58/48/459535848.db2.gz VCSYFDPZJGAVSB-VIFPVBQESA-N -1 3 342.380 3.300 10 30 EGEEHM Cc1noc(C(F)F)c1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000614298880 460085014 /nfs/dbraw/zinc/08/50/14/460085014.db2.gz YKRYXTCRIUPPKG-UHFFFAOYSA-N -1 3 332.310 3.318 10 30 EGEEHM C=CC(C)(C)CCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000628314058 461084133 /nfs/dbraw/zinc/08/41/33/461084133.db2.gz LOXKOMCYOYBKLG-UHFFFAOYSA-N -1 3 326.234 3.416 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)CCOCC1 ZINC000657129255 461971303 /nfs/dbraw/zinc/97/13/03/461971303.db2.gz IXOJYKPRKWKCKE-UHFFFAOYSA-N -1 3 347.839 3.191 10 30 EGEEHM CCCCCCCCS(=O)(=O)[N-]/N=C/c1ccccc1[N+](=O)[O-] ZINC000003083812 520045960 /nfs/dbraw/zinc/04/59/60/520045960.db2.gz QEAPHXDKTWCBAU-DTQAZKPQSA-N -1 3 341.433 3.209 10 30 EGEEHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CSc1ccc(C#N)cc1F ZINC000741862248 576728570 /nfs/dbraw/zinc/72/85/70/576728570.db2.gz XPNMWLKLKVPHET-LLVKDONJSA-N -1 3 344.415 3.018 10 30 EGEEHM N#Cc1ccc([N-]S(=O)(=O)c2ccsc2)c(Br)c1 ZINC000714359623 1298272306 /nfs/dbraw/zinc/27/23/06/1298272306.db2.gz LSAKNXVROASYGH-UHFFFAOYSA-N -1 3 343.227 3.183 10 30 EGEEHM C=CC[S@](=O)(=NC([O-])=C(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000891383251 1305035929 /nfs/dbraw/zinc/03/59/29/1305035929.db2.gz XYONAZADKAJECW-JCQPUDPBSA-N -1 3 337.441 3.204 10 30 EGEEHM COC(=O)C12CC(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)(C1)C2 ZINC001184235542 1387418016 /nfs/dbraw/zinc/41/80/16/1387418016.db2.gz LEZKXPLBSOUSLI-UHFFFAOYSA-N -1 3 344.194 3.055 10 30 EGEEHM Cn1cc2c(n1)CCC[C@@H]2C(=O)N([O-])CCCCc1ccccc1 ZINC001119616082 1371376533 /nfs/dbraw/zinc/37/65/33/1371376533.db2.gz CAJACHIKPFQUDB-INIZCTEOSA-N -1 3 327.428 3.081 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H](c1ccccc1)C(F)(F)C(=O)OCC ZINC001129123645 1373348326 /nfs/dbraw/zinc/34/83/26/1373348326.db2.gz MOORUJRKVXWTTN-GFCCVEGCSA-N -1 3 347.308 3.254 10 30 EGEEHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OCc3ccccc3)n[n-]2)C1 ZINC001158344711 1381210265 /nfs/dbraw/zinc/21/02/65/1381210265.db2.gz GCCFHKPNPNYBDR-UHFFFAOYSA-N -1 3 325.368 3.062 10 30 EGEEHM C=C1CC(C)(C(=O)Nc2cc(C(=O)OCc3ccccc3)[n-]n2)C1 ZINC001158344711 1381210268 /nfs/dbraw/zinc/21/02/68/1381210268.db2.gz GCCFHKPNPNYBDR-UHFFFAOYSA-N -1 3 325.368 3.062 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC001161826672 1382522070 /nfs/dbraw/zinc/52/20/70/1382522070.db2.gz JFQDVKPXOWCOON-ZDUSSCGKSA-N -1 3 330.494 3.122 10 30 EGEEHM O=C(c1ccc(-c2cncnc2)cc1F)N([O-])Cc1ccc(F)cc1 ZINC001161842772 1382526809 /nfs/dbraw/zinc/52/68/09/1382526809.db2.gz OKHLSQNUBVMRIQ-UHFFFAOYSA-N -1 3 341.317 3.453 10 30 EGEEHM C=CCC1(C(=O)N(C)C[C@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001337290681 1389295622 /nfs/dbraw/zinc/29/56/22/1389295622.db2.gz PPNCQIRCCSOIGG-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)CC(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001340498554 1390299291 /nfs/dbraw/zinc/29/92/91/1390299291.db2.gz JZSCXJZXDAHIRH-UHFFFAOYSA-N -1 3 344.455 3.011 10 30 EGEEHM C#C[C@@H]1CCCN(c2nnc(-c3cccc(CC(=C)C)c3[O-])n2C)C1 ZINC001341827574 1390534384 /nfs/dbraw/zinc/53/43/84/1390534384.db2.gz NXVKWXINKITTDY-OAHLLOKOSA-N -1 3 336.439 3.156 10 30 EGEEHM CC(=[NH+][N-]c1ccnc2cccnc12)c1ccc(N2CCCC2)cc1[O-] ZINC001349841389 1391374491 /nfs/dbraw/zinc/37/44/91/1391374491.db2.gz WBVGKMCDVSKFQH-UHFFFAOYSA-N -1 3 347.422 3.194 10 30 EGEEHM C=C1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2CC)CC1 ZINC001353727742 1392077354 /nfs/dbraw/zinc/07/73/54/1392077354.db2.gz LRUVNNGIDAXSMW-UHFFFAOYSA-N -1 3 341.440 3.437 10 30 EGEEHM C=CCCCC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@H]12 ZINC001701768398 1415241057 /nfs/dbraw/zinc/24/10/57/1415241057.db2.gz BQFDXCWCWBXOIZ-FXAWDEMLSA-N -1 3 342.439 3.002 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001739024508 1439250957 /nfs/dbraw/zinc/25/09/57/1439250957.db2.gz RVOPZLRONUAPSW-GJZGRUSLSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@H](CC)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001739902467 1439437932 /nfs/dbraw/zinc/43/79/32/1439437932.db2.gz XURDCHDVDKCCDC-OWCLPIDISA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)n1 ZINC000377569471 169042928 /nfs/dbraw/zinc/04/29/28/169042928.db2.gz UDWKZLIPHAOXKU-UHFFFAOYSA-N -1 3 348.337 3.008 10 30 EGEEHM O=C(Nc1n[n-]c(-c2cccs2)n1)c1cccc(-n2ccnc2)c1 ZINC000095398302 218330955 /nfs/dbraw/zinc/33/09/55/218330955.db2.gz WOHSFYPGDIYDEX-UHFFFAOYSA-N -1 3 336.380 3.355 10 30 EGEEHM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000521030254 268005186 /nfs/dbraw/zinc/00/51/86/268005186.db2.gz VQCWQHCDMGEVLU-UHFFFAOYSA-N -1 3 349.843 3.387 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(C#N)CCCCCC2)c(Cl)c1 ZINC000181118048 268197485 /nfs/dbraw/zinc/19/74/85/268197485.db2.gz KNBPGDKXIMNMML-UHFFFAOYSA-N -1 3 337.832 3.107 10 30 EGEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000428230350 268324532 /nfs/dbraw/zinc/32/45/32/268324532.db2.gz RJNFQJGMAHEOMD-MRXNPFEDSA-N -1 3 347.827 3.036 10 30 EGEEHM CC(C)(C)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c(C#N)s1 ZINC000540273759 314372643 /nfs/dbraw/zinc/37/26/43/314372643.db2.gz UKTKXNOGUWYMHT-UHFFFAOYSA-N -1 3 330.369 3.473 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C#N)C2CCCCC2)c(F)c1F ZINC000600668352 460561632 /nfs/dbraw/zinc/56/16/32/460561632.db2.gz OTQFDXQNRARMSQ-LBPRGKRZSA-N -1 3 328.384 3.024 10 30 EGEEHM CN(C)CCOc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000058229895 454173583 /nfs/dbraw/zinc/17/35/83/454173583.db2.gz CWGPGNSAZHVADP-LFYBBSHMSA-N -1 3 339.391 3.221 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOc3ccccc32)c1 ZINC000177997264 454925431 /nfs/dbraw/zinc/92/54/31/454925431.db2.gz ATFXQESQDAUJCA-AWEZNQCLSA-N -1 3 348.811 3.014 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SCC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000629162209 460675288 /nfs/dbraw/zinc/67/52/88/460675288.db2.gz UQPUGECSVUUZGJ-ZJUUUORDSA-N -1 3 349.378 3.200 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C2CC2)n1 ZINC000294020531 455802997 /nfs/dbraw/zinc/80/29/97/455802997.db2.gz WRNPDXSDPFEEKV-UHFFFAOYSA-N -1 3 336.395 3.119 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccc([C@H]3CCOC3)cc2)c1C#N ZINC000297335231 456189460 /nfs/dbraw/zinc/18/94/60/456189460.db2.gz DUEFFJOQEBNGBH-LBPRGKRZSA-N -1 3 328.397 3.471 10 30 EGEEHM CC[C@](C)([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C)cs1 ZINC000352863088 456371550 /nfs/dbraw/zinc/37/15/50/456371550.db2.gz SNIHUQRZIQXLGF-AWEZNQCLSA-N -1 3 341.502 3.080 10 30 EGEEHM Cc1ccc2[nH]c(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc2c1 ZINC000344526863 456834635 /nfs/dbraw/zinc/83/46/35/456834635.db2.gz OXVBXJZSVKNNIE-UHFFFAOYSA-N -1 3 349.394 3.032 10 30 EGEEHM Cc1ccc2nc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)[nH]c2c1 ZINC000344526863 456834639 /nfs/dbraw/zinc/83/46/39/456834639.db2.gz OXVBXJZSVKNNIE-UHFFFAOYSA-N -1 3 349.394 3.032 10 30 EGEEHM CCc1c(C)nn(-c2cccc(C([O-])=C(C#N)c3ccncn3)c2)c1C ZINC000354481186 457250554 /nfs/dbraw/zinc/25/05/54/457250554.db2.gz XZPWLVPASUTIMQ-GOSISDBHSA-N -1 3 345.406 3.332 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3CCCC(C)(C)[C@H]3C#N)c([O-])c2O1 ZINC000408415670 457569723 /nfs/dbraw/zinc/56/97/23/457569723.db2.gz OYYHPLNRPSKSFI-CQSZACIVSA-N -1 3 328.412 3.260 10 30 EGEEHM Cc1c(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)sc2nccn12 ZINC000356419995 457617197 /nfs/dbraw/zinc/61/71/97/457617197.db2.gz NWZMVPATDPTZBA-NSHDSACASA-N -1 3 335.392 3.379 10 30 EGEEHM COc1cc(C)c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1C ZINC000435730945 458192501 /nfs/dbraw/zinc/19/25/01/458192501.db2.gz HKODLOUNHGIFCE-UHFFFAOYSA-N -1 3 330.409 3.293 10 30 EGEEHM Cn1c(C(C#N)=C([O-])c2cccc3nccnc32)nc2ccccc21 ZINC000516514364 458818892 /nfs/dbraw/zinc/81/88/92/458818892.db2.gz REYUITMVISYKEU-CYBMUJFWSA-N -1 3 327.347 3.007 10 30 EGEEHM N#CCC1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CC1 ZINC000555861841 458915481 /nfs/dbraw/zinc/91/54/81/458915481.db2.gz BUMNRQHDNHUQPC-UHFFFAOYSA-N -1 3 334.375 3.047 10 30 EGEEHM N#Cc1ccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000582608983 459395013 /nfs/dbraw/zinc/39/50/13/459395013.db2.gz LYPSUIPXNRCYSK-UHFFFAOYSA-N -1 3 342.380 3.273 10 30 EGEEHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3ccc([N+](=O)[O-])cn3)sc2C1 ZINC000562305744 459534673 /nfs/dbraw/zinc/53/46/73/459534673.db2.gz VCSYFDPZJGAVSB-SECBINFHSA-N -1 3 342.380 3.300 10 30 EGEEHM CC(C)Cn1ncc([N-]S(=O)(=O)CCC(C)(C)C#N)c1C(C)C ZINC000584783598 459802134 /nfs/dbraw/zinc/80/21/34/459802134.db2.gz DYFINWMBTOXCFY-UHFFFAOYSA-N -1 3 340.493 3.344 10 30 EGEEHM Cc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000598252415 459841622 /nfs/dbraw/zinc/84/16/22/459841622.db2.gz SKZNPFOQAYULRZ-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-]Cc2c(Cl)oc3ccccc32)CCC1 ZINC000599415516 460249783 /nfs/dbraw/zinc/24/97/83/460249783.db2.gz KUBZAKTVFBPAPB-UHFFFAOYSA-N -1 3 338.816 3.199 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000599501646 460262970 /nfs/dbraw/zinc/26/29/70/460262970.db2.gz SYMIMBNEKBWPAY-UHFFFAOYSA-N -1 3 338.376 3.021 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CCC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870693262 1296023899 /nfs/dbraw/zinc/02/38/99/1296023899.db2.gz ABVHMCXXWYPUSO-UHFFFAOYSA-N -1 3 340.427 3.070 10 30 EGEEHM C=CCCC[C@@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000880390888 1301101791 /nfs/dbraw/zinc/10/17/91/1301101791.db2.gz XUPIIYHRGMVKAH-QGZVFWFLSA-N -1 3 339.439 3.442 10 30 EGEEHM C=CC[C@H]1CCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000890559153 1304816606 /nfs/dbraw/zinc/81/66/06/1304816606.db2.gz YSYRVTZMPGOHGO-NSHDSACASA-N -1 3 347.212 3.081 10 30 EGEEHM C=CCCn1cc(COC(=O)c2cccc3[n-]c(C(F)F)nc32)nn1 ZINC000924085408 1322894973 /nfs/dbraw/zinc/89/49/73/1322894973.db2.gz DOHBZJXDCSPQSH-UHFFFAOYSA-N -1 3 347.325 3.025 10 30 EGEEHM CC(=O)c1cc(F)cc(CN2CCc3c(CC#N)cccc3C2)c1[O-] ZINC000860106377 1329148006 /nfs/dbraw/zinc/14/80/06/1329148006.db2.gz HDOXIVCFYAIXLQ-UHFFFAOYSA-N -1 3 338.382 3.358 10 30 EGEEHM CC[C@@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(OC)c1OC ZINC000864347113 1329609186 /nfs/dbraw/zinc/60/91/86/1329609186.db2.gz KNTTWVSLIAVEBN-LIQPLZLLSA-N -1 3 344.411 3.175 10 30 EGEEHM O=C(CC(F)(F)C(F)(F)F)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000869207788 1330437189 /nfs/dbraw/zinc/43/71/89/1330437189.db2.gz KOGGVHWKVZQFQG-RQJHMYQMSA-N -1 3 343.214 3.190 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001288010175 1381485373 /nfs/dbraw/zinc/48/53/73/1381485373.db2.gz ABAJTHLEEJHOEU-GDBMZVCRSA-N -1 3 344.455 3.104 10 30 EGEEHM COc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1OC ZINC001161808052 1382513473 /nfs/dbraw/zinc/51/34/73/1382513473.db2.gz VEIHHECPCCHZSF-UHFFFAOYSA-N -1 3 343.423 3.487 10 30 EGEEHM CCCCCCN([O-])C(=O)Cc1c(C)nc2c(c(C)nn2C)c1C ZINC001161826635 1382521637 /nfs/dbraw/zinc/52/16/37/1382521637.db2.gz ITJCUUBGKQIKTA-UHFFFAOYSA-N -1 3 332.448 3.234 10 30 EGEEHM C=CC(C)(C)CC(=O)N1CCC[C@@H](N(C)C(=O)c2ccccc2[O-])C1 ZINC001295789000 1382820408 /nfs/dbraw/zinc/82/04/08/1382820408.db2.gz YZFKUCRBPZBYNQ-OAHLLOKOSA-N -1 3 344.455 3.058 10 30 EGEEHM CCCCCCN([O-])C(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC001306896799 1383917123 /nfs/dbraw/zinc/91/71/23/1383917123.db2.gz MIQKAFIECWDZJK-UHFFFAOYSA-N -1 3 348.472 3.340 10 30 EGEEHM C=C(C)CN1CCc2ccccc2[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001315842716 1384453651 /nfs/dbraw/zinc/45/36/51/1384453651.db2.gz JYQUCVQABJOVRJ-IBGZPJMESA-N -1 3 336.435 3.298 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333524547 1390328172 /nfs/dbraw/zinc/32/81/72/1390328172.db2.gz YHXLCGIZFTUDKZ-JKSUJKDBSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001340733792 1390355692 /nfs/dbraw/zinc/35/56/92/1390355692.db2.gz TXCZGQYWCYKYAD-NSHDSACASA-N -1 3 343.822 3.100 10 30 EGEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001340733792 1390355695 /nfs/dbraw/zinc/35/56/95/1390355695.db2.gz TXCZGQYWCYKYAD-NSHDSACASA-N -1 3 343.822 3.100 10 30 EGEEHM C=C[C@@H](C)O[N-]C(=O)C1(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001347717969 1391114831 /nfs/dbraw/zinc/11/48/31/1391114831.db2.gz UWPYMSBIWYDJDD-CYBMUJFWSA-N -1 3 338.448 3.036 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688228891 1396810160 /nfs/dbraw/zinc/81/01/60/1396810160.db2.gz ILKVNLGDZHFPSQ-JKSUJKDBSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C1CCC(C(=O)NC[C@@H](C)N(CC)C(=O)c2ccccc2[O-])CC1 ZINC001718959858 1422249958 /nfs/dbraw/zinc/24/99/58/1422249958.db2.gz OHDFWPAKCOYRLE-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001721514180 1423428487 /nfs/dbraw/zinc/42/84/87/1423428487.db2.gz OGQGEGVMTCGAID-IBGZPJMESA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCC1(C(=O)N(C)CCN(C)C(=O)c2ccccc2[O-])CCCC1 ZINC001721695129 1423717899 /nfs/dbraw/zinc/71/78/99/1423717899.db2.gz OXUZWFGUWSFTLU-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM C=CCC(C)(C)C(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001734730899 1438246493 /nfs/dbraw/zinc/24/64/93/1438246493.db2.gz HHFLPYYXNUBXPE-UHFFFAOYSA-N -1 3 346.471 3.209 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001735378091 1438471318 /nfs/dbraw/zinc/47/13/18/1438471318.db2.gz FVCDYJMPFVOTCY-GJZGRUSLSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC1(C(=O)NC[C@H](NC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001738340579 1439105859 /nfs/dbraw/zinc/10/58/59/1439105859.db2.gz DFGQNICOXVGWAK-INIZCTEOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)C(=O)NCC[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001759478816 1441294105 /nfs/dbraw/zinc/29/41/05/1441294105.db2.gz JYEZUXKUUXZCEO-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(F)(F)F ZINC000572544144 317355054 /nfs/dbraw/zinc/35/50/54/317355054.db2.gz FIVWJRZTTJNIDA-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM CCc1nnc(Sc2nnc(-c3cccs3)[n-]2)c(C#N)c1CC ZINC000095411902 218348781 /nfs/dbraw/zinc/34/87/81/218348781.db2.gz UQPRSWJPVDQXBQ-UHFFFAOYSA-N -1 3 342.453 3.471 10 30 EGEEHM CCc1nnc(Sc2nc(-c3cccs3)n[n-]2)c(C#N)c1CC ZINC000095411902 218348782 /nfs/dbraw/zinc/34/87/82/218348782.db2.gz UQPRSWJPVDQXBQ-UHFFFAOYSA-N -1 3 342.453 3.471 10 30 EGEEHM CCc1nnc(Sc2n[n-]c(-c3cccs3)n2)c(C#N)c1CC ZINC000095411902 218348784 /nfs/dbraw/zinc/34/87/84/218348784.db2.gz UQPRSWJPVDQXBQ-UHFFFAOYSA-N -1 3 342.453 3.471 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000531386779 268277925 /nfs/dbraw/zinc/27/79/25/268277925.db2.gz RFCNVBNVXQLFHA-UHFFFAOYSA-N -1 3 331.169 3.208 10 30 EGEEHM CC(C)(C)C1CC([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1 ZINC000549901084 315109599 /nfs/dbraw/zinc/10/95/99/315109599.db2.gz PAHSFBLUWYLGPL-UHFFFAOYSA-N -1 3 326.849 3.315 10 30 EGEEHM CC(C)CCSc1nnc(NN=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000009695121 453259498 /nfs/dbraw/zinc/25/94/98/453259498.db2.gz JZBKJXLQQYRMEG-OQLLNIDSSA-N -1 3 334.405 3.297 10 30 EGEEHM CC(C)CCSc1nnc([N-][NH+]=Cc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000009695121 453259500 /nfs/dbraw/zinc/25/95/00/453259500.db2.gz JZBKJXLQQYRMEG-OQLLNIDSSA-N -1 3 334.405 3.297 10 30 EGEEHM N#CC(=C([O-])c1cccc(Nc2cnccn2)c1)c1ccc(F)cn1 ZINC000097034335 454391326 /nfs/dbraw/zinc/39/13/26/454391326.db2.gz FLWNRVVQCQUOCP-OAHLLOKOSA-N -1 3 333.326 3.244 10 30 EGEEHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1nc2ccccc2[nH]1 ZINC000107407987 454755774 /nfs/dbraw/zinc/75/57/74/454755774.db2.gz POPZAMWOFXKULI-CYBMUJFWSA-N -1 3 329.319 3.103 10 30 EGEEHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)cn1 ZINC000170605045 454940724 /nfs/dbraw/zinc/94/07/24/454940724.db2.gz SIZUFVZRZLZNGW-AWEZNQCLSA-N -1 3 330.775 3.079 10 30 EGEEHM CC(C)CN(c1cccc([O-])c1)S(=O)(=O)c1cccc(C#N)c1 ZINC000151888485 455044652 /nfs/dbraw/zinc/04/46/52/455044652.db2.gz AYPRXWHUJPNWBO-UHFFFAOYSA-N -1 3 330.409 3.115 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCCC2CC2)c(C(F)(F)F)c1 ZINC000128983536 455093522 /nfs/dbraw/zinc/09/35/22/455093522.db2.gz JCHMDBCSAIAVHN-UHFFFAOYSA-N -1 3 332.347 3.046 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C(C)C)C3)n1 ZINC000297934051 456328667 /nfs/dbraw/zinc/32/86/67/456328667.db2.gz ZGADPALXXXTFPD-NSHDSACASA-N -1 3 343.456 3.244 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000282435973 456512877 /nfs/dbraw/zinc/51/28/77/456512877.db2.gz GJANWJKXCSLSQE-UHFFFAOYSA-N -1 3 330.812 3.087 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCC1)c1ncc(-c2ccccc2)o1 ZINC000349624904 456998528 /nfs/dbraw/zinc/99/85/28/456998528.db2.gz GSRKRKFIAXXUDW-ZDUSSCGKSA-N -1 3 345.424 3.016 10 30 EGEEHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@H](O)C(F)(F)F ZINC000331231704 457149597 /nfs/dbraw/zinc/14/95/97/457149597.db2.gz INRQTUCLFFKBKY-GWCFXTLKSA-N -1 3 347.333 3.112 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc([O-])c(C)c1 ZINC000354409437 457203601 /nfs/dbraw/zinc/20/36/01/457203601.db2.gz SNHXGJOBCUTRNW-UHFFFAOYSA-N -1 3 326.352 3.437 10 30 EGEEHM CC(C)n1cc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)nn1 ZINC000340074790 457329073 /nfs/dbraw/zinc/32/90/73/457329073.db2.gz ZRSSRVJXPHBRIO-GFCCVEGCSA-N -1 3 329.429 3.363 10 30 EGEEHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nccc4ccccc43)cc12 ZINC000361542965 457784316 /nfs/dbraw/zinc/78/43/16/457784316.db2.gz JCRYXDUGCIDGAZ-QGZVFWFLSA-N -1 3 341.374 3.315 10 30 EGEEHM N#CCCCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426798180 457903811 /nfs/dbraw/zinc/90/38/11/457903811.db2.gz IKGHINBQMRQRCX-GOSISDBHSA-N -1 3 342.370 3.424 10 30 EGEEHM N#C[C@@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000436755914 458375993 /nfs/dbraw/zinc/37/59/93/458375993.db2.gz BCWGLLLMSAPCTG-CYBMUJFWSA-N -1 3 331.169 3.149 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)c[n-]1 ZINC000452675192 458506317 /nfs/dbraw/zinc/50/63/17/458506317.db2.gz GCPNISSFJPJGSM-UHFFFAOYSA-N -1 3 341.367 3.103 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)s1 ZINC000373822869 458615620 /nfs/dbraw/zinc/61/56/20/458615620.db2.gz MCMVWYXPGMBRSX-INIZCTEOSA-N -1 3 344.417 3.281 10 30 EGEEHM CC[C@@H]1CC[C@H](C)N(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000456805867 458786919 /nfs/dbraw/zinc/78/69/19/458786919.db2.gz XFZPNSNNMCWCEZ-SWLSCSKDSA-N -1 3 329.444 3.245 10 30 EGEEHM C[C@@]1(CNC(=O)c2ccc(C#N)c([O-])c2)CCCN1Cc1ccccc1 ZINC000442979927 459070355 /nfs/dbraw/zinc/07/03/55/459070355.db2.gz VCNFYFNFTSTJSL-NRFANRHFSA-N -1 3 349.434 3.048 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)n1 ZINC000443075491 459086244 /nfs/dbraw/zinc/08/62/44/459086244.db2.gz ZMABVACZHKMBPH-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM C=CCC1(C(=O)Nc2ccc(Br)cc2[O-])CCOCC1 ZINC000571432429 459568801 /nfs/dbraw/zinc/56/88/01/459568801.db2.gz CNYHQRBBTBRREM-UHFFFAOYSA-N -1 3 340.217 3.466 10 30 EGEEHM C=CCCSCCNC(=O)Cc1ccc(Br)cc1[O-] ZINC000597966984 460127806 /nfs/dbraw/zinc/12/78/06/460127806.db2.gz IPFSPADYWIKQQZ-UHFFFAOYSA-N -1 3 344.274 3.123 10 30 EGEEHM C=CCOCCC[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl ZINC000657148301 461973515 /nfs/dbraw/zinc/97/35/15/461973515.db2.gz WLOJRWHHRNJKMY-UHFFFAOYSA-N -1 3 338.256 3.173 10 30 EGEEHM C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000662088133 462522427 /nfs/dbraw/zinc/52/24/27/462522427.db2.gz XNEKOQSWEJGXME-IYBDPMFKSA-N -1 3 347.422 3.204 10 30 EGEEHM C[C@@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(F)c1 ZINC000328594183 524308551 /nfs/dbraw/zinc/30/85/51/524308551.db2.gz XGPQAUPMWFCQAV-SNVBAGLBSA-N -1 3 343.358 3.113 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)Cc2noc3c2CCCC3)c1 ZINC000914332108 1319298197 /nfs/dbraw/zinc/29/81/97/1319298197.db2.gz YKXLZACHKYMXGK-UHFFFAOYSA-N -1 3 348.424 3.060 10 30 EGEEHM C[C@H](NCc1cccnc1OCC(F)F)c1cccc(C#N)c1[O-] ZINC000866313152 1330094835 /nfs/dbraw/zinc/09/48/35/1330094835.db2.gz XCMMQHYVXIBKTK-NSHDSACASA-N -1 3 333.338 3.154 10 30 EGEEHM Cc1cc(C)n2ncc(C(=O)N([O-])CCCCc3ccccc3)c2n1 ZINC001184293426 1387423654 /nfs/dbraw/zinc/42/36/54/1387423654.db2.gz SAPYUEZEHZPBMK-UHFFFAOYSA-N -1 3 338.411 3.200 10 30 EGEEHM O=C(c1ccn(-c2ccc(F)cc2F)n1)N([O-])Cc1ccc(F)cc1 ZINC001184348135 1387436105 /nfs/dbraw/zinc/43/61/05/1387436105.db2.gz KPRFVZPBVFDPIH-UHFFFAOYSA-N -1 3 347.296 3.321 10 30 EGEEHM C=C1CCC(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC001213652634 1372941002 /nfs/dbraw/zinc/94/10/02/1372941002.db2.gz ZXQVFDGRZWQYTD-UHFFFAOYSA-N -1 3 342.392 3.067 10 30 EGEEHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1ccc(C#N)c(Cl)n1 ZINC001128409921 1373263541 /nfs/dbraw/zinc/26/35/41/1373263541.db2.gz OPDGLKBBEIYMSK-UHFFFAOYSA-N -1 3 334.694 3.215 10 30 EGEEHM Cc1c(C#N)c([N-]C(=O)c2cc(-c3cccc(Cl)c3)no2)nn1C ZINC001130388424 1373514693 /nfs/dbraw/zinc/51/46/93/1373514693.db2.gz KAHXZSCOTRLDIG-UHFFFAOYSA-N -1 3 341.758 3.161 10 30 EGEEHM C#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001143136349 1378545021 /nfs/dbraw/zinc/54/50/21/1378545021.db2.gz OYFPHQDFHNVOKG-MRXNPFEDSA-N -1 3 336.778 3.286 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001288010179 1381485459 /nfs/dbraw/zinc/48/54/59/1381485459.db2.gz ABAJTHLEEJHOEU-GOEBONIOSA-N -1 3 344.455 3.104 10 30 EGEEHM O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N([O-])CCCCc1ccccc1 ZINC001161807794 1382512990 /nfs/dbraw/zinc/51/29/90/1382512990.db2.gz OFMVPGONRGJLMX-QGZVFWFLSA-N -1 3 344.455 3.018 10 30 EGEEHM O=C(c1cccc(-c2nc[nH]n2)c1)N([O-])Cc1ccccc1Cl ZINC001306894504 1383915742 /nfs/dbraw/zinc/91/57/42/1383915742.db2.gz NJMKXRLYKSWERN-UHFFFAOYSA-N -1 3 328.759 3.157 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001306897257 1383916538 /nfs/dbraw/zinc/91/65/38/1383916538.db2.gz GDABCMZDXHHYGX-CQSZACIVSA-N -1 3 338.835 3.210 10 30 EGEEHM O=C(c1ccc2c(c1)OC(F)(F)O2)N([O-])Cc1ccc(F)cc1 ZINC001306898358 1383916985 /nfs/dbraw/zinc/91/69/85/1383916985.db2.gz AKVKOTZJRVSZRU-UHFFFAOYSA-N -1 3 325.242 3.179 10 30 EGEEHM C=CCSCC[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001309390003 1384180057 /nfs/dbraw/zinc/18/00/57/1384180057.db2.gz LRVLWNHGIIRPKL-UHFFFAOYSA-N -1 3 340.495 3.008 10 30 EGEEHM C#C[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(C)(C)C ZINC001309549202 1384186185 /nfs/dbraw/zinc/18/61/85/1384186185.db2.gz LCJAJSANLYCKKL-CQSZACIVSA-N -1 3 348.493 3.445 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C/C=C\C)C1 ZINC001339014833 1389859085 /nfs/dbraw/zinc/85/90/85/1389859085.db2.gz MEHSZXBTSDVIRM-DXTPNHAXSA-N -1 3 329.404 3.007 10 30 EGEEHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)n1 ZINC001352477597 1391801791 /nfs/dbraw/zinc/80/17/91/1391801791.db2.gz OZXLXUDISNOYEF-UHFFFAOYSA-N -1 3 342.380 3.363 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001702434919 1415574613 /nfs/dbraw/zinc/57/46/13/1415574613.db2.gz FQGHWGBOKZGBTB-USXIJHARSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001703675809 1416016778 /nfs/dbraw/zinc/01/67/78/1416016778.db2.gz FZFHZHYIJGBBPM-NVXWUHKLSA-N -1 3 344.455 3.248 10 30 EGEEHM C=CCC(C)(C)C(=O)NCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001703754677 1416058119 /nfs/dbraw/zinc/05/81/19/1416058119.db2.gz RKHWGVXQKQZJKP-UHFFFAOYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001704790652 1416751184 /nfs/dbraw/zinc/75/11/84/1416751184.db2.gz IPTGXUMOWLWHHY-CVEARBPZSA-N -1 3 346.471 3.255 10 30 EGEEHM CC(C)c1ccc([C@H](CNC(=O)c2ccccc2[O-])NCC#N)cc1 ZINC001713698186 1418454162 /nfs/dbraw/zinc/45/41/62/1418454162.db2.gz MRWDCUWWKAXZSP-SFHVURJKSA-N -1 3 337.423 3.100 10 30 EGEEHM C=C[C@H](CC)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC001738177296 1439023692 /nfs/dbraw/zinc/02/36/92/1439023692.db2.gz LEKCZGDPONBCCU-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001738266888 1439065146 /nfs/dbraw/zinc/06/51/46/1439065146.db2.gz UWZATHKJIIYAGO-OAHLLOKOSA-N -1 3 346.471 3.255 10 30 EGEEHM CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccccc2[O-])cc1 ZINC000100040847 219089245 /nfs/dbraw/zinc/08/92/45/219089245.db2.gz KQGNTABONCUROV-QGOAFFKASA-N -1 3 332.425 3.173 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000103056352 219251554 /nfs/dbraw/zinc/25/15/54/219251554.db2.gz GPDBKKOADQWVPJ-YJBOKZPZSA-N -1 3 343.471 3.127 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1ccc([N+](=O)[O-])s1)CCCC2 ZINC000121856244 283117900 /nfs/dbraw/zinc/11/79/00/283117900.db2.gz UGJCWSIQCFXKLI-UHFFFAOYSA-N -1 3 328.353 3.054 10 30 EGEEHM CCc1ccc(C)cc1OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000095451880 218396746 /nfs/dbraw/zinc/39/67/46/218396746.db2.gz UGFKOAPGNKCWGE-UHFFFAOYSA-N -1 3 338.407 3.272 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c1 ZINC000316034094 154158382 /nfs/dbraw/zinc/15/83/82/154158382.db2.gz BBBWROIKKFBZJH-ZFWWWQNUSA-N -1 3 332.812 3.046 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000131192334 162394723 /nfs/dbraw/zinc/39/47/23/162394723.db2.gz PHFJMOOAMXDFAW-SNVBAGLBSA-N -1 3 338.791 3.390 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCCCCC1 ZINC000452801785 270053376 /nfs/dbraw/zinc/05/33/76/270053376.db2.gz VBCDSWYKYGAIFE-UHFFFAOYSA-N -1 3 329.444 3.295 10 30 EGEEHM CCn1c(SCc2ccc(C#N)cc2C(F)(F)F)n[n-]c1=O ZINC000594880361 459164986 /nfs/dbraw/zinc/16/49/86/459164986.db2.gz IWCCLBVWWGAASO-UHFFFAOYSA-N -1 3 328.319 3.186 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCC[C@@H](C)C2)c(F)c1F ZINC000600668646 460561460 /nfs/dbraw/zinc/56/14/60/460561460.db2.gz RYKPEYFPOZZVQM-BMIGLBTASA-N -1 3 328.384 3.024 10 30 EGEEHM Cn1c(C(C#N)=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000012603781 453382088 /nfs/dbraw/zinc/38/20/88/453382088.db2.gz WILSGPDRFZKBCJ-KUCQQTCKSA-N -1 3 346.346 3.371 10 30 EGEEHM NC(=O)CCC/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1[O-] ZINC000013519914 453468553 /nfs/dbraw/zinc/46/85/53/453468553.db2.gz IBALRBWGSVJPAP-HEHNFIMWSA-N -1 3 334.778 3.288 10 30 in-man EGEEHM C[C@@H]([N-]C(=O)[C@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000025425915 453771943 /nfs/dbraw/zinc/77/19/43/453771943.db2.gz WGNUDVQAHOGFJX-XCBNKYQSSA-N -1 3 332.219 3.201 10 30 EGEEHM CCc1cc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)oc1CC ZINC000131518965 454260125 /nfs/dbraw/zinc/26/01/25/454260125.db2.gz JGHYVXAZPGXTGM-UHFFFAOYSA-N -1 3 349.394 3.168 10 30 EGEEHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccccn1 ZINC000101495452 454471092 /nfs/dbraw/zinc/47/10/92/454471092.db2.gz JXSMKRHQJPCNJI-LBPRGKRZSA-N -1 3 334.162 3.350 10 30 EGEEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000175624548 455473106 /nfs/dbraw/zinc/47/31/06/455473106.db2.gz OTHFXKHXLHNPEN-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM C=CCCCN(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126234336 454879549 /nfs/dbraw/zinc/87/95/49/454879549.db2.gz RTADMJLQQJVBSP-UHFFFAOYSA-N -1 3 327.222 3.262 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172300530 455143770 /nfs/dbraw/zinc/14/37/70/455143770.db2.gz MSBZVMKRDOZVMV-UHFFFAOYSA-N -1 3 343.471 3.081 10 30 EGEEHM Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000264022773 455185056 /nfs/dbraw/zinc/18/50/56/455185056.db2.gz IKGACHJKJDFBMC-UHFFFAOYSA-N -1 3 336.391 3.256 10 30 EGEEHM COc1nnc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)[n-]1 ZINC000182999284 455207732 /nfs/dbraw/zinc/20/77/32/455207732.db2.gz NPBHJVQLVGAHKX-UHFFFAOYSA-N -1 3 349.350 3.038 10 30 EGEEHM COc1nc(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n[n-]1 ZINC000182999284 455207736 /nfs/dbraw/zinc/20/77/36/455207736.db2.gz NPBHJVQLVGAHKX-UHFFFAOYSA-N -1 3 349.350 3.038 10 30 EGEEHM COc1n[n-]c(NC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)n1 ZINC000182999284 455207741 /nfs/dbraw/zinc/20/77/41/455207741.db2.gz NPBHJVQLVGAHKX-UHFFFAOYSA-N -1 3 349.350 3.038 10 30 EGEEHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C#N)CC4(CC4)C3)c2)n1 ZINC000601000788 460671350 /nfs/dbraw/zinc/67/13/50/460671350.db2.gz YJALQCFDRYQJJM-UHFFFAOYSA-N -1 3 348.406 3.434 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccccc2C#Cc2ccccc2)c[n-]1 ZINC000341762166 456932102 /nfs/dbraw/zinc/93/21/02/456932102.db2.gz DWBVIHKOYPPGFZ-UHFFFAOYSA-N -1 3 344.370 3.453 10 30 EGEEHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000357561214 457596150 /nfs/dbraw/zinc/59/61/50/457596150.db2.gz USMALCPJHUZWCS-ZDUSSCGKSA-N -1 3 333.240 3.105 10 30 EGEEHM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361530576 457772904 /nfs/dbraw/zinc/77/29/04/457772904.db2.gz ZBOSCLAZUHRIMO-GOSISDBHSA-N -1 3 343.386 3.427 10 30 EGEEHM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443070474 459083968 /nfs/dbraw/zinc/08/39/68/459083968.db2.gz QTHGXYKRIHSSRU-APPDUMDISA-N -1 3 346.839 3.423 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000592108140 459525601 /nfs/dbraw/zinc/52/56/01/459525601.db2.gz LWXQXHBUCZOPPK-IJLUTSLNSA-N -1 3 344.358 3.044 10 30 EGEEHM Cn1c2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cc2[nH]c1=O ZINC000572091872 459576476 /nfs/dbraw/zinc/57/64/76/459576476.db2.gz WPLLSZHWHTZSHG-HNNXBMFYSA-N -1 3 342.358 3.317 10 30 EGEEHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593276891 459827187 /nfs/dbraw/zinc/82/71/87/459827187.db2.gz ZHJSIMKYKUJODS-VIFPVBQESA-N -1 3 341.285 3.413 10 30 EGEEHM CSc1nc([O-])c(C(=O)Nc2cccc3c2ccn3C)cc1C#N ZINC000608891332 459893321 /nfs/dbraw/zinc/89/33/21/459893321.db2.gz JOGMYJBAVXZZMI-UHFFFAOYSA-N -1 3 338.392 3.125 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](CC1CC1)c1ccccc1 ZINC000593556181 459922241 /nfs/dbraw/zinc/92/22/41/459922241.db2.gz LDFHFVXFCZVRFD-AWEZNQCLSA-N -1 3 332.450 3.439 10 30 EGEEHM N#CC1(c2ccc(-c3nc(-c4ccc5n[n-]nc5c4)no3)cc2)CC1 ZINC000589820947 460142937 /nfs/dbraw/zinc/14/29/37/460142937.db2.gz IJONNMVDFNZOLL-UHFFFAOYSA-N -1 3 328.335 3.230 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000599360739 460238989 /nfs/dbraw/zinc/23/89/89/460238989.db2.gz PWWYVCQNVABKAE-UHFFFAOYSA-N -1 3 345.848 3.007 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)s1 ZINC000619547954 460380941 /nfs/dbraw/zinc/38/09/41/460380941.db2.gz QRUUEOLOAPKUBH-HNNXBMFYSA-N -1 3 332.450 3.439 10 30 EGEEHM Cc1cc(Br)c([N-]S(=O)(=O)[C@@H](C)C#N)cc1Cl ZINC000131824874 1293701725 /nfs/dbraw/zinc/70/17/25/1293701725.db2.gz VNXAURSLFUWMMJ-ZETCQYMHSA-N -1 3 337.626 3.065 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000134115528 1293763219 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EGEEHM CCc1nnc(NCCc2c(F)cc([O-])cc2F)c(C#N)c1CC ZINC001187708121 1388147902 /nfs/dbraw/zinc/14/79/02/1388147902.db2.gz BCUNBUFHQMMXIL-UHFFFAOYSA-N -1 3 332.354 3.111 10 30 EGEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC001213990544 1372992035 /nfs/dbraw/zinc/99/20/35/1372992035.db2.gz OISGBWLHQRNLAH-UHFFFAOYSA-N -1 3 338.654 3.345 10 30 EGEEHM CC1(C)CC[C@H](C(=O)N[C@H]2CCCN([O-])C2=O)[C@@H](c2ccccc2)C1 ZINC001141463111 1378329369 /nfs/dbraw/zinc/32/93/69/1378329369.db2.gz FDKFSOYFFOSHQW-BBWFWOEESA-N -1 3 344.455 3.093 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001280794234 1378378937 /nfs/dbraw/zinc/37/89/37/1378378937.db2.gz PGJIBJKTCCZCIH-AUUYWEPGSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCC1(C(=O)NCCN(CCC)C(=O)c2ccccc2[O-])CCC1 ZINC001284719239 1380137977 /nfs/dbraw/zinc/13/79/77/1380137977.db2.gz KTVDEDACFDKVTA-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C(C)CCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001286028672 1380706346 /nfs/dbraw/zinc/70/63/46/1380706346.db2.gz RDGIOURLBFXBDW-UHFFFAOYSA-N -1 3 344.455 3.297 10 30 EGEEHM O=C(c1cccc(N2CCOC2=O)c1)N([O-])Cc1ccccc1Cl ZINC001306894457 1383915798 /nfs/dbraw/zinc/91/57/98/1383915798.db2.gz MCIPCRPXUAXVBL-UHFFFAOYSA-N -1 3 346.770 3.328 10 30 EGEEHM C#CCN(CC(=O)OC(C)(C)C)Cc1ccc2ccccc2c1[O-] ZINC001308853017 1384154959 /nfs/dbraw/zinc/15/49/59/1384154959.db2.gz ZKZVKQLTNBHSMH-UHFFFAOYSA-N -1 3 325.408 3.322 10 30 EGEEHM CC(C)(C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)c1cnc[nH]1 ZINC001332493236 1390128367 /nfs/dbraw/zinc/12/83/67/1390128367.db2.gz PIEWEKUYVIMWHJ-UHFFFAOYSA-N -1 3 328.199 3.412 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C2CCC2)C1 ZINC001342186471 1390583018 /nfs/dbraw/zinc/58/30/18/1390583018.db2.gz BLQFOOGOPKCMQP-CQSZACIVSA-N -1 3 343.431 3.231 10 30 EGEEHM C=CC1(CC(=O)N(C)CCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001721062026 1423054197 /nfs/dbraw/zinc/05/41/97/1423054197.db2.gz GTIZXZYNRKTLQN-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CCCCC(=O)NC[C@H]1[C@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001759489061 1441296443 /nfs/dbraw/zinc/29/64/43/1441296443.db2.gz WMFIJJLBMMMZJP-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM CCOc1ccccc1CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744278 213116261 /nfs/dbraw/zinc/11/62/61/213116261.db2.gz KZZMGODVYHPJJE-UHFFFAOYSA-N -1 3 328.294 3.443 10 30 EGEEHM CCOc1ccccc1CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744278 213116264 /nfs/dbraw/zinc/11/62/64/213116264.db2.gz KZZMGODVYHPJJE-UHFFFAOYSA-N -1 3 328.294 3.443 10 30 EGEEHM CCCNc1ccc(C#N)cc1NC(=O)c1cccc(OC)c1[O-] ZINC000175788230 265137746 /nfs/dbraw/zinc/13/77/46/265137746.db2.gz IERVWQIQCALZDJ-UHFFFAOYSA-N -1 3 325.368 3.347 10 30 EGEEHM COc1ccc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c([O-])c1 ZINC000443568942 270052520 /nfs/dbraw/zinc/05/25/20/270052520.db2.gz SUKUGKJARHVXII-GOSISDBHSA-N -1 3 340.379 3.315 10 30 EGEEHM CNc1ccc(C#N)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436672317 267354402 /nfs/dbraw/zinc/35/44/02/267354402.db2.gz BTHZZVDOOMZOKT-UHFFFAOYSA-N -1 3 337.379 3.271 10 30 EGEEHM N#Cc1cscc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000343167992 456447746 /nfs/dbraw/zinc/44/77/46/456447746.db2.gz SIGHTGDEJJISSC-UHFFFAOYSA-N -1 3 337.198 3.018 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC2(CC2)CC1 ZINC000600769029 460596403 /nfs/dbraw/zinc/59/64/03/460596403.db2.gz JRYJMQVHJBGUDH-UHFFFAOYSA-N -1 3 327.428 3.001 10 30 EGEEHM N#Cc1ccc(CN[C@@H](C(=O)[O-])c2cccc(Br)c2)cc1 ZINC000617345461 460821815 /nfs/dbraw/zinc/82/18/15/460821815.db2.gz UBILKBDKYYJCFM-OAHLLOKOSA-N -1 3 345.196 3.236 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000629162208 460675977 /nfs/dbraw/zinc/67/59/77/460675977.db2.gz UQPUGECSVUUZGJ-VHSXEESVSA-N -1 3 349.378 3.200 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@H](C)CC3)n1 ZINC000297863530 456313315 /nfs/dbraw/zinc/31/33/15/456313315.db2.gz OMAMLDAXORLBGR-ZJUUUORDSA-N -1 3 329.429 3.169 10 30 EGEEHM CCC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000358892120 457025986 /nfs/dbraw/zinc/02/59/86/457025986.db2.gz YULZDZYLEZBNOE-UHFFFAOYSA-N -1 3 332.347 3.188 10 30 EGEEHM N#C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccc(Cl)cc1 ZINC000354378189 457187274 /nfs/dbraw/zinc/18/72/74/457187274.db2.gz BZPUQDMXDWWDKK-MRXNPFEDSA-N -1 3 337.766 3.176 10 30 EGEEHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cn(C)c4ccc(F)cc34)nc1-2 ZINC000361722113 457828309 /nfs/dbraw/zinc/82/83/09/457828309.db2.gz XZABFCKTPZOFAA-CYBMUJFWSA-N -1 3 347.353 3.387 10 30 EGEEHM CCc1ncc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000431642912 458600686 /nfs/dbraw/zinc/60/06/86/458600686.db2.gz JKMVBKJUNAKADG-AWEZNQCLSA-N -1 3 349.481 3.419 10 30 EGEEHM COc1cccc(-c2nc(C(=O)[N-]c3ccc(F)c(C#N)c3)no2)c1 ZINC000471795317 458731763 /nfs/dbraw/zinc/73/17/63/458731763.db2.gz YILGTWMTWVUDCZ-UHFFFAOYSA-N -1 3 338.298 3.008 10 30 EGEEHM CCC(C#N)(CC)C(=O)NCc1cc(Br)ccc1[O-] ZINC000529387910 459828280 /nfs/dbraw/zinc/82/82/80/459828280.db2.gz MZJDALPVBBVCRD-UHFFFAOYSA-N -1 3 325.206 3.101 10 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KIWXGTRXACHXNJ-LBPRGKRZSA-N -1 3 340.345 3.152 10 30 EGEEHM N#Cc1c(Cl)cccc1SCc1nc2c(c(=O)[n-]1)COCC2 ZINC000865363154 1329688842 /nfs/dbraw/zinc/68/88/42/1329688842.db2.gz PPTIBHSMEOHOBB-UHFFFAOYSA-N -1 3 333.800 3.072 10 30 EGEEHM O=C(Cc1[nH]nc2c1CCCC2)N([O-])CCCCc1ccccc1 ZINC001184293213 1387423698 /nfs/dbraw/zinc/42/36/98/1387423698.db2.gz KCZVHTVPHKWWAV-UHFFFAOYSA-N -1 3 327.428 3.072 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001184314687 1387427585 /nfs/dbraw/zinc/42/75/85/1387427585.db2.gz GPHHIOIVIWHGPC-AWEZNQCLSA-N -1 3 341.452 3.372 10 30 EGEEHM CC(=O)NC1CCC(C(=O)N([O-])Cc2cccc3ccccc32)CC1 ZINC001184338975 1387433315 /nfs/dbraw/zinc/43/33/15/1387433315.db2.gz AJLWCJJFNOHHCC-UHFFFAOYSA-N -1 3 340.423 3.253 10 30 EGEEHM C=C(C)CCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001286150199 1380910253 /nfs/dbraw/zinc/91/02/53/1380910253.db2.gz XJOPOFMQBDTGJC-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C#CCOc1cccc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC001293382739 1382280370 /nfs/dbraw/zinc/28/03/70/1382280370.db2.gz ZSOWFDIDQSRYRB-UHFFFAOYSA-N -1 3 346.180 3.419 10 30 EGEEHM CNc1ccc(C(=O)N([O-])Cc2ccccc2Cl)cc1[N+](=O)[O-] ZINC001161802159 1382511034 /nfs/dbraw/zinc/51/10/34/1382511034.db2.gz JPVIRXBQDBCYFR-UHFFFAOYSA-N -1 3 335.747 3.322 10 30 EGEEHM COC(=O)c1ccc(C(=O)N([O-])CCCCc2ccccc2)s1 ZINC001161807912 1382513184 /nfs/dbraw/zinc/51/31/84/1382513184.db2.gz RIYRGAQCBVZMHU-UHFFFAOYSA-N -1 3 333.409 3.389 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001295946144 1382879248 /nfs/dbraw/zinc/87/92/48/1382879248.db2.gz YFPDRDXMAUQOEY-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297549316 1383182773 /nfs/dbraw/zinc/18/27/73/1383182773.db2.gz NSCLQTDDUUTEFX-PMACEKPBSA-N -1 3 344.455 3.009 10 30 EGEEHM O=C(c1ccn(Cc2ccccc2)n1)N([O-])Cc1ccc(F)cc1 ZINC001306898594 1383917025 /nfs/dbraw/zinc/91/70/25/1383917025.db2.gz KEFKAZLEHAHZGJ-UHFFFAOYSA-N -1 3 325.343 3.102 10 30 EGEEHM O=C(C[C@H]1NC(=O)c2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306900345 1383917783 /nfs/dbraw/zinc/91/77/83/1383917783.db2.gz LYWATEQCSGBARO-LJQANCHMSA-N -1 3 346.386 3.432 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1Cc2ccccc2[C@@H]1C ZINC001342852324 1390663126 /nfs/dbraw/zinc/66/31/26/1390663126.db2.gz ICKDMMCPNQSRFK-LBPRGKRZSA-N -1 3 337.383 3.296 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC2(CCCC2)C1 ZINC001343419808 1390712734 /nfs/dbraw/zinc/71/27/34/1390712734.db2.gz QLKXZGSFAGKAPR-UHFFFAOYSA-N -1 3 347.854 3.063 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC2(CCCC2)C1 ZINC001343419808 1390712736 /nfs/dbraw/zinc/71/27/36/1390712736.db2.gz QLKXZGSFAGKAPR-UHFFFAOYSA-N -1 3 347.854 3.063 10 30 EGEEHM C=C(CC)C(=O)N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001347151466 1391013921 /nfs/dbraw/zinc/01/39/21/1391013921.db2.gz ORSVNIUUQITTFY-GFCCVEGCSA-N -1 3 340.345 3.152 10 30 EGEEHM C=C(C)CCC(=O)NCC1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001689762722 1404108916 /nfs/dbraw/zinc/10/89/16/1404108916.db2.gz REQCSBZZEMFAPF-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)NC(=O)c1ccccc1[O-] ZINC001703675807 1416017218 /nfs/dbraw/zinc/01/72/18/1416017218.db2.gz FZFHZHYIJGBBPM-DOTOQJQBSA-N -1 3 344.455 3.248 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001703975371 1416217329 /nfs/dbraw/zinc/21/73/29/1416217329.db2.gz WRZLNSXVDCHWPJ-HZPDHXFCSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001719449907 1422382035 /nfs/dbraw/zinc/38/20/35/1422382035.db2.gz WTMAHJPVQFSUFA-LSDHHAIUSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001725933510 1426629453 /nfs/dbraw/zinc/62/94/53/1426629453.db2.gz MYGALSMCLDISRO-HXUWFJFHSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001759572025 1441311816 /nfs/dbraw/zinc/31/18/16/1441311816.db2.gz WCTJPQBKRAJRMR-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM N#CC(=C([O-])C=Cc1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000054726935 214252381 /nfs/dbraw/zinc/25/23/81/214252381.db2.gz YVEWBLBZXLUAOH-XEHSLEBBSA-N -1 3 342.349 3.172 10 30 EGEEHM COc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)cc1 ZINC000103501887 219308693 /nfs/dbraw/zinc/30/86/93/219308693.db2.gz QKHAJOABFDBTAA-AWEZNQCLSA-N -1 3 346.745 3.449 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)Nc3ccc(F)c(C#N)c3)c([O-])c2O1 ZINC000078728311 217110290 /nfs/dbraw/zinc/11/02/90/217110290.db2.gz FNSWFDFRXFAION-UHFFFAOYSA-N -1 3 326.327 3.369 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c1 ZINC000316034091 154158507 /nfs/dbraw/zinc/15/85/07/154158507.db2.gz BBBWROIKKFBZJH-DZGCQCFKSA-N -1 3 332.812 3.046 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)c1 ZINC000295238029 455842731 /nfs/dbraw/zinc/84/27/31/455842731.db2.gz XSEUNNKJVIZRLY-GFCCVEGCSA-N -1 3 331.384 3.429 10 30 EGEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000620305577 460608057 /nfs/dbraw/zinc/60/80/57/460608057.db2.gz MLAKESNWYCYNOY-TXEJJXNPSA-N -1 3 330.334 3.130 10 30 EGEEHM N#CC(=C([O-])C=Cc1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000049456763 454548927 /nfs/dbraw/zinc/54/89/27/454548927.db2.gz JLOLEJIZHVXXHI-SDMNGIDPSA-N -1 3 331.375 3.098 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1ccccc1 ZINC000156765741 455149020 /nfs/dbraw/zinc/14/90/20/455149020.db2.gz WFFOZGHUHIOVJF-IUODEOHRSA-N -1 3 332.812 3.046 10 30 EGEEHM O=C([N-][C@H](c1cccc(F)c1F)C(F)(F)F)NCC(F)(F)F ZINC000182359695 455496603 /nfs/dbraw/zinc/49/66/03/455496603.db2.gz NBBYCRCOLNAIJY-MRVPVSSYSA-N -1 3 336.182 3.430 10 30 EGEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-]C1(C#N)CCCCC1)CC2 ZINC000185641462 455587855 /nfs/dbraw/zinc/58/78/55/455587855.db2.gz VDQZCTPSVXUVJS-UHFFFAOYSA-N -1 3 346.452 3.128 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@@H](C)CC3)n1 ZINC000297863527 456313236 /nfs/dbraw/zinc/31/32/36/456313236.db2.gz OMAMLDAXORLBGR-VHSXEESVSA-N -1 3 329.429 3.169 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@@H]3C)n1 ZINC000297887294 456317036 /nfs/dbraw/zinc/31/70/36/456317036.db2.gz QBNYJWIFTYUBMT-UWVGGRQHSA-N -1 3 329.429 3.169 10 30 EGEEHM COc1cc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc(Cl)c1[O-] ZINC000331292500 457161978 /nfs/dbraw/zinc/16/19/78/457161978.db2.gz QIMKSRULOAVNKA-NWDGAFQWSA-N -1 3 340.851 3.479 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C ZINC000354702953 457312887 /nfs/dbraw/zinc/31/28/87/457312887.db2.gz GQMWZLAXFGLWAF-TYNCELHUSA-N -1 3 329.444 3.101 10 30 EGEEHM N#CCCC[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1ccccc1 ZINC000352174442 457345512 /nfs/dbraw/zinc/34/55/12/457345512.db2.gz NBXXIQOVNCQLGZ-OAHLLOKOSA-N -1 3 337.358 3.262 10 30 EGEEHM N#CCCC[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1ccccc1 ZINC000352174442 457345515 /nfs/dbraw/zinc/34/55/15/457345515.db2.gz NBXXIQOVNCQLGZ-OAHLLOKOSA-N -1 3 337.358 3.262 10 30 EGEEHM N#CCCC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1ccccc1 ZINC000352174442 457345519 /nfs/dbraw/zinc/34/55/19/457345519.db2.gz NBXXIQOVNCQLGZ-OAHLLOKOSA-N -1 3 337.358 3.262 10 30 EGEEHM Cc1nnc2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cn12 ZINC000361523117 457768789 /nfs/dbraw/zinc/76/87/89/457768789.db2.gz CNUSKBSCMAGYBM-MRXNPFEDSA-N -1 3 327.347 3.076 10 30 EGEEHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1 ZINC000426826812 457911736 /nfs/dbraw/zinc/91/17/36/457911736.db2.gz GGFQRPLGQIEXSX-SFHVURJKSA-N -1 3 345.370 3.315 10 30 EGEEHM C[C@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000449852752 458433340 /nfs/dbraw/zinc/43/33/40/458433340.db2.gz UMLUYDIMORRLMY-GFCCVEGCSA-N -1 3 341.440 3.335 10 30 EGEEHM C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000518035455 458837510 /nfs/dbraw/zinc/83/75/10/458837510.db2.gz NRTDCGPRVCRNDO-XHDPSFHLSA-N -1 3 348.399 3.033 10 30 EGEEHM C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000518035454 458837748 /nfs/dbraw/zinc/83/77/48/458837748.db2.gz NRTDCGPRVCRNDO-NHYWBVRUSA-N -1 3 348.399 3.033 10 30 EGEEHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000567006138 459034268 /nfs/dbraw/zinc/03/42/68/459034268.db2.gz BKHQWFSTGRCADS-LBPRGKRZSA-N -1 3 335.256 3.351 10 30 EGEEHM N#CCCSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000558710045 459200591 /nfs/dbraw/zinc/20/05/91/459200591.db2.gz LEVOYRIIEYNUQC-UHFFFAOYSA-N -1 3 328.353 3.248 10 30 EGEEHM CCOc1cc(CN2CC[C@@](C)(C#N)C2)cc(Br)c1[O-] ZINC000597233049 459886480 /nfs/dbraw/zinc/88/64/80/459886480.db2.gz ZPQCRSXOAXBEIU-HNNXBMFYSA-N -1 3 339.233 3.289 10 30 EGEEHM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(C)s1 ZINC000593529586 459916694 /nfs/dbraw/zinc/91/66/94/459916694.db2.gz BUYWISSMPKMMDB-SECBINFHSA-N -1 3 326.468 3.338 10 30 EGEEHM N#CC1CCC(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000598720314 460006489 /nfs/dbraw/zinc/00/64/89/460006489.db2.gz PYSGIONGFUNZSE-UHFFFAOYSA-N -1 3 326.318 3.471 10 30 EGEEHM O=C(CC(F)(F)C(F)(F)F)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000869207786 1330437219 /nfs/dbraw/zinc/43/72/19/1330437219.db2.gz KOGGVHWKVZQFQG-NKWVEPMBSA-N -1 3 343.214 3.190 10 30 EGEEHM O=C([C@@H]1COc2cc(F)ccc2C1)N([O-])Cc1ccccc1Cl ZINC001184293140 1387423500 /nfs/dbraw/zinc/42/35/00/1387423500.db2.gz GTCKQDYULNRNQZ-ZDUSSCGKSA-N -1 3 335.762 3.448 10 30 EGEEHM O=C(c1ccc(-c2ccccn2)[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001184348084 1387436008 /nfs/dbraw/zinc/43/60/08/1387436008.db2.gz JJNMTBCVHYKJLE-UHFFFAOYSA-N -1 3 339.326 3.020 10 30 EGEEHM CN(C)c1cc(C(=O)N([O-])Cc2ccc(F)cc2)c2ccccc2n1 ZINC001184348727 1387436180 /nfs/dbraw/zinc/43/61/80/1387436180.db2.gz SCJJMMMXOWSMAH-UHFFFAOYSA-N -1 3 339.370 3.472 10 30 EGEEHM C=CCCCC[N-]S(=O)(=O)c1sc(Br)cc1C ZINC001189541615 1367048058 /nfs/dbraw/zinc/04/80/58/1367048058.db2.gz YIXHKTBZXSCLIY-UHFFFAOYSA-N -1 3 338.292 3.454 10 30 EGEEHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC001192466980 1367790821 /nfs/dbraw/zinc/79/08/21/1367790821.db2.gz BERXKYOGDKISJK-RISCZKNCSA-N -1 3 345.411 3.387 10 30 EGEEHM C#C[C@H]([N-]C(=O)C(F)(F)c1cccc(OC)c1)c1ccc(F)cc1 ZINC001129603108 1373401470 /nfs/dbraw/zinc/40/14/70/1373401470.db2.gz MVGQRXPQBUJYFQ-INIZCTEOSA-N -1 3 333.309 3.417 10 30 EGEEHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136934458 1377443096 /nfs/dbraw/zinc/44/30/96/1377443096.db2.gz NASCEABPTPWWJF-ADLMAVQZSA-N -1 3 343.814 3.384 10 30 EGEEHM N#C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCCCC1 ZINC001148335028 1379154084 /nfs/dbraw/zinc/15/40/84/1379154084.db2.gz RPNZNCGCQFXZJI-HNNXBMFYSA-N -1 3 343.814 3.384 10 30 EGEEHM COc1ccc([N+](=O)[O-])cc1C(=O)N([O-])Cc1ccccc1Cl ZINC001161802124 1382510580 /nfs/dbraw/zinc/51/05/80/1382510580.db2.gz IIIZRQQJCHPXQE-UHFFFAOYSA-N -1 3 336.731 3.288 10 30 EGEEHM CCOC(=O)c1cnc(C)c(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161807138 1382513454 /nfs/dbraw/zinc/51/34/54/1382513454.db2.gz DBYHVHAFKFAKBL-UHFFFAOYSA-N -1 3 348.786 3.252 10 30 EGEEHM O=C(c1c[nH]nc1-c1ccncc1)N([O-])Cc1ccccc1Cl ZINC001306894899 1383915833 /nfs/dbraw/zinc/91/58/33/1383915833.db2.gz RWHNCXNSSSVDSJ-UHFFFAOYSA-N -1 3 328.759 3.157 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001306897606 1383916841 /nfs/dbraw/zinc/91/68/41/1383916841.db2.gz UUIAYDBOXWTHNM-GUYCJALGSA-N -1 3 328.453 3.478 10 30 EGEEHM C=C1CCC(C[N-]S(=O)(=O)c2cccnc2C(F)(F)F)CC1 ZINC001309837001 1384197869 /nfs/dbraw/zinc/19/78/69/1384197869.db2.gz RUIFFWSPBLXSTF-UHFFFAOYSA-N -1 3 334.363 3.125 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001704829349 1416785767 /nfs/dbraw/zinc/78/57/67/1416785767.db2.gz ZTVDQGFQCAMVLD-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001734863511 1438314542 /nfs/dbraw/zinc/31/45/42/1438314542.db2.gz LJVMKLXSBZOXFL-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C=C(C)CCC(=O)N(C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001737412242 1438782933 /nfs/dbraw/zinc/78/29/33/1438782933.db2.gz MCJZRZHNYGKHFC-MRXNPFEDSA-N -1 3 344.455 3.059 10 30 EGEEHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001739185705 1439292025 /nfs/dbraw/zinc/29/20/25/1439292025.db2.gz ASEUEYLCGZYEJY-GJZGRUSLSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001759589868 1441314251 /nfs/dbraw/zinc/31/42/51/1441314251.db2.gz FRVVLYXRQJPXRM-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000103056351 219251132 /nfs/dbraw/zinc/25/11/32/219251132.db2.gz GPDBKKOADQWVPJ-MAUKXSAKSA-N -1 3 343.471 3.127 10 30 EGEEHM Cc1ccc(-c2nsc([N-]C(=O)c3cc(C#N)ccn3)n2)s1 ZINC000352934289 141271349 /nfs/dbraw/zinc/27/13/49/141271349.db2.gz VESGBTXDJXQLGX-UHFFFAOYSA-N -1 3 327.394 3.094 10 30 EGEEHM Cc1csc([N-]C(=O)c2cnc(-c3cnn(C)c3)s2)c1C#N ZINC000344919879 144242592 /nfs/dbraw/zinc/24/25/92/144242592.db2.gz FTSVKJXLEAZBHW-UHFFFAOYSA-N -1 3 329.410 3.038 10 30 EGEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2sccc2C#N)[n-]1 ZINC000191964154 153234416 /nfs/dbraw/zinc/23/44/16/153234416.db2.gz NWRWBESOKLEBJP-UHFFFAOYSA-N -1 3 346.412 3.114 10 30 EGEEHM CCCCc1nc(NC(=O)c2sccc2C#N)c(C(=O)OCC)[n-]1 ZINC000191964154 153234419 /nfs/dbraw/zinc/23/44/19/153234419.db2.gz NWRWBESOKLEBJP-UHFFFAOYSA-N -1 3 346.412 3.114 10 30 EGEEHM N#Cc1ccc(C2(NCc3cccc(C(=O)[O-])c3)CCOCC2)cc1 ZINC000530252297 268211981 /nfs/dbraw/zinc/21/19/81/268211981.db2.gz LMOMBELVQFQWQZ-UHFFFAOYSA-N -1 3 336.391 3.052 10 30 EGEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc([O-])c1F ZINC000534945428 314007262 /nfs/dbraw/zinc/00/72/62/314007262.db2.gz RHCCUMVYYFJBQU-KRWDZBQOSA-N -1 3 328.343 3.445 10 30 EGEEHM CCC(C)(CC)[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553493616 315266772 /nfs/dbraw/zinc/26/67/72/315266772.db2.gz ONBAXAVFDOLLHS-UHFFFAOYSA-N -1 3 345.262 3.178 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c(F)c1 ZINC000565456614 316325515 /nfs/dbraw/zinc/32/55/15/316325515.db2.gz SPXWXCDZYBRIKS-UHFFFAOYSA-N -1 3 330.384 3.053 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000420735608 458400002 /nfs/dbraw/zinc/40/00/02/458400002.db2.gz XENKJTOAJACYTE-UHFFFAOYSA-N -1 3 325.764 3.186 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(OC)ccc1[O-] ZINC000130161658 455145198 /nfs/dbraw/zinc/14/51/98/455145198.db2.gz RJLQKUFCYDLGFM-UHFFFAOYSA-N -1 3 342.351 3.137 10 30 EGEEHM COc1cc(C)c(NC(=O)[N-]c2snc(C)c2C#N)cc1OC ZINC000297363850 456199882 /nfs/dbraw/zinc/19/98/82/456199882.db2.gz GZUNNROKURHKAH-UHFFFAOYSA-N -1 3 332.385 3.293 10 30 EGEEHM CC[C@@](C)([N-]S(=O)(=O)CC1(C#N)CCCC1)c1nc(C)cs1 ZINC000352863091 456371167 /nfs/dbraw/zinc/37/11/67/456371167.db2.gz SNIHUQRZIQXLGF-CQSZACIVSA-N -1 3 341.502 3.080 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1c(F)cccc1F ZINC000353421834 456690251 /nfs/dbraw/zinc/69/02/51/456690251.db2.gz BEFVXAUWVWJZQZ-LLVKDONJSA-N -1 3 328.384 3.029 10 30 EGEEHM C[C@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000341884111 456985435 /nfs/dbraw/zinc/98/54/35/456985435.db2.gz FOZLJOPVDBMQLF-QLJPJBMISA-N -1 3 348.811 3.012 10 30 EGEEHM CC[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)[C@@H](O)C(F)(F)F ZINC000331231705 457149970 /nfs/dbraw/zinc/14/99/70/457149970.db2.gz INRQTUCLFFKBKY-GXFFZTMASA-N -1 3 347.333 3.112 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1Cl ZINC000362918815 457155413 /nfs/dbraw/zinc/15/54/13/457155413.db2.gz QASZZSHHQQJYLT-SNVBAGLBSA-N -1 3 334.775 3.068 10 30 EGEEHM CSc1cccc(F)c1C[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000351979447 457327174 /nfs/dbraw/zinc/32/71/74/457327174.db2.gz PFEKYWZDWPRWLW-UHFFFAOYSA-N -1 3 342.461 3.051 10 30 EGEEHM C=CCCCS(=O)(=O)[N-]c1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000427752995 458030852 /nfs/dbraw/zinc/03/08/52/458030852.db2.gz AGEUFWQENSBHIF-UHFFFAOYSA-N -1 3 333.335 3.290 10 30 EGEEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)s1 ZINC000431628314 458598722 /nfs/dbraw/zinc/59/87/22/458598722.db2.gz OTCJZRJHCJSWEZ-HNNXBMFYSA-N -1 3 349.481 3.473 10 30 EGEEHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628421 458948144 /nfs/dbraw/zinc/94/81/44/458948144.db2.gz DKQYEZYQHDMFHV-NSHDSACASA-N -1 3 342.380 3.494 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C/C=C\c2ccccc2)c1 ZINC000475814808 458967381 /nfs/dbraw/zinc/96/73/81/458967381.db2.gz XEUDQNIEEODEPP-DAXSKMNVSA-N -1 3 332.812 3.203 10 30 EGEEHM N#Cc1ccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])cc1 ZINC000442806691 459041208 /nfs/dbraw/zinc/04/12/08/459041208.db2.gz BYOZGRVPUWXCJP-UHFFFAOYSA-N -1 3 336.269 3.344 10 30 EGEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1F ZINC000594830057 459159063 /nfs/dbraw/zinc/15/90/63/459159063.db2.gz DUEIOQRJHLESCB-OAHLLOKOSA-N -1 3 338.429 3.434 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)sc1Cl ZINC000594883790 459165220 /nfs/dbraw/zinc/16/52/20/459165220.db2.gz IGZWKNICTCLBLW-UHFFFAOYSA-N -1 3 332.878 3.462 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000559627617 459268920 /nfs/dbraw/zinc/26/89/20/459268920.db2.gz YWMYEBWQTNKVJC-UHFFFAOYSA-N -1 3 344.396 3.453 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C1CC1 ZINC000593599682 459931365 /nfs/dbraw/zinc/93/13/65/459931365.db2.gz BWLXSCRXDNLYNO-AWEZNQCLSA-N -1 3 332.450 3.092 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000593620155 459935496 /nfs/dbraw/zinc/93/54/96/459935496.db2.gz GNBJNMQEAKWCAH-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3Cc4cccc(C#N)c4C3)c([O-])c2O1 ZINC000593888053 460011516 /nfs/dbraw/zinc/01/15/16/460011516.db2.gz FCWGJKOUMXYJBH-UHFFFAOYSA-N -1 3 334.375 3.133 10 30 EGEEHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000618606489 460084631 /nfs/dbraw/zinc/08/46/31/460084631.db2.gz NDHVOYHTGNUAEW-GFCCVEGCSA-N -1 3 335.256 3.351 10 30 EGEEHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1cccc(C#N)c1 ZINC000610366452 460137063 /nfs/dbraw/zinc/13/70/63/460137063.db2.gz CFVGSFORDBFAFH-GFCCVEGCSA-N -1 3 336.391 3.468 10 30 EGEEHM N#CCc1ccccc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000601472534 460817683 /nfs/dbraw/zinc/81/76/83/460817683.db2.gz WGQKFFKPVFXDGB-OAHLLOKOSA-N -1 3 342.411 3.245 10 30 EGEEHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028578 576819184 /nfs/dbraw/zinc/81/91/84/576819184.db2.gz KGVACWYCDGXINQ-FYJFLYSWSA-N -1 3 332.787 3.271 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC1CCC2(CC2)CC1 ZINC000870796751 1296085588 /nfs/dbraw/zinc/08/55/88/1296085588.db2.gz CNCQAOZLHMEWBO-UHFFFAOYSA-N -1 3 328.412 3.474 10 30 EGEEHM CCOC(=O)c1c(C)[n-]c(=O)nc1SCC1CCC(C#N)CC1 ZINC000918700426 1319990702 /nfs/dbraw/zinc/99/07/02/1319990702.db2.gz XCFHTBHFERBFGI-UHFFFAOYSA-N -1 3 335.429 3.089 10 30 EGEEHM CCCCCCN([O-])C(=O)CCCNC(=O)NC1CCCCC1 ZINC001184305578 1387425087 /nfs/dbraw/zinc/42/50/87/1387425087.db2.gz MNIANOXLYQKSIJ-UHFFFAOYSA-N -1 3 327.469 3.197 10 30 EGEEHM CCOC(=O)[C@H](C(=O)N([O-])Cc1cccc2ccccc21)C(C)C ZINC001184339525 1387433565 /nfs/dbraw/zinc/43/35/65/1387433565.db2.gz GURSQKHYGXGPTP-KRWDZBQOSA-N -1 3 329.396 3.393 10 30 EGEEHM CC1(C)CC[C@H](C(=O)N[C@H]2CCCN([O-])C2=O)[C@H](c2ccccc2)C1 ZINC001141463113 1378329171 /nfs/dbraw/zinc/32/91/71/1378329171.db2.gz FDKFSOYFFOSHQW-ULQDDVLXSA-N -1 3 344.455 3.093 10 30 EGEEHM C=CC(C)(C)CC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001281293295 1378411819 /nfs/dbraw/zinc/41/18/19/1378411819.db2.gz ZYYVCPXQFKVFGL-UHFFFAOYSA-N -1 3 346.471 3.304 10 30 EGEEHM CCCCCCN([O-])C(=O)C1CCN(C(=O)OCC(C)C)CC1 ZINC001306896532 1383916681 /nfs/dbraw/zinc/91/66/81/1383916681.db2.gz ATLPAESWJROZRP-UHFFFAOYSA-N -1 3 328.453 3.289 10 30 EGEEHM O=C(Cc1cccc([N+](=O)[O-])c1)N([O-])CCCCc1ccccc1 ZINC001306895962 1383915707 /nfs/dbraw/zinc/91/57/07/1383915707.db2.gz CZOVTKFWRVRZGZ-UHFFFAOYSA-N -1 3 328.368 3.378 10 30 EGEEHM Cc1c([O-])ccc2c(CN3Cc4cccc(C#N)c4C3)cc(=O)oc12 ZINC001307892123 1384051718 /nfs/dbraw/zinc/05/17/18/1384051718.db2.gz BTWYFLAOJZGVTB-UHFFFAOYSA-N -1 3 332.359 3.195 10 30 EGEEHM C=C1CCC(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001339782530 1390143438 /nfs/dbraw/zinc/14/34/38/1390143438.db2.gz OLGKDAHOJNEZEA-LSDHHAIUSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCO[C@@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001334358838 1390524457 /nfs/dbraw/zinc/52/44/57/1390524457.db2.gz KRNSFVCEOIQFEO-GFCCVEGCSA-N -1 3 330.197 3.071 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001719471592 1422385087 /nfs/dbraw/zinc/38/50/87/1422385087.db2.gz LPZUWPKNLDDBKU-BXTJHSDWSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001726188568 1426929652 /nfs/dbraw/zinc/92/96/52/1426929652.db2.gz AATDPVRONAEWLQ-CABCVRRESA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001737510648 1438812955 /nfs/dbraw/zinc/81/29/55/1438812955.db2.gz AETNYZOXYAGITP-HOTGVXAUSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])CC(C)C ZINC001746691248 1439922878 /nfs/dbraw/zinc/92/28/78/1439922878.db2.gz MOQLIVYIVLJCBS-HNNXBMFYSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001747614129 1440000440 /nfs/dbraw/zinc/00/04/40/1440000440.db2.gz LOJNDRPSSDMILY-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001759589866 1441314180 /nfs/dbraw/zinc/31/41/80/1441314180.db2.gz FRVVLYXRQJPXRM-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001759776774 1441323289 /nfs/dbraw/zinc/32/32/89/1441323289.db2.gz VKLOLGZPWDVBOX-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM N/C(=N\[O-])c1ccc(Oc2ccc(F)cc2Br)cc1 ZINC000019866273 212077788 /nfs/dbraw/zinc/07/77/88/212077788.db2.gz NPHGQCOCXONIDO-UHFFFAOYSA-N -1 3 325.137 3.475 10 30 EGEEHM N/C(=N\[O-])c1cccc(OCc2cc(Br)ccc2F)c1 ZINC000019473161 212031537 /nfs/dbraw/zinc/03/15/37/212031537.db2.gz FYLGEXASEKBWKM-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM COC(=O)c1sc([N-]C(=O)c2ccc(C#N)o2)nc1C1CCCC1 ZINC000450586091 269720753 /nfs/dbraw/zinc/72/07/53/269720753.db2.gz RGRQWIVRCZHWBB-UHFFFAOYSA-N -1 3 345.380 3.304 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1c(F)cccc1F ZINC000343669197 164008305 /nfs/dbraw/zinc/00/83/05/164008305.db2.gz NDTGFPHYZJKVAE-SECBINFHSA-N -1 3 340.326 3.015 10 30 EGEEHM Cc1ccc([O-])c(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000345936716 164299199 /nfs/dbraw/zinc/29/91/99/164299199.db2.gz JSILIPFITVNHQL-MRXNPFEDSA-N -1 3 325.368 3.009 10 30 EGEEHM N#Cc1ccnc([N-]C(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)c1 ZINC000448400418 270052874 /nfs/dbraw/zinc/05/28/74/270052874.db2.gz SJENXQGCHHYEEI-UHFFFAOYSA-N -1 3 336.229 3.133 10 30 EGEEHM Cc1cc(C)c(-c2cc(=NC(=O)Cc3cccc(C#N)c3)[nH][n-]2)cc1C ZINC000530673175 270060485 /nfs/dbraw/zinc/06/04/85/270060485.db2.gz GJZXUYSDSHGOFF-UHFFFAOYSA-N -1 3 344.418 3.477 10 30 EGEEHM N#Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)c(F)cc3[O-])C2)nc1 ZINC000293892607 268182933 /nfs/dbraw/zinc/18/29/33/268182933.db2.gz KMYDLNAWNRFXSL-CYBMUJFWSA-N -1 3 347.777 3.105 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3ccccc3C2)c(Cl)c1 ZINC000322028990 268206618 /nfs/dbraw/zinc/20/66/18/268206618.db2.gz QJGKSFZLCIILJU-HNNXBMFYSA-N -1 3 346.839 3.047 10 30 EGEEHM Cc1ccn2c(c1)nnc2[N-]C(=O)c1cnc(-c2ccco2)s1 ZINC000088254233 454096421 /nfs/dbraw/zinc/09/64/21/454096421.db2.gz QRADFPWQVMTTQN-UHFFFAOYSA-N -1 3 325.353 3.391 10 30 EGEEHM N#CC(=C([O-])C=Cc1ccc(N2CCCC2=O)cc1)c1ccccn1 ZINC000049456766 454549468 /nfs/dbraw/zinc/54/94/68/454549468.db2.gz JLOLEJIZHVXXHI-YRYLYKBFSA-N -1 3 331.375 3.098 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000156765465 455149251 /nfs/dbraw/zinc/14/92/51/455149251.db2.gz WFFOZGHUHIOVJF-DOMZBBRYSA-N -1 3 332.812 3.046 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000295707276 455857758 /nfs/dbraw/zinc/85/77/58/455857758.db2.gz KMIJXPMBUFSSJK-UWVGGRQHSA-N -1 3 333.240 3.354 10 30 EGEEHM C=C(C)[C@@H](NC(=O)NCc1ncccc1[O-])c1ccc(F)c(F)c1 ZINC000349945700 457117868 /nfs/dbraw/zinc/11/78/68/457117868.db2.gz OETMCCIGSXYLDC-MRXNPFEDSA-N -1 3 333.338 3.182 10 30 EGEEHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000357189374 457366146 /nfs/dbraw/zinc/36/61/46/457366146.db2.gz ODGHQHSLKGAOHW-AWEZNQCLSA-N -1 3 331.169 3.149 10 30 EGEEHM CN(C)C(=O)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361530577 457774829 /nfs/dbraw/zinc/77/48/29/457774829.db2.gz ZBOSCLAZUHRIMO-SFHVURJKSA-N -1 3 343.386 3.427 10 30 EGEEHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2nccc3ccccc32)c1C ZINC000361542255 457782459 /nfs/dbraw/zinc/78/24/59/457782459.db2.gz XOETYRMGZCKJMV-HNNXBMFYSA-N -1 3 347.374 3.456 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)NC3(c4cccc(C#N)c4)CC3)c([O-])c2O1 ZINC000436602687 458343594 /nfs/dbraw/zinc/34/35/94/458343594.db2.gz FUBNFNKUNYSURM-UHFFFAOYSA-N -1 3 348.402 3.396 10 30 EGEEHM CCOc1cc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)ccc1C ZINC000429564368 458346793 /nfs/dbraw/zinc/34/67/93/458346793.db2.gz DQJPMWWMQGAZDG-CQSZACIVSA-N -1 3 334.379 3.464 10 30 EGEEHM Cc1nsc([N-]C(=O)c2ccc(Br)s2)c1C#N ZINC000439283343 458685095 /nfs/dbraw/zinc/68/50/95/458685095.db2.gz KALJEKHUCVMLHT-UHFFFAOYSA-N -1 3 328.216 3.400 10 30 EGEEHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000518035447 458837893 /nfs/dbraw/zinc/83/78/93/458837893.db2.gz NRTDCGPRVCRNDO-ABAIWWIYSA-N -1 3 348.399 3.033 10 30 EGEEHM N#Cc1c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)sc2c1CCCCC2 ZINC000532144347 459037119 /nfs/dbraw/zinc/03/71/19/459037119.db2.gz ZPSXJKRFPJKJKM-UHFFFAOYSA-N -1 3 342.380 3.444 10 30 EGEEHM C[C@]1(C#N)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000595840355 459460971 /nfs/dbraw/zinc/46/09/71/459460971.db2.gz OCIJGWWABNCOPD-QGZVFWFLSA-N -1 3 340.408 3.392 10 30 EGEEHM Cn1ncc2cc(C([O-])=C(C#N)c3nccc4ccccc43)cnc21 ZINC000562317884 459537576 /nfs/dbraw/zinc/53/75/76/459537576.db2.gz QBCFMQQCKUJFLG-INIZCTEOSA-N -1 3 327.347 3.007 10 30 EGEEHM CC(C)[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593278066 459827244 /nfs/dbraw/zinc/82/72/44/459827244.db2.gz FWUPZXIJCABJGH-QMMMGPOBSA-N -1 3 327.258 3.022 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000593622634 459934931 /nfs/dbraw/zinc/93/49/31/459934931.db2.gz ZOAFRQLCQGPFNS-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000593621182 459935668 /nfs/dbraw/zinc/93/56/68/459935668.db2.gz PCYAOHWVTKUKBJ-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM CC(C)([N-]S(=O)(=O)CC1(C#N)CCC1)c1nc2ccccc2s1 ZINC000599385498 460243805 /nfs/dbraw/zinc/24/38/05/460243805.db2.gz QHNXSTLCYCGNMA-UHFFFAOYSA-N -1 3 349.481 3.145 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c(C(F)(F)F)c1 ZINC000601481868 460819730 /nfs/dbraw/zinc/81/97/30/460819730.db2.gz KMPDLJSJERJCBD-CYBMUJFWSA-N -1 3 344.358 3.188 10 30 EGEEHM C=CC[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000636320664 461097294 /nfs/dbraw/zinc/09/72/94/461097294.db2.gz QDTJREDYMCMFAA-QGZVFWFLSA-N -1 3 337.423 3.426 10 30 EGEEHM CCOc1ccc(/C=N\C2CCN(C(=O)OC(C)C)CC2)c([O-])c1 ZINC000732927160 575296589 /nfs/dbraw/zinc/29/65/89/575296589.db2.gz ZIYTUSXCXZRQRB-UNOMPAQXSA-N -1 3 334.416 3.219 10 30 EGEEHM COC(=O)[C@@H](OC(=O)c1cc2ccsc2[n-]1)c1ccc(C#N)cc1 ZINC000740200022 576563813 /nfs/dbraw/zinc/56/38/13/576563813.db2.gz VXTIGOQGOMRDPY-AWEZNQCLSA-N -1 3 340.360 3.172 10 30 EGEEHM C=C(C)CN(Cc1ccc(CO)o1)C[C@H](C)C(=O)c1ccc([O-])cc1 ZINC000930455502 1328859527 /nfs/dbraw/zinc/85/95/27/1328859527.db2.gz PHXGAWYZVYECIM-HNNXBMFYSA-N -1 3 343.423 3.375 10 30 EGEEHM Cc1cc2c(CC/N=C/c3c([O-])c(C)ncc3CO)c[nH]c2cc1F ZINC000864346738 1329608681 /nfs/dbraw/zinc/60/86/81/1329608681.db2.gz DDRDIPHQPPXJRP-ZVBGSRNCSA-N -1 3 341.386 3.178 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1cccc(F)n1 ZINC001123108169 1372381952 /nfs/dbraw/zinc/38/19/52/1372381952.db2.gz FBAZHQHBDOBKDD-GFCCVEGCSA-N -1 3 343.358 3.047 10 30 EGEEHM C[C@H]1CCC[C@](C#N)(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001136934721 1377443042 /nfs/dbraw/zinc/44/30/42/1377443042.db2.gz QTDBMAXFBNPOBG-YPMLDQLKSA-N -1 3 345.349 3.009 10 30 EGEEHM CC1(C)CC[C@H](C(=O)N[C@@H]2CCCN([O-])C2=O)[C@@H](c2ccccc2)C1 ZINC001141463112 1378329060 /nfs/dbraw/zinc/32/90/60/1378329060.db2.gz FDKFSOYFFOSHQW-GVDBMIGSSA-N -1 3 344.455 3.093 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001281318780 1378416087 /nfs/dbraw/zinc/41/60/87/1378416087.db2.gz RFQBWKPRYQQZGG-UZLBHIALSA-N -1 3 346.471 3.255 10 30 EGEEHM C#CCOc1ccc(NC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001146478860 1378848759 /nfs/dbraw/zinc/84/87/59/1378848759.db2.gz XSGXBDZCHPHSEF-UHFFFAOYSA-N -1 3 346.180 3.419 10 30 EGEEHM Cc1cc(Cl)nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)c1 ZINC001296837969 1383070546 /nfs/dbraw/zinc/07/05/46/1383070546.db2.gz PNQZKBSANDOOSL-UHFFFAOYSA-N -1 3 335.741 3.323 10 30 EGEEHM O=C([C@@H]1CNC(=O)c2ccccc21)N([O-])Cc1cccc2ccccc21 ZINC001306901039 1383917462 /nfs/dbraw/zinc/91/74/62/1383917462.db2.gz VSXQBRFKTAVPIH-LJQANCHMSA-N -1 3 346.386 3.085 10 30 EGEEHM C=CCCCCCCC[N-]S(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC001309556412 1384186534 /nfs/dbraw/zinc/18/65/34/1384186534.db2.gz BJGDCXWKJAYRHY-HXUWFJFHSA-N -1 3 338.539 3.244 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@@H](C)c1ccccc1C ZINC001339015000 1389859328 /nfs/dbraw/zinc/85/93/28/1389859328.db2.gz OWAXCIMLFRHTKM-ZDUSSCGKSA-N -1 3 339.399 3.331 10 30 EGEEHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1Cc2ccccc2[C@H]1C ZINC001342025273 1390563221 /nfs/dbraw/zinc/56/32/21/1390563221.db2.gz PLNSYTOBQDIDPG-CYBMUJFWSA-N -1 3 348.410 3.098 10 30 EGEEHM C=C(C)CCC(=O)NCC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001701556392 1415130522 /nfs/dbraw/zinc/13/05/22/1415130522.db2.gz LKTRPXQDVJENCA-MRXNPFEDSA-N -1 3 332.444 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721442155 1423342589 /nfs/dbraw/zinc/34/25/89/1423342589.db2.gz BJYLHSHXXPPMCF-HOTGVXAUSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCC1(C(=O)NCCC[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001726249657 1426988815 /nfs/dbraw/zinc/98/88/15/1426988815.db2.gz AAEXCRKWKDEIHJ-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001737300523 1438754538 /nfs/dbraw/zinc/75/45/38/1438754538.db2.gz VZMNVHZIVYVUEE-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001737510649 1438812937 /nfs/dbraw/zinc/81/29/37/1438812937.db2.gz AETNYZOXYAGITP-HZPDHXFCSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001759415278 1441281426 /nfs/dbraw/zinc/28/14/26/1441281426.db2.gz ZUKJBYUUCGMNFI-KLHDSHLOSA-N -1 3 344.455 3.008 10 30 EGEEHM C=CCCC(=O)N(C)CCC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001759494280 1441297533 /nfs/dbraw/zinc/29/75/33/1441297533.db2.gz WSZGVTOWFWODGP-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM N#Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(N)ccc1Cl ZINC000038033774 213193982 /nfs/dbraw/zinc/19/39/82/213193982.db2.gz CVJCOXCEIGWQBH-UHFFFAOYSA-N -1 3 342.207 3.248 10 30 EGEEHM N#Cc1ccc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)cc1[O-] ZINC000191133915 268036478 /nfs/dbraw/zinc/03/64/78/268036478.db2.gz WMTGDOKLAKGLPW-IBGZPJMESA-N -1 3 349.434 3.048 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCC(F)(F)C1 ZINC000443498611 268182782 /nfs/dbraw/zinc/18/27/82/268182782.db2.gz IPLMBLFEVKNRKI-LLVKDONJSA-N -1 3 334.775 3.068 10 30 EGEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000174877803 323311837 /nfs/dbraw/zinc/31/18/37/323311837.db2.gz WMZDSRPRKKMFMR-QGZVFWFLSA-N -1 3 328.343 3.445 10 30 EGEEHM O=C(CCCC1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1)N[O-] ZINC000036475297 453927781 /nfs/dbraw/zinc/92/77/81/453927781.db2.gz ZFLYKIYEOSMNOJ-UHFFFAOYSA-N -1 3 344.415 3.088 10 30 EGEEHM N#CC(=C([O-])C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000049456593 454549294 /nfs/dbraw/zinc/54/92/94/454549294.db2.gz INICJPTZVWOPMN-DSYXLKISSA-N -1 3 340.766 3.396 10 30 EGEEHM N#C[C@@]1([N-]S(=O)(=O)/C=C/c2ccccc2)CCc2ccccc2C1 ZINC000185145614 455510022 /nfs/dbraw/zinc/51/00/22/455510022.db2.gz JLWUPEOHBVUPCU-XSSIKURBSA-N -1 3 338.432 3.028 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000292708797 455736984 /nfs/dbraw/zinc/73/69/84/455736984.db2.gz HGHFIZJMVMYCKI-CYBMUJFWSA-N -1 3 339.773 3.491 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000293387013 455784693 /nfs/dbraw/zinc/78/46/93/455784693.db2.gz IXTLBBWXSZNETQ-SNVBAGLBSA-N -1 3 337.326 3.134 10 30 EGEEHM N#CC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC1 ZINC000186653933 455812416 /nfs/dbraw/zinc/81/24/16/455812416.db2.gz QOLOFPNRQRGYMD-UHFFFAOYSA-N -1 3 334.375 3.189 10 30 EGEEHM [O-]c1cc(N2CCCC2)ccc1C=NNC(=S)Nc1ccccc1 ZINC000252622304 455824061 /nfs/dbraw/zinc/82/40/61/455824061.db2.gz NSBLODSSWZWYCK-UHFFFAOYSA-N -1 3 340.452 3.313 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000295645090 455856423 /nfs/dbraw/zinc/85/64/23/455856423.db2.gz DTPTVTVLZMGFON-ONGXEEELSA-N -1 3 333.240 3.354 10 30 EGEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C)CC2 ZINC000274292922 456254649 /nfs/dbraw/zinc/25/46/49/456254649.db2.gz FPNWOLJBHBMQAH-SFHVURJKSA-N -1 3 348.468 3.230 10 30 EGEEHM COC(=O)c1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)c[n-]1 ZINC000340109648 457335753 /nfs/dbraw/zinc/33/57/53/457335753.db2.gz XCJDNBWIWZCTJE-LLVKDONJSA-N -1 3 343.408 3.448 10 30 EGEEHM N#CC(=C([O-])c1ccc2c(c1)OCC(=O)N2)c1nccc2ccccc21 ZINC000361531652 457774844 /nfs/dbraw/zinc/77/48/44/457774844.db2.gz STNIGCZYMVQIIT-OAHLLOKOSA-N -1 3 343.342 3.056 10 30 EGEEHM N#CCCCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(F)c2)c1 ZINC000426798181 457905771 /nfs/dbraw/zinc/90/57/71/457905771.db2.gz IKGHINBQMRQRCX-SFHVURJKSA-N -1 3 342.370 3.424 10 30 EGEEHM Cc1c(C[N-]S(=O)(=O)c2ccc(C#N)s2)oc2ccccc12 ZINC000435430434 458144459 /nfs/dbraw/zinc/14/44/59/458144459.db2.gz BMDNBOHGIPOLAW-UHFFFAOYSA-N -1 3 332.406 3.153 10 30 EGEEHM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2cc(C#N)ccc2Cl)s1 ZINC000376145888 458211286 /nfs/dbraw/zinc/21/12/86/458211286.db2.gz VKXRLMKCDITEJC-UHFFFAOYSA-N -1 3 344.787 3.014 10 30 EGEEHM Cc1nnc(SCc2noc(-c3ccccc3[O-])n2)c(C#N)c1C ZINC000376843320 458403949 /nfs/dbraw/zinc/40/39/49/458403949.db2.gz PUDGSYWVBXRJEI-UHFFFAOYSA-N -1 3 339.380 3.013 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CCC(F)(F)CC1 ZINC000594486212 459058095 /nfs/dbraw/zinc/05/80/95/459058095.db2.gz DMZGQXKRDBRGHK-VIFPVBQESA-N -1 3 334.413 3.112 10 30 EGEEHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cc(-c4ccoc4)[nH]n3)nc21 ZINC000522830735 459265818 /nfs/dbraw/zinc/26/58/18/459265818.db2.gz UHVXZEJNRPCXMN-GFCCVEGCSA-N -1 3 331.335 3.345 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@@H]1C1CCC1 ZINC000592733767 459678608 /nfs/dbraw/zinc/67/86/08/459678608.db2.gz BZQSIULCWBOLBD-GOSISDBHSA-N -1 3 341.455 3.390 10 30 EGEEHM O=C(CCCCCCc1ccc(N2CCCCC2)cc1)C(=O)N[O-] ZINC000584652251 459778505 /nfs/dbraw/zinc/77/85/05/459778505.db2.gz FBKSZRQAGJJIKM-UHFFFAOYSA-N -1 3 332.444 3.244 10 30 EGEEHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)on1 ZINC000593547543 459920770 /nfs/dbraw/zinc/92/07/70/459920770.db2.gz VZBDSTRWANECOZ-UHFFFAOYSA-N -1 3 347.440 3.078 10 30 EGEEHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610085342 460061451 /nfs/dbraw/zinc/06/14/51/460061451.db2.gz JBDPDYCNDDEKCM-UHFFFAOYSA-N -1 3 344.367 3.231 10 30 EGEEHM COc1ccc(Cl)cc1-c1cc(=NC(=O)CCCCC#N)[nH][n-]1 ZINC000594420920 460213421 /nfs/dbraw/zinc/21/34/21/460213421.db2.gz OZHPYQJAEHUUFK-UHFFFAOYSA-N -1 3 332.791 3.183 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000599359520 460239018 /nfs/dbraw/zinc/23/90/18/460239018.db2.gz CKULFXYFZAKUDA-UHFFFAOYSA-N -1 3 345.848 3.007 10 30 EGEEHM Cc1ccc([O-])c(C=NNc2ccc(OCC(F)(F)F)cc2)n1 ZINC000728780817 574770801 /nfs/dbraw/zinc/77/08/01/574770801.db2.gz AAIJNXKIMQKYJI-UHFFFAOYSA-N -1 3 325.290 3.483 10 30 EGEEHM COc1cc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)ccc1[O-] ZINC000606444095 1298096637 /nfs/dbraw/zinc/09/66/37/1298096637.db2.gz DZSSVHATUQBANK-DAXSKMNVSA-N -1 3 341.388 3.210 10 30 EGEEHM C#C[C@H]1CCCCN1C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1 ZINC000890658045 1304850806 /nfs/dbraw/zinc/85/08/06/1304850806.db2.gz DVAWXSKHBWWSJZ-NSHDSACASA-N -1 3 335.429 3.118 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCCCC(C)(F)F ZINC000922286579 1322492668 /nfs/dbraw/zinc/49/26/68/1322492668.db2.gz ZOBJONSSEUGZNW-UHFFFAOYSA-N -1 3 326.343 3.187 10 30 EGEEHM Cc1ncc(CO)c(/C=N\Cc2ccccc2CC(F)(F)F)c1[O-] ZINC000864346436 1329608760 /nfs/dbraw/zinc/60/87/60/1329608760.db2.gz WNQCTMMIXITGIC-NKVSQWTQSA-N -1 3 338.329 3.312 10 30 EGEEHM O=C(CC(F)(F)C(F)(F)F)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000869207787 1330437170 /nfs/dbraw/zinc/43/71/70/1330437170.db2.gz KOGGVHWKVZQFQG-RNFRBKRXSA-N -1 3 343.214 3.190 10 30 EGEEHM C#C[C@H](CC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211719658 1372607432 /nfs/dbraw/zinc/60/74/32/1372607432.db2.gz PADQUEBTNDJFDT-GFCCVEGCSA-N -1 3 340.857 3.154 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001280794237 1378379475 /nfs/dbraw/zinc/37/94/75/1378379475.db2.gz PGJIBJKTCCZCIH-KUHUBIRLSA-N -1 3 332.444 3.009 10 30 EGEEHM N#Cc1ccc(F)c(C(=O)Nc2cc(Br)ccc2[O-])c1 ZINC001295978269 1382889838 /nfs/dbraw/zinc/88/98/38/1382889838.db2.gz DBYLKNHTTZGFMR-UHFFFAOYSA-N -1 3 335.132 3.418 10 30 EGEEHM O=C(c1ccc(-c2ccco2)[nH]c1=O)N([O-])Cc1ccc(F)cc1 ZINC001306898733 1383916634 /nfs/dbraw/zinc/91/66/34/1383916634.db2.gz ONIISEUSKLYVPZ-UHFFFAOYSA-N -1 3 328.299 3.218 10 30 EGEEHM C=CC(C)(C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC001309937502 1384203360 /nfs/dbraw/zinc/20/33/60/1384203360.db2.gz HHAWTDQIIYCXDP-UHFFFAOYSA-N -1 3 338.654 3.345 10 30 EGEEHM CCOC(=O)c1sc([N-]C(=O)c2cscc2C#N)c(C#N)c1C ZINC001351254339 1391617179 /nfs/dbraw/zinc/61/71/79/1391617179.db2.gz CRXNGXNGGBFTEU-UHFFFAOYSA-N -1 3 345.405 3.290 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001497743728 1396818613 /nfs/dbraw/zinc/81/86/13/1396818613.db2.gz KTXIVTVSQBXZEV-INIZCTEOSA-N -1 3 344.455 3.202 10 30 EGEEHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1CC ZINC001689498403 1403816889 /nfs/dbraw/zinc/81/68/89/1403816889.db2.gz VAOHRQAXTKDIBN-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NCCC1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC001702062031 1415486985 /nfs/dbraw/zinc/48/69/85/1415486985.db2.gz PBHGTNNKLQOKFA-UHFFFAOYSA-N -1 3 342.439 3.027 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)CCC1 ZINC001704839925 1416795081 /nfs/dbraw/zinc/79/50/81/1416795081.db2.gz YYIWQFADTGGCGB-INIZCTEOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001735378092 1438471310 /nfs/dbraw/zinc/47/13/10/1438471310.db2.gz FVCDYJMPFVOTCY-HUUCEWRRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001735379965 1438472512 /nfs/dbraw/zinc/47/25/12/1438472512.db2.gz WTMAHJPVQFSUFA-HUUCEWRRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447392 1438490490 /nfs/dbraw/zinc/49/04/90/1438490490.db2.gz JJHGRXXCLRCFPT-RHSMWYFYSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001739199701 1439296392 /nfs/dbraw/zinc/29/63/92/1439296392.db2.gz VOOGFURHRIAFKY-LSDHHAIUSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CCCCC(=O)NC[C@@]1(C)CCCN(C(=O)c2ccccc2[O-])C1 ZINC001748233357 1440085386 /nfs/dbraw/zinc/08/53/86/1440085386.db2.gz GXLACUPBQGHUFT-HXUWFJFHSA-N -1 3 344.455 3.107 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCC[C@@H](C)C1 ZINC000115277846 152004232 /nfs/dbraw/zinc/00/42/32/152004232.db2.gz PWXFRALHUIGOLA-CJNGLKHVSA-N -1 3 343.471 3.129 10 30 EGEEHM COc1cccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000175007810 455419861 /nfs/dbraw/zinc/41/98/61/455419861.db2.gz PGTFLWQNADDKHQ-UHFFFAOYSA-N -1 3 349.308 3.201 10 30 EGEEHM Cc1ccc([O-])c[n+]1C(C(=O)c1ccccc1)C(=S)[N-]C1(C)CC1 ZINC000284069780 455631586 /nfs/dbraw/zinc/63/15/86/455631586.db2.gz JYKUTTAWEQXFLD-UHFFFAOYSA-O -1 3 341.456 3.069 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H]1[C@H](C)CCC[C@@H]1C ZINC000253534703 455851852 /nfs/dbraw/zinc/85/18/52/455851852.db2.gz YZFDQWPDMUUBNQ-WURKVNMJSA-N -1 3 343.471 3.491 10 30 EGEEHM O=C1ON=C(c2ccccc2)/C1=C\c1cc(Br)ccc1[O-] ZINC000230163623 456134007 /nfs/dbraw/zinc/13/40/07/456134007.db2.gz BMIZJQOQSHQQME-UKTHLTGXSA-N -1 3 344.164 3.499 10 30 EGEEHM CCC(CC)c1cc(C[N-]S(=O)(=O)CC2(C#N)CCCC2)on1 ZINC000352910703 456407577 /nfs/dbraw/zinc/40/75/77/456407577.db2.gz YYACRHNGJWKWAY-UHFFFAOYSA-N -1 3 339.461 3.082 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000304363837 456512733 /nfs/dbraw/zinc/51/27/33/456512733.db2.gz YYWWFGGLFNYWTE-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM COc1cc(CNCc2cc([O-])ccc2Br)ccc1C#N ZINC000353223815 456571531 /nfs/dbraw/zinc/57/15/31/456571531.db2.gz JAJFAYBOERWQCL-UHFFFAOYSA-N -1 3 347.212 3.325 10 30 EGEEHM CCc1c(C)nn(-c2cccc(C([O-])=C(C#N)c3ccncn3)c2)c1C ZINC000354481187 457250454 /nfs/dbraw/zinc/25/04/54/457250454.db2.gz XZPWLVPASUTIMQ-SFHVURJKSA-N -1 3 345.406 3.332 10 30 EGEEHM N#Cc1ccc(Oc2cccc(C(=O)NCc3ncccc3[O-])c2)cc1 ZINC000352498951 457418971 /nfs/dbraw/zinc/41/89/71/457418971.db2.gz CNAALACRCNXYFB-UHFFFAOYSA-N -1 3 345.358 3.381 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)[C@H](C)c1nc(C)cc(=O)[n-]1 ZINC000411197087 457826509 /nfs/dbraw/zinc/82/65/09/457826509.db2.gz VIGXCNLPWDLNTI-CYBMUJFWSA-N -1 3 328.372 3.148 10 30 EGEEHM C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(C#N)cc1 ZINC000436680917 458359659 /nfs/dbraw/zinc/35/96/59/458359659.db2.gz LCTMTSKSACDTML-LBPRGKRZSA-N -1 3 336.391 3.468 10 30 EGEEHM Cc1csc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594481717 459056498 /nfs/dbraw/zinc/05/64/98/459056498.db2.gz PCZDMCHAZFJGBU-UHFFFAOYSA-N -1 3 332.450 3.286 10 30 EGEEHM Cc1ccc(F)c(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594492908 459059094 /nfs/dbraw/zinc/05/90/94/459059094.db2.gz HKWWYQNZIXVGSX-UHFFFAOYSA-N -1 3 344.411 3.364 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(F)(F)F ZINC000558684817 459197081 /nfs/dbraw/zinc/19/70/81/459197081.db2.gz VTGFGLUAWIPOFG-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM N#CCCC[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000580211143 459257579 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O=C1[N-]c2c(c(Cl)ccc2F)C1=NNCc1ccc(F)cc1F ZINC000727060728 574638898 /nfs/dbraw/zinc/63/88/98/574638898.db2.gz WZVQCGKJJWYTEB-UHFFFAOYSA-N -1 3 339.704 3.203 10 30 EGEEHM Cc1ncc(CO)c(/C=N\[C@H](C)c2ccc(C(F)(F)F)nc2)c1[O-] ZINC000871597214 1296447258 /nfs/dbraw/zinc/44/72/58/1296447258.db2.gz MOWPJJPRORVNTG-DWHIXFDXSA-N -1 3 339.317 3.182 10 30 EGEEHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000928698819 1328399428 /nfs/dbraw/zinc/39/94/28/1328399428.db2.gz VUOKZRBARWXALF-UHFFFAOYSA-N -1 3 326.371 3.083 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000862638718 1329500708 /nfs/dbraw/zinc/50/07/08/1329500708.db2.gz ZVGSWZNNKCJZGB-ZYHUDNBSSA-N -1 3 335.272 3.249 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(C)(F)F ZINC000867786972 1330220454 /nfs/dbraw/zinc/22/04/54/1330220454.db2.gz QWMGGIDTYDLDGH-UHFFFAOYSA-N -1 3 336.791 3.171 10 30 EGEEHM O=c1[n-]c(C2CC2)nc2c1CN(CC#Cc1ccccc1Cl)C2 ZINC001197467810 1368821797 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C=C(C)CO[N-]C(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C ZINC001144640504 1378754330 /nfs/dbraw/zinc/75/43/30/1378754330.db2.gz ZSEFIUPNAVKZCM-AWEZNQCLSA-N -1 3 328.453 3.187 10 30 EGEEHM C=C[C@H](CC)CC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001297573663 1383187496 /nfs/dbraw/zinc/18/74/96/1383187496.db2.gz CFBUGRHFYGEORO-VLIAUNLRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001299681752 1383611410 /nfs/dbraw/zinc/61/14/10/1383611410.db2.gz CYPIAKIFVOSOCU-HXUWFJFHSA-N -1 3 344.455 3.107 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001306896690 1383917004 /nfs/dbraw/zinc/91/70/04/1383917004.db2.gz JAZJTMIRXIFZTH-CQSZACIVSA-N -1 3 336.407 3.367 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCc2ccsc2[C@@H]1C ZINC001340380007 1390279983 /nfs/dbraw/zinc/27/99/83/1390279983.db2.gz KPPMHJIDWRZBNW-JTQLQIEISA-N -1 3 343.412 3.010 10 30 EGEEHM C=C(C)Cn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C1CC1 ZINC001342381829 1390607133 /nfs/dbraw/zinc/60/71/33/1390607133.db2.gz UIYBQFNDVFALGH-UHFFFAOYSA-N -1 3 341.440 3.435 10 30 EGEEHM C=CCCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccccc1[O-] ZINC001344577588 1390800643 /nfs/dbraw/zinc/80/06/43/1390800643.db2.gz OZNDCCZAKZVJPY-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM N#CC(=C([O-])c1ccc(CN2CCCCC2)o1)c1ncc(F)cc1F ZINC001346764474 1390978080 /nfs/dbraw/zinc/97/80/80/1390978080.db2.gz PQEPXYMJXIARPT-AWEZNQCLSA-N -1 3 345.349 3.429 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001704605441 1416615144 /nfs/dbraw/zinc/61/51/44/1416615144.db2.gz GHYRNXWFQCJTPP-JKSUJKDBSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720572569 1422712960 /nfs/dbraw/zinc/71/29/60/1422712960.db2.gz FYYPHBFJKVFWKM-HOCLYGCPSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721442156 1423342519 /nfs/dbraw/zinc/34/25/19/1423342519.db2.gz BJYLHSHXXPPMCF-HZPDHXFCSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCNc1ncnc([N-]c2nc3ccc(OC)cc3s2)c1N ZINC000040709035 213373799 /nfs/dbraw/zinc/37/37/99/213373799.db2.gz CKCYWAQYKFTCFD-UHFFFAOYSA-N -1 3 328.401 3.019 10 30 EGEEHM COc1c([O-])ccc2c1nc(C(C)C)n(-c1ccc(C#N)cc1)c2=O ZINC000039124346 286187055 /nfs/dbraw/zinc/18/70/55/286187055.db2.gz NRLBHPLWMGCODT-UHFFFAOYSA-N -1 3 335.363 3.095 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1C#N ZINC000318608207 154160251 /nfs/dbraw/zinc/16/02/51/154160251.db2.gz WOXFRAJGTUIDAP-UHFFFAOYSA-N -1 3 326.299 3.085 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(F)c(Cl)cc2F)s1 ZINC000435426458 268257299 /nfs/dbraw/zinc/25/72/99/268257299.db2.gz IGKWLZLIOHXZSX-UHFFFAOYSA-N -1 3 348.783 3.030 10 30 EGEEHM N#Cc1cccnc1-n1cc(NCc2cc(Cl)ccc2[O-])cn1 ZINC000185838212 268287036 /nfs/dbraw/zinc/28/70/36/268287036.db2.gz YPQLUVYCBRZVGO-UHFFFAOYSA-N -1 3 325.759 3.110 10 30 EGEEHM COCc1nc(C(=O)[N-]c2nc(-c3cccc(C#N)c3)cs2)co1 ZINC000547860409 314949231 /nfs/dbraw/zinc/94/92/31/314949231.db2.gz LMUPEKMYWVRGHJ-UHFFFAOYSA-N -1 3 340.364 3.068 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1 ZINC000447878540 458361079 /nfs/dbraw/zinc/36/10/79/458361079.db2.gz MFKCQOVZNZLVLF-UHFFFAOYSA-N -1 3 328.484 3.425 10 30 EGEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)[N-]c1nnc(C(C)C)s1 ZINC000016966003 453625554 /nfs/dbraw/zinc/62/55/54/453625554.db2.gz UCNJAZDOAGXHFT-UHFFFAOYSA-N -1 3 341.396 3.478 10 30 EGEEHM O=C(CCCC1CCN(C(=O)c2cccc3ccccc32)CC1)N[O-] ZINC000036475714 453928273 /nfs/dbraw/zinc/92/82/73/453928273.db2.gz WZPBHGPFPNXYRH-UHFFFAOYSA-N -1 3 340.423 3.368 10 30 EGEEHM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1ccccn1 ZINC000083764288 453959171 /nfs/dbraw/zinc/95/91/71/453959171.db2.gz OFBLTQNSBBQTSZ-OAHLLOKOSA-N -1 3 330.347 3.499 10 30 EGEEHM N#Cc1ccc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)c(F)c1 ZINC000189447958 455197819 /nfs/dbraw/zinc/19/78/19/455197819.db2.gz DGCZLYLTRRIUQQ-UHFFFAOYSA-N -1 3 338.260 3.352 10 30 EGEEHM C#CCC(CC#C)C(=O)N(CC)Cc1cc(Br)ccc1[O-] ZINC000277989258 455727840 /nfs/dbraw/zinc/72/78/40/455727840.db2.gz CUPHVFMHTRJALS-UHFFFAOYSA-N -1 3 348.240 3.166 10 30 EGEEHM C=CCN(CCC#N)Cc1cc(Br)c([O-])c(OCC)c1 ZINC000297315675 456183301 /nfs/dbraw/zinc/18/33/01/456183301.db2.gz CGRZMXGYXOCLCW-UHFFFAOYSA-N -1 3 339.233 3.455 10 30 EGEEHM Cc1nn(C(C)(C)C)cc1[C@@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000274296552 456254985 /nfs/dbraw/zinc/25/49/85/456254985.db2.gz AFTRXZHHAAFEJO-VNQCRBAESA-N -1 3 330.432 3.028 10 30 EGEEHM Cc1c(C[N-]S(=O)(=O)CC2(C#N)CCCC2)oc2ccccc12 ZINC000352897486 456399086 /nfs/dbraw/zinc/39/90/86/456399086.db2.gz OZQSHBAGMUQYCQ-UHFFFAOYSA-N -1 3 332.425 3.245 10 30 EGEEHM CSc1nc([O-])c(C(=O)Nc2cccc3ncccc32)cc1C#N ZINC000349797940 457055218 /nfs/dbraw/zinc/05/52/18/457055218.db2.gz CTRZVIQZIGYDIC-UHFFFAOYSA-N -1 3 336.376 3.181 10 30 EGEEHM COc1cc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc(Cl)c1[O-] ZINC000331292501 457162194 /nfs/dbraw/zinc/16/21/94/457162194.db2.gz QIMKSRULOAVNKA-VXGBXAGGSA-N -1 3 340.851 3.479 10 30 EGEEHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000357561213 457596318 /nfs/dbraw/zinc/59/63/18/457596318.db2.gz USMALCPJHUZWCS-CYBMUJFWSA-N -1 3 333.240 3.105 10 30 EGEEHM CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356419988 457617321 /nfs/dbraw/zinc/61/73/21/457617321.db2.gz NWYQJZSOJPHFQA-MRXNPFEDSA-N -1 3 338.791 3.246 10 30 EGEEHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000435590056 458167560 /nfs/dbraw/zinc/16/75/60/458167560.db2.gz UNOGOXVPUKHZPE-IAQYHMDHSA-N -1 3 347.839 3.047 10 30 EGEEHM C[C@@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)c1ccc(C#N)cc1 ZINC000436680916 458359501 /nfs/dbraw/zinc/35/95/01/458359501.db2.gz LCTMTSKSACDTML-GFCCVEGCSA-N -1 3 336.391 3.468 10 30 EGEEHM CCN=c1[n-]c(C(=O)N[C@@H](CCCC#N)c2ccccc2)cs1 ZINC000452138475 458494901 /nfs/dbraw/zinc/49/49/01/458494901.db2.gz IZLJZSCWXFVBSY-AWEZNQCLSA-N -1 3 328.441 3.162 10 30 EGEEHM Cc1cc(C#N)nc(Sc2n[n-]c(-c3ccc(Cl)cc3)n2)n1 ZINC000557475364 459074318 /nfs/dbraw/zinc/07/43/18/459074318.db2.gz IEYMURVSROBOHK-UHFFFAOYSA-N -1 3 328.788 3.246 10 30 EGEEHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C#N)CCCCC1 ZINC000594884251 459166737 /nfs/dbraw/zinc/16/67/37/459166737.db2.gz KVHFVWSJNFBHEP-UHFFFAOYSA-N -1 3 342.848 3.101 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC000592108142 459525872 /nfs/dbraw/zinc/52/58/72/459525872.db2.gz LWXQXHBUCZOPPK-SDDRHHMPSA-N -1 3 344.358 3.044 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1C[C@H](C)C[C@@H](C)C1 ZINC000597979543 460134548 /nfs/dbraw/zinc/13/45/48/460134548.db2.gz NLUAQBWNSZUBAG-CHWSQXEVSA-N -1 3 343.471 3.397 10 30 EGEEHM C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615479523 460336337 /nfs/dbraw/zinc/33/63/37/460336337.db2.gz HLUUKFUGJXIWIV-MRXNPFEDSA-N -1 3 349.434 3.000 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@H]1CC=CCC1 ZINC000600393055 460489157 /nfs/dbraw/zinc/48/91/57/460489157.db2.gz HGQBBCNJNXVALN-HNNXBMFYSA-N -1 3 327.428 3.071 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)c2cccnc2C(F)(F)F)CCCC1 ZINC000657190111 461983436 /nfs/dbraw/zinc/98/34/36/461983436.db2.gz RGXGEYKJHSRSRC-UHFFFAOYSA-N -1 3 334.363 3.268 10 30 EGEEHM COc1ccc(-c2csc(=NN=Cc3ccco3)[n-]2)cc1OC ZINC000033340452 523158921 /nfs/dbraw/zinc/15/89/21/523158921.db2.gz XWKWPYUFFVUBGB-MFOYZWKCSA-N -1 3 329.381 3.288 10 30 EGEEHM C=CCOCC[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000679477243 549715961 /nfs/dbraw/zinc/71/59/61/549715961.db2.gz OWINPRFTNWACCB-UHFFFAOYSA-N -1 3 338.256 3.091 10 30 EGEEHM Cc1ccc([O-])c(C=NN2C(=S)N=NC2c2cccc(Cl)c2)n1 ZINC000728779457 574770607 /nfs/dbraw/zinc/77/06/07/574770607.db2.gz NINQLKVBTPSIIP-UHFFFAOYSA-N -1 3 345.815 3.178 10 30 EGEEHM N#C[C@H]1CN(Cc2cc3oc4ccccc4c3cc2[O-])CCN1C1CC1 ZINC000732665969 575281686 /nfs/dbraw/zinc/28/16/86/575281686.db2.gz CBHOSXSOMSGOKF-INIZCTEOSA-N -1 3 347.418 3.464 10 30 EGEEHM O=C([N-]CC(F)(C(F)(F)F)C(F)(F)F)[C@@H]1C[C@H]1C(F)(F)F ZINC001184031160 1387383118 /nfs/dbraw/zinc/38/31/18/1387383118.db2.gz HJFDMHFTEWRDNU-QWWZWVQMSA-N -1 3 335.141 3.134 10 30 EGEEHM O=C(c1ccc(Cn2ccnn2)o1)N([O-])Cc1cccc2ccccc21 ZINC001184340454 1387433195 /nfs/dbraw/zinc/43/31/95/1387433195.db2.gz MTLMEDGHWYAYFM-UHFFFAOYSA-N -1 3 348.362 3.104 10 30 EGEEHM CC(C)N=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccoc1 ZINC001325858857 1388056793 /nfs/dbraw/zinc/05/67/93/1388056793.db2.gz DODNZOYRKVULEJ-UHFFFAOYSA-N -1 3 343.408 3.412 10 30 EGEEHM C#C[C@@H](CC)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC001211719659 1372607709 /nfs/dbraw/zinc/60/77/09/1372607709.db2.gz PADQUEBTNDJFDT-LBPRGKRZSA-N -1 3 340.857 3.154 10 30 EGEEHM CCC(CC)(CC)C(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306893346 1383915901 /nfs/dbraw/zinc/91/59/01/1383915901.db2.gz UQKIRYKLGNEUKB-UHFFFAOYSA-N -1 3 346.427 3.107 10 30 EGEEHM C=CCn1cc2ccc(NC(=O)Cc3ccc([O-])c(F)c3)cc2n1 ZINC001178765686 1386297754 /nfs/dbraw/zinc/29/77/54/1386297754.db2.gz OUCUQYPBVZIXIH-UHFFFAOYSA-N -1 3 325.343 3.248 10 30 EGEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001340733789 1390355423 /nfs/dbraw/zinc/35/54/23/1390355423.db2.gz TXCZGQYWCYKYAD-LLVKDONJSA-N -1 3 343.822 3.100 10 30 EGEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001340733789 1390355425 /nfs/dbraw/zinc/35/54/25/1390355425.db2.gz TXCZGQYWCYKYAD-LLVKDONJSA-N -1 3 343.822 3.100 10 30 EGEEHM C=CCCCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC(C)C ZINC001344500149 1390795549 /nfs/dbraw/zinc/79/55/49/1390795549.db2.gz NLGJUDNMIBGPMC-UHFFFAOYSA-N -1 3 344.463 3.198 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001701793219 1415266244 /nfs/dbraw/zinc/26/62/44/1415266244.db2.gz AMPGIGYPWABPBP-ZBFHGGJFSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001718451217 1421991855 /nfs/dbraw/zinc/99/18/55/1421991855.db2.gz PLYXOYQFAMTMIZ-HNNXBMFYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCCCC(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001721955409 1423878199 /nfs/dbraw/zinc/87/81/99/1423878199.db2.gz IZWSQLQSKPHVFJ-WBVHZDCISA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001737418705 1438786098 /nfs/dbraw/zinc/78/60/98/1438786098.db2.gz NVVZIHDYCNHECY-INIZCTEOSA-N -1 3 344.455 3.059 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)cn1 ZINC000115374937 152011164 /nfs/dbraw/zinc/01/11/64/152011164.db2.gz YNKGYIKXDJNWMO-UHFFFAOYSA-N -1 3 339.405 3.208 10 30 EGEEHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2ccccc2Cl)n1 ZINC000118493682 152141632 /nfs/dbraw/zinc/14/16/32/152141632.db2.gz VRYXLRGUBAHKFQ-UHFFFAOYSA-N -1 3 329.772 3.311 10 30 EGEEHM Cc1ccc([O-])c(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)n1 ZINC000345936715 164299189 /nfs/dbraw/zinc/29/91/89/164299189.db2.gz JSILIPFITVNHQL-INIZCTEOSA-N -1 3 325.368 3.009 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cccnc2)C2CC2)c(Cl)c1 ZINC000355717167 166289060 /nfs/dbraw/zinc/28/90/60/166289060.db2.gz JRAKISBWQCXIIJ-MRXNPFEDSA-N -1 3 347.827 3.036 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000295249672 455842706 /nfs/dbraw/zinc/84/27/06/455842706.db2.gz FVTXVDOKGYESHA-UHFFFAOYSA-N -1 3 338.232 3.441 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c(F)c1F ZINC000600668650 460561973 /nfs/dbraw/zinc/56/19/73/460561973.db2.gz RYKPEYFPOZZVQM-MEBBXXQBSA-N -1 3 328.384 3.024 10 30 EGEEHM CCCc1cc(=O)[n-]c(NC(=N)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000018165111 453645811 /nfs/dbraw/zinc/64/58/11/453645811.db2.gz MJDWIYISGDQXBL-UHFFFAOYSA-N -1 3 340.214 3.088 10 30 EGEEHM CCCc1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1F ZINC000076089810 453961835 /nfs/dbraw/zinc/96/18/35/453961835.db2.gz BXUCOINNJCYVHA-CYBMUJFWSA-N -1 3 349.369 3.244 10 30 EGEEHM Cc1ccc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cc1F ZINC000058168319 454167885 /nfs/dbraw/zinc/16/78/85/454167885.db2.gz GCMQLEGGUREDFE-OAHLLOKOSA-N -1 3 334.354 3.420 10 30 EGEEHM COc1ccc([O-])c(C(=O)Nc2n[nH]c(-c3ccccc3Cl)n2)c1 ZINC000078354833 454238464 /nfs/dbraw/zinc/23/84/64/454238464.db2.gz KSPOTZRCUSIIOW-UHFFFAOYSA-N -1 3 344.758 3.476 10 30 EGEEHM N#CC(=C([O-])C=Cc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 ZINC000049456595 454549807 /nfs/dbraw/zinc/54/98/07/454549807.db2.gz INICJPTZVWOPMN-ZFDPJTLLSA-N -1 3 340.766 3.396 10 30 EGEEHM C[C@@H](C#N)Oc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000182578601 455545817 /nfs/dbraw/zinc/54/58/17/455545817.db2.gz MSAKDNXEPOSCTO-VIFPVBQESA-N -1 3 338.289 3.104 10 30 EGEEHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(-n3cncn3)cc2)n1 ZINC000353855174 456937103 /nfs/dbraw/zinc/93/71/03/456937103.db2.gz AYRUNAZQWPYXSX-AWEZNQCLSA-N -1 3 337.408 3.337 10 30 EGEEHM COc1ccc(C([O-])=C(C#N)c2nc3[nH]ccc(C)c-3n2)cc1Cl ZINC000345495908 456980965 /nfs/dbraw/zinc/98/09/65/456980965.db2.gz WJTBTRSBOSNNSY-NSHDSACASA-N -1 3 340.770 3.418 10 30 EGEEHM N#CCCN(Cc1ccccn1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000349543142 456984237 /nfs/dbraw/zinc/98/42/37/456984237.db2.gz FRGYIGNASSDKRV-UHFFFAOYSA-N -1 3 331.375 3.496 10 30 EGEEHM C=CCSc1ccccc1C(=O)N=c1cc(-c2ccncc2)[n-][nH]1 ZINC000362848172 457122593 /nfs/dbraw/zinc/12/25/93/457122593.db2.gz AITBLNVXVFEYFV-UHFFFAOYSA-N -1 3 336.420 3.424 10 30 EGEEHM C=CCN(CC=C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000346820819 457178960 /nfs/dbraw/zinc/17/89/60/457178960.db2.gz LVFBITMWEKBSCI-UHFFFAOYSA-N -1 3 347.212 3.105 10 30 EGEEHM C=CCN(CC=C)C(=O)c1cnc2ccc(Br)cc2c1[O-] ZINC000346820819 457178961 /nfs/dbraw/zinc/17/89/61/457178961.db2.gz LVFBITMWEKBSCI-UHFFFAOYSA-N -1 3 347.212 3.105 10 30 EGEEHM CC(=O)NCc1ccc(C([O-])=C(C#N)c2nccc3ccccc32)cc1 ZINC000361522189 457768415 /nfs/dbraw/zinc/76/84/15/457768415.db2.gz ADCFQTLQQIGSFZ-LJQANCHMSA-N -1 3 343.386 3.361 10 30 EGEEHM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nccc2ccccc21 ZINC000361529609 457772704 /nfs/dbraw/zinc/77/27/04/457772704.db2.gz FSIYWDQYYXCMAP-MRXNPFEDSA-N -1 3 330.347 3.215 10 30 EGEEHM Cn1c2cc(C([O-])=C(C#N)c3nccc4ccccc43)ccc2[nH]c1=O ZINC000361541334 457782086 /nfs/dbraw/zinc/78/20/86/457782086.db2.gz OHHZYANFDGAUNM-HNNXBMFYSA-N -1 3 342.358 3.317 10 30 EGEEHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccs1 ZINC000428241585 458104827 /nfs/dbraw/zinc/10/48/27/458104827.db2.gz RJRDWJMPHYSAKG-GFCCVEGCSA-N -1 3 335.454 3.080 10 30 EGEEHM COc1ccc(C#N)cc1NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000436547330 458328745 /nfs/dbraw/zinc/32/87/45/458328745.db2.gz WWHYAWUYQYGSLR-UHFFFAOYSA-N -1 3 338.363 3.238 10 30 EGEEHM COC(=O)c1ccnc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)c1 ZINC000415723878 458333186 /nfs/dbraw/zinc/33/31/86/458333186.db2.gz JDMSMGGMPJSNBM-UHFFFAOYSA-N -1 3 343.408 3.351 10 30 EGEEHM COCc1nc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)co1 ZINC000547518663 458754943 /nfs/dbraw/zinc/75/49/43/458754943.db2.gz VONZCVWMRRTRPV-NSHDSACASA-N -1 3 331.397 3.325 10 30 EGEEHM C=CCC[C@@H](C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1)c1ccccc1 ZINC000473848016 458845849 /nfs/dbraw/zinc/84/58/49/458845849.db2.gz FHPGWKONMJFFMW-WBVHZDCISA-N -1 3 325.412 3.372 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@@H](C)F ZINC000594776981 459154762 /nfs/dbraw/zinc/15/47/62/459154762.db2.gz ROIFUEVDXDTJGY-SECBINFHSA-N -1 3 326.418 3.108 10 30 EGEEHM CC[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccsc1C#N ZINC000594791436 459156227 /nfs/dbraw/zinc/15/62/27/459156227.db2.gz MNWJTQOFZTWMPJ-CYBMUJFWSA-N -1 3 338.429 3.058 10 30 EGEEHM C[C@@H]1CCc2c(C#N)c([N-]C(=O)c3cn(C4CCC4)nn3)sc2C1 ZINC000592572132 459631920 /nfs/dbraw/zinc/63/19/20/459631920.db2.gz FTIKZVGSEFFLHT-SNVBAGLBSA-N -1 3 341.440 3.313 10 30 EGEEHM C=CCN(CC(F)(F)F)C(=O)c1cc([O-])cc(Br)c1 ZINC000528304681 459802893 /nfs/dbraw/zinc/80/28/93/459802893.db2.gz VGLGPPZXSHLIGB-UHFFFAOYSA-N -1 3 338.123 3.345 10 30 EGEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCC2)cc1 ZINC000593277994 459827554 /nfs/dbraw/zinc/82/75/54/459827554.db2.gz APCUYTFQDLHKPB-UHFFFAOYSA-N -1 3 346.374 3.251 10 30 EGEEHM CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610087174 460061067 /nfs/dbraw/zinc/06/10/67/460061067.db2.gz SMQUVVUKIOHDLA-SNVBAGLBSA-N -1 3 334.363 3.147 10 30 EGEEHM Cc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1[O-] ZINC000598245842 460220053 /nfs/dbraw/zinc/22/00/53/460220053.db2.gz JUMYCKYTHLTIBP-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(OC(F)(F)F)cc1 ZINC000915957995 1319570904 /nfs/dbraw/zinc/57/09/04/1319570904.db2.gz GYSUERFYPFCBRC-UHFFFAOYSA-N -1 3 337.257 3.059 10 30 EGEEHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Br)o2)nc(C)n1 ZINC000916879639 1319720527 /nfs/dbraw/zinc/72/05/27/1319720527.db2.gz CJQMERGVELWPDL-KTLBGCOUSA-N -1 3 346.184 3.339 10 30 EGEEHM C[C@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(C#N)c1[O-] ZINC000866372997 1330103369 /nfs/dbraw/zinc/10/33/69/1330103369.db2.gz UBIYZWSTOUPDOI-RMLVOYDJSA-N -1 3 344.436 3.249 10 30 EGEEHM O=C(CCc1cccc2c1OCO2)N([O-])Cc1ccccc1Cl ZINC001184283856 1387422658 /nfs/dbraw/zinc/42/26/58/1387422658.db2.gz SWDISGFBSKNXLB-UHFFFAOYSA-N -1 3 333.771 3.419 10 30 EGEEHM CCCCCCN([O-])C(=O)CCn1c2ccccc2n(CCC)c1=O ZINC001184305454 1387424976 /nfs/dbraw/zinc/42/49/76/1387424976.db2.gz JZMCLLIDUBMOMP-UHFFFAOYSA-N -1 3 347.459 3.401 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001213218275 1372863152 /nfs/dbraw/zinc/86/31/52/1372863152.db2.gz LYECJVBFQGYPFO-UHFFFAOYSA-N -1 3 332.809 3.129 10 30 EGEEHM C#C[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC001138445661 1377725409 /nfs/dbraw/zinc/72/54/09/1377725409.db2.gz CWTSUWCCWFXCCV-TZIWHRDSSA-N -1 3 349.430 3.088 10 30 EGEEHM C#C[C@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)c1ccccc1 ZINC001143136344 1378544886 /nfs/dbraw/zinc/54/48/86/1378544886.db2.gz OYFPHQDFHNVOKG-INIZCTEOSA-N -1 3 336.778 3.286 10 30 EGEEHM C=CCC1(C(=O)NCC[C@@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001284442144 1379848041 /nfs/dbraw/zinc/84/80/41/1379848041.db2.gz WKGLUMDXALKIFF-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCCCC(=O)NC1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001285415758 1380391614 /nfs/dbraw/zinc/39/16/14/1380391614.db2.gz NFGBDFVULUQPPN-UHFFFAOYSA-N -1 3 344.455 3.248 10 30 EGEEHM C#C[C@@](C)(CC)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001158491416 1381266138 /nfs/dbraw/zinc/26/61/38/1381266138.db2.gz BBZYOJOTFVZXAQ-ZDUSSCGKSA-N -1 3 330.172 3.459 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(CCN(C)C(=O)c1ccccc1[O-])C(C)C ZINC001288178364 1381639613 /nfs/dbraw/zinc/63/96/13/1381639613.db2.gz NAWOLXVETQCWEI-INIZCTEOSA-N -1 3 346.471 3.304 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001288786350 1381938844 /nfs/dbraw/zinc/93/88/44/1381938844.db2.gz RCQFGUQAIPCIKW-IBGZPJMESA-N -1 3 344.455 3.011 10 30 EGEEHM O=C(c1ccc(N2CCOC2=O)cc1)N([O-])Cc1ccccc1Cl ZINC001161802329 1382510749 /nfs/dbraw/zinc/51/07/49/1382510749.db2.gz RGYBALMICRKDTL-UHFFFAOYSA-N -1 3 346.770 3.328 10 30 EGEEHM O=C([C@@H]1Cc2ccccc2C(=O)O1)N([O-])CCCCc1ccccc1 ZINC001161807901 1382513328 /nfs/dbraw/zinc/51/33/28/1382513328.db2.gz QUJYVKJRWZKFKM-SFHVURJKSA-N -1 3 339.391 3.009 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001161826592 1382521702 /nfs/dbraw/zinc/52/17/02/1382521702.db2.gz GUGSWDRKWUUFES-LJISPDSOSA-N -1 3 340.464 3.334 10 30 EGEEHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)c2cccc(C#N)c2)c1 ZINC001166443144 1383422956 /nfs/dbraw/zinc/42/29/56/1383422956.db2.gz BMPXKCLAPPAHNH-UHFFFAOYSA-N -1 3 349.390 3.053 10 30 EGEEHM N#CC1(CNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCCCC1 ZINC001300938529 1383686891 /nfs/dbraw/zinc/68/68/91/1383686891.db2.gz PCAVIDICGPOGPX-UHFFFAOYSA-N -1 3 345.349 3.010 10 30 EGEEHM O=C(c1ccc2c(c1)CCC(=O)N2)N([O-])Cc1ccccc1Cl ZINC001306892942 1383916291 /nfs/dbraw/zinc/91/62/91/1383916291.db2.gz OMXLWQQWHKUBIX-UHFFFAOYSA-N -1 3 330.771 3.256 10 30 EGEEHM CCCCN([O-])C(=O)[C@H]1CCCC[C@]1(C)NC(=O)OC(C)(C)C ZINC001306897605 1383916671 /nfs/dbraw/zinc/91/66/71/1383916671.db2.gz UUIAYDBOXWTHNM-DYVFJYSZSA-N -1 3 328.453 3.478 10 30 EGEEHM O=C(c1cncn1-c1ccc(F)cc1)N([O-])Cc1ccc(F)cc1 ZINC001306900111 1383917560 /nfs/dbraw/zinc/91/75/60/1383917560.db2.gz JITLTWICZAIQFU-UHFFFAOYSA-N -1 3 329.306 3.182 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001338699042 1389735488 /nfs/dbraw/zinc/73/54/88/1389735488.db2.gz BSPYBQATEYOEJQ-UHFFFAOYSA-N -1 3 346.471 3.304 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001701882080 1415328759 /nfs/dbraw/zinc/32/87/59/1415328759.db2.gz FUBGFKBLPPLJKP-MRXNPFEDSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001704829350 1416785893 /nfs/dbraw/zinc/78/58/93/1416785893.db2.gz ZTVDQGFQCAMVLD-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM N#CCNC[C@@H](NC(=O)c1ccccc1[O-])c1ccc2ccccc2c1 ZINC001716812941 1420938493 /nfs/dbraw/zinc/93/84/93/1420938493.db2.gz VTVAKMNJDMHYBI-LJQANCHMSA-N -1 3 345.402 3.130 10 30 EGEEHM C=C[C@H](CC)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718801907 1422112502 /nfs/dbraw/zinc/11/25/02/1422112502.db2.gz OBEQNCHEMCXHFP-RHSMWYFYSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(CC)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721442154 1423342705 /nfs/dbraw/zinc/34/27/05/1423342705.db2.gz BJYLHSHXXPPMCF-CVEARBPZSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001738605288 1439152260 /nfs/dbraw/zinc/15/22/60/1439152260.db2.gz XIUZYTXSMAPSJN-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001746715458 1439927801 /nfs/dbraw/zinc/92/78/01/1439927801.db2.gz QFUIGSYVWUSHSF-KRWDZBQOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001747610813 1439999461 /nfs/dbraw/zinc/99/94/61/1439999461.db2.gz DVTUNZCZTKQKSD-DOTOQJQBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1[O-] ZINC001758687896 1441171913 /nfs/dbraw/zinc/17/19/13/1441171913.db2.gz FFQZHCCHDRSCAL-MQVJKMGUSA-N -1 3 342.439 3.000 10 30 EGEEHM CSc1nc([O-])c(C(=O)Nc2nc3ccsc3s2)cc1C#N ZINC000344703093 144211797 /nfs/dbraw/zinc/21/17/97/144211797.db2.gz MWWYTLZPAHFFSX-UHFFFAOYSA-N -1 3 348.434 3.304 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCC(C)(C)C)no1 ZINC000285097308 267628236 /nfs/dbraw/zinc/62/82/36/267628236.db2.gz KTMPAZNSYXTMDY-UHFFFAOYSA-N -1 3 328.416 3.423 10 30 EGEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])cc1F ZINC000180854698 279924171 /nfs/dbraw/zinc/92/41/71/279924171.db2.gz AEBHYSVJFAQBLP-QGZVFWFLSA-N -1 3 328.343 3.445 10 30 EGEEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)C1 ZINC000558491461 315573317 /nfs/dbraw/zinc/57/33/17/315573317.db2.gz BIECCJDFDUWHGR-SHTZXODSSA-N -1 3 344.411 3.230 10 30 EGEEHM C[C@H](Oc1ccccc1C#N)c1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000580267040 325224604 /nfs/dbraw/zinc/22/46/04/325224604.db2.gz YRLAJTLTKYVXAP-JTQLQIEISA-N -1 3 332.323 3.020 10 30 EGEEHM Cc1ccccc1COc1ccc(C=NNc2nc([O-])cs2)cc1 ZINC000254849641 455856368 /nfs/dbraw/zinc/85/63/68/455856368.db2.gz QKGRKKICZOHHJX-UHFFFAOYSA-N -1 3 339.420 3.127 10 30 EGEEHM Cc1ccc([O-])c(CN2CCC(Oc3ccc(C#N)cc3F)CC2)n1 ZINC000289518638 456128963 /nfs/dbraw/zinc/12/89/63/456128963.db2.gz HBJPFVDBCIRWLE-UHFFFAOYSA-N -1 3 341.386 3.150 10 30 EGEEHM COCCOc1ccc(NC(=O)[N-]c2snc(C)c2C#N)c(C)c1 ZINC000297405975 456211815 /nfs/dbraw/zinc/21/18/15/456211815.db2.gz KXLXDFBFYVSMTM-UHFFFAOYSA-N -1 3 346.412 3.301 10 30 EGEEHM C=CCCCC[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000311646903 456589676 /nfs/dbraw/zinc/58/96/76/456589676.db2.gz SOWAXISYBTYNAB-UHFFFAOYSA-N -1 3 348.262 3.092 10 30 EGEEHM C=CCN(Cc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CC1 ZINC000408523890 457578964 /nfs/dbraw/zinc/57/89/64/457578964.db2.gz OHPDANCAFYUMBD-UHFFFAOYSA-N -1 3 343.452 3.033 10 30 EGEEHM N#CC(=C([O-])c1cnc2nccnc2c1)c1nccc2ccccc21 ZINC000361530720 457774675 /nfs/dbraw/zinc/77/46/75/457774675.db2.gz KSUPNWWSEDNNQF-OAHLLOKOSA-N -1 3 325.331 3.063 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(CC#N)cc3)cc2)n1 ZINC000367001795 457919772 /nfs/dbraw/zinc/91/97/72/457919772.db2.gz SUKFPJXFYXSCSA-UHFFFAOYSA-N -1 3 344.374 3.064 10 30 EGEEHM COC(=O)c1ccnc(C(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000415348835 458331979 /nfs/dbraw/zinc/33/19/79/458331979.db2.gz KYMFZBYGTGAZPF-UHFFFAOYSA-N -1 3 343.408 3.351 10 30 EGEEHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)o1 ZINC000518035452 458838158 /nfs/dbraw/zinc/83/81/58/458838158.db2.gz NRTDCGPRVCRNDO-IAQYHMDHSA-N -1 3 348.399 3.033 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H]2C[C@H]2C1 ZINC000594784990 459154383 /nfs/dbraw/zinc/15/43/83/459154383.db2.gz GLOUTWBJIQEBHH-CLLJXQQHSA-N -1 3 332.450 3.158 10 30 EGEEHM COc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c1 ZINC000594869505 459164520 /nfs/dbraw/zinc/16/45/20/459164520.db2.gz MGFNLJMFUKWCOY-UHFFFAOYSA-N -1 3 342.848 3.101 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC000574222438 459793657 /nfs/dbraw/zinc/79/36/57/459793657.db2.gz BPULYRJGMCCONU-UHFFFAOYSA-N -1 3 343.346 3.271 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2nc(-c3cc4ccccc4o3)n[n-]2)c1 ZINC000574222438 459793663 /nfs/dbraw/zinc/79/36/63/459793663.db2.gz BPULYRJGMCCONU-UHFFFAOYSA-N -1 3 343.346 3.271 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC000574222438 459793667 /nfs/dbraw/zinc/79/36/67/459793667.db2.gz BPULYRJGMCCONU-UHFFFAOYSA-N -1 3 343.346 3.271 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](C2CCC2)C1 ZINC000598401572 459890783 /nfs/dbraw/zinc/89/07/83/459890783.db2.gz WANJNHBZVWHVQZ-MRXNPFEDSA-N -1 3 341.455 3.247 10 30 EGEEHM COc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cc1 ZINC000593532143 459917260 /nfs/dbraw/zinc/91/72/60/459917260.db2.gz XNQVIQSMTAYDRP-MRXNPFEDSA-N -1 3 348.449 3.058 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cccc21 ZINC000593603786 459931553 /nfs/dbraw/zinc/93/15/53/459931553.db2.gz LIECBBLSVONCOU-ZDUSSCGKSA-N -1 3 336.413 3.115 10 30 EGEEHM C=CCC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)OCC ZINC000598740960 460013926 /nfs/dbraw/zinc/01/39/26/460013926.db2.gz XELJYFGNDDXYAC-CYBMUJFWSA-N -1 3 345.317 3.039 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCC2CCCC2)c(C(F)(F)F)c1 ZINC000604028238 460370536 /nfs/dbraw/zinc/37/05/36/460370536.db2.gz ZYFBHKCUFQSFMA-UHFFFAOYSA-N -1 3 346.374 3.436 10 30 EGEEHM N#CC1(CNC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000600104332 460382685 /nfs/dbraw/zinc/38/26/85/460382685.db2.gz FTYUPOXLLBSOKO-UHFFFAOYSA-N -1 3 337.217 3.359 10 30 EGEEHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028575 576819229 /nfs/dbraw/zinc/81/92/29/576819229.db2.gz KGVACWYCDGXINQ-BTDICHCPSA-N -1 3 332.787 3.271 10 30 EGEEHM C=CC[C@@H]1CCN1C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000890558813 1304815584 /nfs/dbraw/zinc/81/55/84/1304815584.db2.gz HNVQTQAHPMEGNV-LLVKDONJSA-N -1 3 347.212 3.081 10 30 EGEEHM C#CCC1([N-]S(=O)(=O)c2sc(C)cc2Br)CCC1 ZINC000922046991 1322444636 /nfs/dbraw/zinc/44/46/36/1322444636.db2.gz IWTKKJKPYRNTRC-UHFFFAOYSA-N -1 3 348.287 3.043 10 30 EGEEHM C[C@@H](NCc1cccnc1OCC(F)F)c1cccc(C#N)c1[O-] ZINC000866313151 1330095039 /nfs/dbraw/zinc/09/50/39/1330095039.db2.gz XCMMQHYVXIBKTK-LLVKDONJSA-N -1 3 333.338 3.154 10 30 EGEEHM O=C(c1cc(=O)c2ccccc2o1)N([O-])Cc1ccccc1Cl ZINC001184272555 1387421980 /nfs/dbraw/zinc/42/19/80/1387421980.db2.gz JJGDQHMUZWAWEG-UHFFFAOYSA-N -1 3 329.739 3.478 10 30 EGEEHM O=C(CCC1CCCC1)NCC(=O)N([O-])CCCCc1ccccc1 ZINC001184293240 1387423603 /nfs/dbraw/zinc/42/36/03/1387423603.db2.gz LIDZRYKZUZFVFY-UHFFFAOYSA-N -1 3 346.471 3.314 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC001184314859 1387427458 /nfs/dbraw/zinc/42/74/58/1387427458.db2.gz NPVHXDISKSQGSE-GOSISDBHSA-N -1 3 338.407 3.402 10 30 EGEEHM N#Cc1ccc(Oc2cccc(Nc3cc[n-]c(=O)c3[N+](=O)[O-])c2)nc1 ZINC001185488667 1387729313 /nfs/dbraw/zinc/72/93/13/1387729313.db2.gz NWZLDNGPERQPFW-UHFFFAOYSA-N -1 3 349.306 3.498 10 30 EGEEHM N#Cc1nc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)ccc1Cl ZINC001187881039 1388183563 /nfs/dbraw/zinc/18/35/63/1388183563.db2.gz SZMAMSHJULPJGD-XYPYZODXSA-N -1 3 329.791 3.241 10 30 EGEEHM COC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(F)cc1 ZINC001137026041 1377460801 /nfs/dbraw/zinc/46/08/01/1377460801.db2.gz AHDSOLLGUXZJRT-MRXNPFEDSA-N -1 3 348.324 3.293 10 30 EGEEHM C=CCCCC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001285801933 1380523883 /nfs/dbraw/zinc/52/38/83/1380523883.db2.gz RTDMGCHFJDOXAI-WBVHZDCISA-N -1 3 344.455 3.153 10 30 EGEEHM CCCCN([O-])C(=O)c1nn(-c2ccccc2)cc1Br ZINC001161831463 1382523459 /nfs/dbraw/zinc/52/34/59/1382523459.db2.gz BBUBDBCZWLRJRS-UHFFFAOYSA-N -1 3 338.205 3.266 10 30 EGEEHM CNc1ncccc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001306894292 1383916100 /nfs/dbraw/zinc/91/61/00/1383916100.db2.gz STNGYSOCUCLCGL-UHFFFAOYSA-N -1 3 326.183 3.462 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 ZINC001306896689 1383917131 /nfs/dbraw/zinc/91/71/31/1383917131.db2.gz JAZJTMIRXIFZTH-AWEZNQCLSA-N -1 3 336.407 3.367 10 30 EGEEHM C#CC[C@H]1CCN(c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1 ZINC001336711050 1389143163 /nfs/dbraw/zinc/14/31/63/1389143163.db2.gz MKLHMDHFPXOSHZ-INIZCTEOSA-N -1 3 340.448 3.337 10 30 EGEEHM C=CCCOC(=O)[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001343712365 1390732631 /nfs/dbraw/zinc/73/26/31/1390732631.db2.gz UDICWJUDOXYDLU-SECBINFHSA-N -1 3 338.310 3.165 10 30 EGEEHM N#CC(=C([O-])c1ccc(CN2CCCCC2)o1)c1ncc(F)cc1F ZINC001346764475 1390978128 /nfs/dbraw/zinc/97/81/28/1390978128.db2.gz PQEPXYMJXIARPT-CQSZACIVSA-N -1 3 345.349 3.429 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001689123834 1396929749 /nfs/dbraw/zinc/92/97/49/1396929749.db2.gz FQKGYFPIECXURB-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C1CC(C)(C(=O)N[C@H](C)CCCCNC(=O)c2ccccc2[O-])C1 ZINC001702107258 1415522946 /nfs/dbraw/zinc/52/29/46/1415522946.db2.gz ZLVDTNPZAPKKRI-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001704605438 1416615078 /nfs/dbraw/zinc/61/50/78/1416615078.db2.gz GHYRNXWFQCJTPP-CVEARBPZSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)NCCC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001718994802 1422276823 /nfs/dbraw/zinc/27/68/23/1422276823.db2.gz FULMPVBJBWKCMU-UHFFFAOYSA-N -1 3 344.455 3.011 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001719436781 1422380533 /nfs/dbraw/zinc/38/05/33/1422380533.db2.gz RVOPZLRONUAPSW-LSDHHAIUSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001720854140 1422907053 /nfs/dbraw/zinc/90/70/53/1422907053.db2.gz HQEAGQFPWCJVSB-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC001721268852 1423212463 /nfs/dbraw/zinc/21/24/63/1423212463.db2.gz ZYUJWPWYYMMNJV-UHFFFAOYSA-N -1 3 346.471 3.351 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001734696953 1438226766 /nfs/dbraw/zinc/22/67/66/1438226766.db2.gz XIIYGGSOJNMNEZ-CABCVRRESA-N -1 3 344.455 3.152 10 30 EGEEHM C=CC(C)(C)C(=O)NCC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001759478815 1441294039 /nfs/dbraw/zinc/29/40/39/1441294039.db2.gz JYEZUXKUUXZCEO-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM Cc1c(C[N-]S(=O)(=O)c2cccc(C#N)c2)oc2ccccc12 ZINC000115582513 152020790 /nfs/dbraw/zinc/02/07/90/152020790.db2.gz UCEXFUISAGHDES-UHFFFAOYSA-N -1 3 326.377 3.091 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000316939741 154158616 /nfs/dbraw/zinc/15/86/16/154158616.db2.gz BBVRERLZWUTENS-HIFRSBDPSA-N -1 3 332.812 3.046 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]C2(C#N)CCCCC2)c(Cl)cc1F ZINC000180669104 455223878 /nfs/dbraw/zinc/22/38/78/455223878.db2.gz OVGMOKKHLAVTEV-UHFFFAOYSA-N -1 3 330.812 3.292 10 30 EGEEHM O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc([O-])c1 ZINC000012679923 453391349 /nfs/dbraw/zinc/39/13/49/453391349.db2.gz XKUGMWYLLZYDIS-SNAWJCMRSA-N -1 3 327.292 3.063 10 30 EGEEHM CCCc1nc(C([O-])=C(C#N)c2ccccn2)nn1-c1ccccc1F ZINC000076089808 453962285 /nfs/dbraw/zinc/96/22/85/453962285.db2.gz BXUCOINNJCYVHA-ZDUSSCGKSA-N -1 3 349.369 3.244 10 30 EGEEHM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)NC3CC3)cc2)n1 ZINC000048789204 454516111 /nfs/dbraw/zinc/51/61/11/454516111.db2.gz JZEWOYDWUUPDJZ-CQSZACIVSA-N -1 3 340.408 3.226 10 30 EGEEHM CCC(CC)CN(CCC#N)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000122312042 454521895 /nfs/dbraw/zinc/52/18/95/454521895.db2.gz HWFSMBMEGFCPPF-UHFFFAOYSA-N -1 3 331.416 3.143 10 30 EGEEHM C[C@H](C#N)CN(C)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000264256085 455195809 /nfs/dbraw/zinc/19/58/09/455195809.db2.gz YXEZWLVFMBCPDP-SNVBAGLBSA-N -1 3 328.397 3.248 10 30 EGEEHM Cc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)ccc1[O-] ZINC000272376526 455930614 /nfs/dbraw/zinc/93/06/14/455930614.db2.gz FCCIRCDEZBCEPU-UHFFFAOYSA-N -1 3 336.391 3.256 10 30 EGEEHM CC(C)[C@@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000356970830 457249848 /nfs/dbraw/zinc/24/98/48/457249848.db2.gz CJKXYJFERQMEFP-MRVPVSSYSA-N -1 3 345.230 3.294 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000340097955 457331943 /nfs/dbraw/zinc/33/19/43/457331943.db2.gz RLYCEHDVTWHELM-MRXNPFEDSA-N -1 3 347.827 3.036 10 30 EGEEHM Cn1nnc2ccc(C([O-])=C(C#N)c3nccc4ccccc43)cc21 ZINC000361519688 457767527 /nfs/dbraw/zinc/76/75/27/457767527.db2.gz PLHIYSKVRULKJB-OAHLLOKOSA-N -1 3 327.347 3.007 10 30 EGEEHM CCc1[n-][nH]c(=NC(=O)c2cn(CCCC#N)c3ccccc23)c1C ZINC000444805849 457981696 /nfs/dbraw/zinc/98/16/96/457981696.db2.gz VWMDCUQYYUJRRQ-UHFFFAOYSA-N -1 3 335.411 3.213 10 30 EGEEHM C=CCC1(C(=O)Nc2cc3c(cc2[O-])n(C)c(=O)n3C)CCCCC1 ZINC000451871617 458489100 /nfs/dbraw/zinc/48/91/00/458489100.db2.gz RYLZAKSJQIFBHY-UHFFFAOYSA-N -1 3 343.427 3.048 10 30 EGEEHM C=CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000432271489 458708479 /nfs/dbraw/zinc/70/84/79/458708479.db2.gz ZKDIXCXFUGWWRK-UHFFFAOYSA-N -1 3 345.848 3.007 10 30 EGEEHM COCc1nc(C(=O)[N-]c2ccccc2S[C@@H](C)CC#N)co1 ZINC000547521686 458755652 /nfs/dbraw/zinc/75/56/52/458755652.db2.gz NLSBZNPQCZIJOQ-NSHDSACASA-N -1 3 331.397 3.468 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC(F)(F)CC1 ZINC000594488497 459058109 /nfs/dbraw/zinc/05/81/09/459058109.db2.gz SAGYDRYTFLVMQE-VIFPVBQESA-N -1 3 334.413 3.112 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CCCCC1 ZINC000594869701 459164276 /nfs/dbraw/zinc/16/42/76/459164276.db2.gz RDNDBSAIOYHDGD-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C2CCC2)C1 ZINC000598401571 459890822 /nfs/dbraw/zinc/89/08/22/459890822.db2.gz WANJNHBZVWHVQZ-INIZCTEOSA-N -1 3 341.455 3.247 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2)CCC1 ZINC000593536559 459918108 /nfs/dbraw/zinc/91/81/08/459918108.db2.gz DCZHMASSZAYHRK-UHFFFAOYSA-N -1 3 336.413 3.117 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000593591923 459929990 /nfs/dbraw/zinc/92/99/90/459929990.db2.gz DPUKHVKLCBUACI-UHFFFAOYSA-N -1 3 332.450 3.092 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC[C@H]1CCc2ccccc21 ZINC000593604361 459932364 /nfs/dbraw/zinc/93/23/64/459932364.db2.gz RNFARNHWXVCEMO-CYBMUJFWSA-N -1 3 332.450 3.018 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCCC1 ZINC000593620470 459935321 /nfs/dbraw/zinc/93/53/21/459935321.db2.gz IHNMNUCOOCSXSF-UHFFFAOYSA-N -1 3 332.347 3.068 10 30 EGEEHM CCOC(=O)c1sc([N-]C(=O)c2nc(C)c(C)s2)c(C#N)c1C ZINC000618623671 460089850 /nfs/dbraw/zinc/08/98/50/460089850.db2.gz NFNCFLMRGVWUTJ-UHFFFAOYSA-N -1 3 349.437 3.431 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2(C)CCCC2)no1 ZINC000599197528 460197356 /nfs/dbraw/zinc/19/73/56/460197356.db2.gz JPXHGSXHKBJXPI-UHFFFAOYSA-N -1 3 326.400 3.276 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)c2cnccc2C(F)(F)F)CCCC1 ZINC000657190818 461984112 /nfs/dbraw/zinc/98/41/12/461984112.db2.gz XQVHSDYCKBXZDP-UHFFFAOYSA-N -1 3 334.363 3.268 10 30 EGEEHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000645764459 462418845 /nfs/dbraw/zinc/41/88/45/462418845.db2.gz DMHAKSDJJAVBJH-KBPBESRZSA-N -1 3 337.466 3.079 10 30 EGEEHM COc1ccccc1/C=N/n1nnnc1[N-]c1cccc2ccccc21 ZINC000005393962 524326935 /nfs/dbraw/zinc/32/69/35/524326935.db2.gz LCOXCRQVXOAXDK-DEDYPNTBSA-N -1 3 344.378 3.461 10 30 EGEEHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nccc2ccccc21 ZINC000682993864 550174789 /nfs/dbraw/zinc/17/47/89/550174789.db2.gz CECFCKKRDMBEPL-CQSZACIVSA-N -1 3 344.296 3.484 10 30 EGEEHM COc1cccc(N2CCC[C@@H](/N=C\c3c([O-])cccc3OC)C2)c1 ZINC000735228323 575619645 /nfs/dbraw/zinc/61/96/45/575619645.db2.gz AIQDTKLEVMINRS-PJMHOZITSA-N -1 3 340.423 3.497 10 30 EGEEHM C=CCCc1ccc(S(=O)(=O)[N-]c2cc(CN(C)C)ccn2)cc1 ZINC000886397662 1303456485 /nfs/dbraw/zinc/45/64/85/1303456485.db2.gz SWNAXCFAXBNZJQ-UHFFFAOYSA-N -1 3 345.468 3.063 10 30 EGEEHM CC[C@@H](NCc1nc(CN(C)C)cs1)c1cccc(C#N)c1[O-] ZINC000926885061 1327756294 /nfs/dbraw/zinc/75/62/94/1327756294.db2.gz LOHMMEFWKUGHGD-OAHLLOKOSA-N -1 3 330.457 3.023 10 30 EGEEHM C=CCO[N-]C(=O)Cc1ccc(SCC)cc1Br ZINC000861923663 1329450893 /nfs/dbraw/zinc/45/08/93/1329450893.db2.gz ADOLJPIVNICOOM-UHFFFAOYSA-N -1 3 330.247 3.337 10 30 EGEEHM O=C(c1ccc2c(c1)COC(=O)N2)N([O-])Cc1ccccc1Cl ZINC001184293003 1387423588 /nfs/dbraw/zinc/42/35/88/1387423588.db2.gz AULMDDUOHZEQLR-UHFFFAOYSA-N -1 3 332.743 3.434 10 30 EGEEHM Cc1c2ccccc2c(=O)oc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184348355 1387436053 /nfs/dbraw/zinc/43/60/53/1387436053.db2.gz MUNHXGLULAINGB-UHFFFAOYSA-N -1 3 327.311 3.272 10 30 EGEEHM C#CC[C@H](COC)[N-]c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001187207339 1388070893 /nfs/dbraw/zinc/07/08/93/1388070893.db2.gz IFVRSJFGVCXIAH-GFCCVEGCSA-N -1 3 326.183 3.494 10 30 EGEEHM C=CCO[C@@H]1CCN(Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1 ZINC001119597066 1371371935 /nfs/dbraw/zinc/37/19/35/1371371935.db2.gz GAVXZDQIXYFJQL-MRXNPFEDSA-N -1 3 327.380 3.422 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001281994539 1378467444 /nfs/dbraw/zinc/46/74/44/1378467444.db2.gz XDMGGSNQKJFJDI-HZPDHXFCSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCC[C@@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001158173959 1381147739 /nfs/dbraw/zinc/14/77/39/1381147739.db2.gz VYLZJWWGFDAJJE-GFCCVEGCSA-N -1 3 332.350 3.377 10 30 EGEEHM C=CCn1ncc2ccc(NC(=O)c3c[n-]c4ccccc4c3=O)cc21 ZINC001289390069 1381997330 /nfs/dbraw/zinc/99/73/30/1381997330.db2.gz CKNDPLZCSMOHQV-UHFFFAOYSA-N -1 3 344.374 3.316 10 30 EGEEHM Cn1ncc2cc(C(=O)N([O-])Cc3cccc4ccccc43)cnc21 ZINC001161842479 1382526530 /nfs/dbraw/zinc/52/65/30/1382526530.db2.gz GETKEUHHOZRVML-UHFFFAOYSA-N -1 3 332.363 3.153 10 30 EGEEHM C=CCCCC(=O)N1CCC(CN(C)C(=O)c2ccccc2[O-])CC1 ZINC001296889103 1383086480 /nfs/dbraw/zinc/08/64/80/1383086480.db2.gz MRGAMZJCEUXLNY-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM N#CC1(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCCCC1 ZINC001300939525 1383686696 /nfs/dbraw/zinc/68/66/96/1383686696.db2.gz ZBDGUDJYAPXYNT-UHFFFAOYSA-N -1 3 343.814 3.385 10 30 EGEEHM CC(=O)N[C@H](CCC(C)C)C(=O)N([O-])Cc1cccc2ccccc21 ZINC001306901262 1383917775 /nfs/dbraw/zinc/91/77/75/1383917775.db2.gz YRRLVKZBUKTWNC-LJQANCHMSA-N -1 3 342.439 3.499 10 30 EGEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@H]1C ZINC001341951572 1390553623 /nfs/dbraw/zinc/55/36/23/1390553623.db2.gz MPPIMGWQKLOSLF-LLVKDONJSA-N -1 3 341.440 3.435 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001702546439 1415638245 /nfs/dbraw/zinc/63/82/45/1415638245.db2.gz FVCDYJMPFVOTCY-LSDHHAIUSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718801909 1422112554 /nfs/dbraw/zinc/11/25/54/1422112554.db2.gz OBEQNCHEMCXHFP-YOEHRIQHSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001735434984 1438481573 /nfs/dbraw/zinc/48/15/73/1438481573.db2.gz XCWOUVZMSVBDIF-INIZCTEOSA-N -1 3 346.471 3.304 10 30 EGEEHM C=CCC1(C(=O)N(C)CCNC(=O)c2ccccc2[O-])CCCCC1 ZINC001737709675 1438869514 /nfs/dbraw/zinc/86/95/14/1438869514.db2.gz LSQKQVWHRMMMSO-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001739024505 1439250943 /nfs/dbraw/zinc/25/09/43/1439250943.db2.gz RVOPZLRONUAPSW-CABCVRRESA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001759377425 1441273363 /nfs/dbraw/zinc/27/33/63/1441273363.db2.gz KAWDAIWZMRIYIJ-HXUWFJFHSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1cccc(CC(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000527193969 268277576 /nfs/dbraw/zinc/27/75/76/268277576.db2.gz BRXFZADJKHADNJ-UHFFFAOYSA-N -1 3 336.269 3.344 10 30 EGEEHM CCOc1c([O-])ccc2c1nc(C(C)C)n(-c1ccc(C#N)cc1)c2=O ZINC000039124349 453942813 /nfs/dbraw/zinc/94/28/13/453942813.db2.gz AXRSAQXAFXMRCC-UHFFFAOYSA-N -1 3 349.390 3.485 10 30 EGEEHM Cc1ccsc1-c1nc(NC(=O)c2cc(C(C)C)n(C)n2)n[n-]1 ZINC000097010933 454386675 /nfs/dbraw/zinc/38/66/75/454386675.db2.gz AWMYFKBHXYWBSW-UHFFFAOYSA-N -1 3 330.417 3.335 10 30 EGEEHM CCC(C)(C)[C@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000133581279 454442685 /nfs/dbraw/zinc/44/26/85/454442685.db2.gz MKFKKKAOLGSNSI-QGZVFWFLSA-N -1 3 343.471 3.223 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1nccs1 ZINC000160822576 455502861 /nfs/dbraw/zinc/50/28/61/455502861.db2.gz DLEHUFNJCWBKIX-NSHDSACASA-N -1 3 341.845 3.098 10 30 EGEEHM CCOc1ccc(C#N)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000179762131 455074839 /nfs/dbraw/zinc/07/48/39/455074839.db2.gz YAHUQZLPNFEWQU-UHFFFAOYSA-N -1 3 338.289 3.083 10 30 EGEEHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000181463573 455338943 /nfs/dbraw/zinc/33/89/43/455338943.db2.gz LMZSPQLMCDYJNP-LLVKDONJSA-N -1 3 347.300 3.202 10 30 EGEEHM Cc1nn(C(C)(C)C)cc1[C@H](C)/N=C/c1c([O-])c(C)ncc1CO ZINC000274296547 456255277 /nfs/dbraw/zinc/25/52/77/456255277.db2.gz AFTRXZHHAAFEJO-FEQLDZPWSA-N -1 3 330.432 3.028 10 30 EGEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000356419984 457616810 /nfs/dbraw/zinc/61/68/10/457616810.db2.gz NWYQJZSOJPHFQA-INIZCTEOSA-N -1 3 338.791 3.246 10 30 EGEEHM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nccc2ccccc21 ZINC000361527938 457771276 /nfs/dbraw/zinc/77/12/76/457771276.db2.gz TWMDOVMWPMDOBP-INIZCTEOSA-N -1 3 330.347 3.215 10 30 EGEEHM Cc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)c1C#N ZINC000415595965 458332518 /nfs/dbraw/zinc/33/25/18/458332518.db2.gz KVXCDTBHKKAGAA-UHFFFAOYSA-N -1 3 346.368 3.271 10 30 EGEEHM COc1ccc2c(c1)CCC[C@@]2(NCc1cc(C#N)cs1)C(=O)[O-] ZINC000417589882 458366173 /nfs/dbraw/zinc/36/61/73/458366173.db2.gz QPHIYJLXZYWBQT-SFHVURJKSA-N -1 3 342.420 3.034 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C1CCC(F)(F)CC1 ZINC000594489331 459057386 /nfs/dbraw/zinc/05/73/86/459057386.db2.gz ZDLUDPKFZDIGQQ-SNVBAGLBSA-N -1 3 346.374 3.190 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCCCC1 ZINC000594883518 459165474 /nfs/dbraw/zinc/16/54/74/459165474.db2.gz FCMVKIYTJBXJRT-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM N#Cc1c([N-]C(=O)c2cn(C3CCC3)nn2)sc2c1CCCCC2 ZINC000592573198 459633498 /nfs/dbraw/zinc/63/34/98/459633498.db2.gz WKPHFJSHAXHEEA-UHFFFAOYSA-N -1 3 341.440 3.457 10 30 EGEEHM C[C@@]1(C#N)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000598417293 459894355 /nfs/dbraw/zinc/89/43/55/459894355.db2.gz ILQKQGWWSGEANU-FQEVSTJZSA-N -1 3 336.391 3.347 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H](CC1CC1)c1ccccc1 ZINC000593556182 459922353 /nfs/dbraw/zinc/92/23/53/459922353.db2.gz LDFHFVXFCZVRFD-CQSZACIVSA-N -1 3 332.450 3.439 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)CCCC1 ZINC000593623035 459935364 /nfs/dbraw/zinc/93/53/64/459935364.db2.gz HMMYOAZEHBOQPY-UHFFFAOYSA-N -1 3 338.376 3.129 10 30 EGEEHM N#CC1(CC(=O)Nc2cc(C(F)(F)F)ccc2[O-])CCOCC1 ZINC000597441183 459955311 /nfs/dbraw/zinc/95/53/11/459955311.db2.gz DXDWTEJUGFROTB-UHFFFAOYSA-N -1 3 328.290 3.060 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000613346855 460916784 /nfs/dbraw/zinc/91/67/84/460916784.db2.gz NWMFTNOYKFFXDX-SNVBAGLBSA-N -1 3 338.791 3.390 10 30 EGEEHM Cc1ccc([O-])c(/C=C2\SC(=Nc3ccccc3C)NC2=O)n1 ZINC000728909646 574785921 /nfs/dbraw/zinc/78/59/21/574785921.db2.gz HAZHBJGWCAOTTP-DHDCSXOGSA-N -1 3 325.393 3.296 10 30 EGEEHM Cc1cc(Br)c([N-]S(=O)(=O)[C@H](C)C#N)cc1Cl ZINC000131825098 1293701387 /nfs/dbraw/zinc/70/13/87/1293701387.db2.gz VNXAURSLFUWMMJ-SSDOTTSWSA-N -1 3 337.626 3.065 10 30 EGEEHM CC(=O)c1cc(Cl)cc(CN2CCC3(CC2)CC(=O)C=CO3)c1[O-] ZINC000933651203 1329909533 /nfs/dbraw/zinc/90/95/33/1329909533.db2.gz GEXFMYRWEYTUKM-UHFFFAOYSA-N -1 3 349.814 3.086 10 30 EGEEHM C=C(C)Cc1cccc(-c2nnc(N(C)C3CC3)n2CCOC)c1[O-] ZINC001122271019 1372218251 /nfs/dbraw/zinc/21/82/51/1372218251.db2.gz RHUDNSKTPKONFO-UHFFFAOYSA-N -1 3 342.443 3.014 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)CCCCC1 ZINC001211861320 1372623732 /nfs/dbraw/zinc/62/37/32/1372623732.db2.gz GWDBJEGLTXLJEG-UHFFFAOYSA-N -1 3 332.828 3.431 10 30 EGEEHM C=CCCO[N-]C(=O)[C@@H]1CCCCCC[C@H]1NC(=O)OC(C)(C)C ZINC001149452259 1379384410 /nfs/dbraw/zinc/38/44/10/1379384410.db2.gz QAJHIXFTLNTLHB-HUUCEWRRSA-N -1 3 340.464 3.474 10 30 EGEEHM C=C(C)CCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001286150197 1380910123 /nfs/dbraw/zinc/91/01/23/1380910123.db2.gz XJOPOFMQBDTGJC-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM C=CCC(C)(C)C(=O)N1CCC(N(C)C(=O)c2ccccc2[O-])CC1 ZINC001287358886 1381186321 /nfs/dbraw/zinc/18/63/21/1381186321.db2.gz IEZOWRWDQFQAII-UHFFFAOYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001158345270 1381209966 /nfs/dbraw/zinc/20/99/66/1381209966.db2.gz HRKKRMXVMMBGSB-AEFFLSMTSA-N -1 3 325.364 3.258 10 30 EGEEHM C=CC(C)(C)CC(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297550770 1383182930 /nfs/dbraw/zinc/18/29/30/1383182930.db2.gz ZVZOVYQZCZYWJG-FQEVSTJZSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001718125485 1421842398 /nfs/dbraw/zinc/84/23/98/1421842398.db2.gz ZGNCWKOMPWOLJB-UHFFFAOYSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001726188574 1426929747 /nfs/dbraw/zinc/92/97/47/1426929747.db2.gz AATDPVRONAEWLQ-HUUCEWRRSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447394 1438490271 /nfs/dbraw/zinc/49/02/71/1438490271.db2.gz JJHGRXXCLRCFPT-YOEHRIQHSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447391 1438490519 /nfs/dbraw/zinc/49/05/19/1438490519.db2.gz JJHGRXXCLRCFPT-PBHICJAKSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C(C)CCC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001739646784 1439378594 /nfs/dbraw/zinc/37/85/94/1439378594.db2.gz OQFLPRPZMJXLOE-QGZVFWFLSA-N -1 3 344.455 3.153 10 30 EGEEHM N#Cc1ccc(OC2CN(C(=O)c3cc4c(cc3[O-])CCCC4)C2)cc1 ZINC000436632678 270051458 /nfs/dbraw/zinc/05/14/58/270051458.db2.gz ZUWHPTYRRCSGOB-UHFFFAOYSA-N -1 3 348.402 3.046 10 30 EGEEHM COC(=O)c1c2c(sc1[N-]C(=O)c1ccc(C#N)o1)CCCC2 ZINC000459903021 267398488 /nfs/dbraw/zinc/39/84/88/267398488.db2.gz HJIQJYMKDKDUQI-UHFFFAOYSA-N -1 3 330.365 3.130 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1 ZINC000430023190 268182600 /nfs/dbraw/zinc/18/26/00/268182600.db2.gz CTINSHKTXFYQIL-CABCVRRESA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)s1 ZINC000435439977 268256851 /nfs/dbraw/zinc/25/68/51/268256851.db2.gz YEGHSXXUBAGHTP-UHFFFAOYSA-N -1 3 328.365 3.036 10 30 EGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CC1CC(c2ccccc2)C1 ZINC000554927885 315357405 /nfs/dbraw/zinc/35/74/05/315357405.db2.gz CVVPHYNAWVQNPH-UHFFFAOYSA-N -1 3 344.411 3.169 10 30 EGEEHM Cc1ccsc1-c1nsc([N-]C(=O)c2ccc(C#N)cn2)n1 ZINC000131516955 454259821 /nfs/dbraw/zinc/25/98/21/454259821.db2.gz BMJZUTQQISMLRF-UHFFFAOYSA-N -1 3 327.394 3.094 10 30 EGEEHM Cc1csc(C(C#N)=C([O-])c2ccc(NC(=O)NC3CC3)cc2)n1 ZINC000048789202 454515742 /nfs/dbraw/zinc/51/57/42/454515742.db2.gz JZEWOYDWUUPDJZ-AWEZNQCLSA-N -1 3 340.408 3.226 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000160823110 455503231 /nfs/dbraw/zinc/50/32/31/455503231.db2.gz NJLAZSAMHINUDO-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM CCN(CCC#N)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000267059814 455496880 /nfs/dbraw/zinc/49/68/80/455496880.db2.gz IIHHALRSSDCELK-UHFFFAOYSA-N -1 3 328.397 3.392 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)c1 ZINC000295238033 455843412 /nfs/dbraw/zinc/84/34/12/455843412.db2.gz XSEUNNKJVIZRLY-LBPRGKRZSA-N -1 3 331.384 3.429 10 30 EGEEHM COc1ccc([O-])cc1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000188737159 456124070 /nfs/dbraw/zinc/12/40/70/456124070.db2.gz PEOXMZJYGDSXBP-UHFFFAOYSA-N -1 3 326.352 3.312 10 30 EGEEHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2ccoc2C(F)(F)F)n1 ZINC000291526411 456669681 /nfs/dbraw/zinc/66/96/81/456669681.db2.gz QUXFUISEJIMEHX-UHFFFAOYSA-N -1 3 326.278 3.374 10 30 EGEEHM CCOC(=O)c1cc([N-]C(=O)c2sccc2C#N)c(F)cc1C ZINC000341772451 456937471 /nfs/dbraw/zinc/93/74/71/456937471.db2.gz QCPCHXILDGCDEE-UHFFFAOYSA-N -1 3 332.356 3.496 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)CCC1 ZINC000349593880 456993818 /nfs/dbraw/zinc/99/38/18/456993818.db2.gz YHTUQLXHQMORHR-UHFFFAOYSA-N -1 3 330.409 3.060 10 30 EGEEHM C=CCN(CC(F)(F)F)C(=O)c1ccc2nc(OCC)[n-]c2c1 ZINC000346287711 457028293 /nfs/dbraw/zinc/02/82/93/457028293.db2.gz ASPSDFOXWDDFOG-UHFFFAOYSA-N -1 3 327.306 3.152 10 30 EGEEHM C=CCN(CC(F)(F)F)C(=O)c1ccc2[n-]c(OCC)nc2c1 ZINC000346287711 457028300 /nfs/dbraw/zinc/02/83/00/457028300.db2.gz ASPSDFOXWDDFOG-UHFFFAOYSA-N -1 3 327.306 3.152 10 30 EGEEHM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nccc2ccccc21 ZINC000361520274 457766454 /nfs/dbraw/zinc/76/64/54/457766454.db2.gz SXIISLMQTUJDKO-SFHVURJKSA-N -1 3 339.358 3.306 10 30 EGEEHM CC(C)([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000410967270 457773301 /nfs/dbraw/zinc/77/33/01/457773301.db2.gz SBQJMNUMEHPUSL-UHFFFAOYSA-N -1 3 331.203 3.048 10 30 EGEEHM N#CCc1ccc(NC(=O)Cc2ccc(Br)cc2[O-])cc1 ZINC000477303424 459039746 /nfs/dbraw/zinc/03/97/46/459039746.db2.gz PEXOZAIQRZPNPU-UHFFFAOYSA-N -1 3 345.196 3.402 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000594534750 459082179 /nfs/dbraw/zinc/08/21/79/459082179.db2.gz BNNYEMAXRZXSGR-NWANDNLSSA-N -1 3 338.411 3.348 10 30 EGEEHM C=CC(C)(C)C(=O)Nc1cc(I)ccc1[O-] ZINC000590666723 459176245 /nfs/dbraw/zinc/17/62/45/459176245.db2.gz SSXAKZVIDKZUCR-UHFFFAOYSA-N -1 3 331.153 3.148 10 30 EGEEHM CC(C)(C)c1cc([N-]C(=O)c2cn(C3CCC3)nn2)c(C#N)s1 ZINC000592613603 459644775 /nfs/dbraw/zinc/64/47/75/459644775.db2.gz HJOUQEZNXYCRQP-UHFFFAOYSA-N -1 3 329.429 3.486 10 30 EGEEHM CC(C)(C)c1csc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1C#N ZINC000563161809 459726406 /nfs/dbraw/zinc/72/64/06/459726406.db2.gz DJBWQRJEIBWEST-UHFFFAOYSA-N -1 3 330.369 3.473 10 30 EGEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C(F)(F)F)cc1 ZINC000593279420 459827608 /nfs/dbraw/zinc/82/76/08/459827608.db2.gz OEUHFNQMDOWHSF-CYBMUJFWSA-N -1 3 346.374 3.107 10 30 EGEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)NCC1(C#N)CCCCC1)c2=O ZINC000598305795 459856905 /nfs/dbraw/zinc/85/69/05/459856905.db2.gz ZQIGQIGZYLALPJ-UHFFFAOYSA-N -1 3 341.386 3.180 10 30 EGEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(F)cc1 ZINC000593526463 459915339 /nfs/dbraw/zinc/91/53/39/459915339.db2.gz DBDDWWPJUHXKIP-HNNXBMFYSA-N -1 3 338.429 3.434 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCc2ccccc21 ZINC000593528822 459917372 /nfs/dbraw/zinc/91/73/72/459917372.db2.gz ZSSGFNZCXBWRKB-ZDUSSCGKSA-N -1 3 332.450 3.018 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCc2ccc(F)cc21 ZINC000593588792 459928531 /nfs/dbraw/zinc/92/85/31/459928531.db2.gz MVKNFWASJCHWPN-ZDUSSCGKSA-N -1 3 336.413 3.115 10 30 EGEEHM C=CC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597863072 460083632 /nfs/dbraw/zinc/08/36/32/460083632.db2.gz CTUOWXPCPKIYFX-CRAIPNDOSA-N -1 3 341.455 3.459 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-]CC2(C#N)CCCCC2)c(F)c1F ZINC000599348083 460234023 /nfs/dbraw/zinc/23/40/23/460234023.db2.gz ZTKURRFJJVAYHE-UHFFFAOYSA-N -1 3 328.384 3.026 10 30 EGEEHM CCN(Cc1ccnc(C#N)c1)Cc1cc(Br)ccc1[O-] ZINC000749515361 574635010 /nfs/dbraw/zinc/63/50/10/574635010.db2.gz ZTJASTPTDRUCCX-UHFFFAOYSA-N -1 3 346.228 3.443 10 30 EGEEHM CC(C)(C)Oc1cccc(CCC(=O)[N-]Oc2cccc(C#N)c2)n1 ZINC000870691425 1296022104 /nfs/dbraw/zinc/02/21/04/1296022104.db2.gz KRORXNYEGMEPLQ-UHFFFAOYSA-N -1 3 339.395 3.173 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1cccc2cc[nH]c21 ZINC000870821206 1296101149 /nfs/dbraw/zinc/10/11/49/1296101149.db2.gz NHHRRXWLTMXERV-UHFFFAOYSA-N -1 3 348.406 3.353 10 30 EGEEHM C#C[C@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000929764424 1328692920 /nfs/dbraw/zinc/69/29/20/1328692920.db2.gz UFHFALQAPZOTJD-INIZCTEOSA-N -1 3 336.395 3.177 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C ZINC001184314688 1387427596 /nfs/dbraw/zinc/42/75/96/1387427596.db2.gz GPHHIOIVIWHGPC-CQSZACIVSA-N -1 3 341.452 3.372 10 30 EGEEHM COC[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccc(F)cc1 ZINC001137026040 1377460643 /nfs/dbraw/zinc/46/06/43/1377460643.db2.gz AHDSOLLGUXZJRT-INIZCTEOSA-N -1 3 348.324 3.293 10 30 EGEEHM C=CCC1(C(=O)NC[C@H](C)NC(=O)c2ccccc2[O-])CCCCC1 ZINC001285710031 1380481080 /nfs/dbraw/zinc/48/10/80/1380481080.db2.gz DBWRGSPXQRRUGS-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001288010183 1381484818 /nfs/dbraw/zinc/48/48/18/1381484818.db2.gz ABAJTHLEEJHOEU-HOCLYGCPSA-N -1 3 344.455 3.104 10 30 EGEEHM N#Cc1cc2cccnc2nc1NCCc1c(F)cc([O-])cc1F ZINC001307216401 1383958835 /nfs/dbraw/zinc/95/88/35/1383958835.db2.gz STYHCAVEHRHTCG-UHFFFAOYSA-N -1 3 326.306 3.140 10 30 EGEEHM C=CCn1ncc2ccc(NC(=O)c3ccc(C(C)=O)c([O-])c3)cc21 ZINC001179494460 1386497638 /nfs/dbraw/zinc/49/76/38/1386497638.db2.gz OBDXXBQKPKVVLZ-UHFFFAOYSA-N -1 3 335.363 3.383 10 30 EGEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[C@@H]1C ZINC001341951573 1390553480 /nfs/dbraw/zinc/55/34/80/1390553480.db2.gz MPPIMGWQKLOSLF-NSHDSACASA-N -1 3 341.440 3.435 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001334895879 1390615368 /nfs/dbraw/zinc/61/53/68/1390615368.db2.gz FCJUXYDTPBKUEO-HNNXBMFYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001689498402 1403817093 /nfs/dbraw/zinc/81/70/93/1403817093.db2.gz VAOHRQAXTKDIBN-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)N1CC[C@]2(NC(=O)c3ccccc3[O-])CCC[C@@H]12 ZINC001701768405 1415241222 /nfs/dbraw/zinc/24/12/22/1415241222.db2.gz BQFDXCWCWBXOIZ-YLJYHZDGSA-N -1 3 342.439 3.002 10 30 EGEEHM C=CCC1(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001739216641 1439305868 /nfs/dbraw/zinc/30/58/68/1439305868.db2.gz RZLZXJWEKQZHSS-LSDHHAIUSA-N -1 3 344.455 3.152 10 30 EGEEHM Cc1ccccc1-c1cc(=NC(=O)[C@@H](C)Oc2ccccc2C#N)[nH][n-]1 ZINC000338093642 141092433 /nfs/dbraw/zinc/09/24/33/141092433.db2.gz WPRRTHJVRGKMTL-CQSZACIVSA-N -1 3 346.390 3.085 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2cccnc2)C2CC2)c(Cl)c1 ZINC000355717166 166289235 /nfs/dbraw/zinc/28/92/35/166289235.db2.gz JRAKISBWQCXIIJ-INIZCTEOSA-N -1 3 347.827 3.036 10 30 EGEEHM Cc1ccc([O-])c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 ZINC000530061634 268039668 /nfs/dbraw/zinc/03/96/68/268039668.db2.gz JIAZOZUNVRJWLP-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM O=C1c2ccc([O-])c(CN3CCCCC3)c2O/C1=C\c1ccccn1 ZINC000041511069 275031121 /nfs/dbraw/zinc/03/11/21/275031121.db2.gz DBWATGHZSDAAKF-PDGQHHTCSA-N -1 3 336.391 3.389 10 30 EGEEHM CC(C)(C)c1csc([N-]C(=O)c2cn(CC3CC3)nn2)c1C#N ZINC000570177650 317019739 /nfs/dbraw/zinc/01/97/39/317019739.db2.gz QOCNPYPTHRQUFV-UHFFFAOYSA-N -1 3 329.429 3.171 10 30 EGEEHM N#Cc1cc(F)cc(C2(c3nc(-c4ccc5n[n-]nc5c4)no3)CC2)c1 ZINC000579905164 325173027 /nfs/dbraw/zinc/17/30/27/325173027.db2.gz FTUCJFYUIBTSOI-UHFFFAOYSA-N -1 3 346.325 3.099 10 30 EGEEHM O=C(CCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1)N[O-] ZINC000036475713 453927730 /nfs/dbraw/zinc/92/77/30/453927730.db2.gz MJWOWLFDLANFPG-UHFFFAOYSA-N -1 3 340.423 3.368 10 30 EGEEHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056115155 454038621 /nfs/dbraw/zinc/03/86/21/454038621.db2.gz CONBQPMYEIBHIL-UHFFFAOYSA-N -1 3 348.402 3.365 10 30 EGEEHM Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4cccnc4)on3)n[nH]2)o1 ZINC000095418909 454207479 /nfs/dbraw/zinc/20/74/79/454207479.db2.gz DDKVSILCDGBFQI-UHFFFAOYSA-N -1 3 336.311 3.059 10 30 EGEEHM CC[N-]C(=S)C(C(=O)c1cc(C)sc1C)[n+]1cc([O-])ccc1C ZINC000063850760 454455712 /nfs/dbraw/zinc/45/57/12/454455712.db2.gz KPKYIDBJKFRTHF-UHFFFAOYSA-O -1 3 349.501 3.215 10 30 EGEEHM Cc1ccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c(C)nc2c1 ZINC000102017695 454492048 /nfs/dbraw/zinc/49/20/48/454492048.db2.gz UZNBXTWZMDGLIT-MRXNPFEDSA-N -1 3 344.374 3.208 10 30 EGEEHM COCc1nc2n(n1)CCC[C@@H]2/N=C/c1c([O-])ccc2ccccc21 ZINC000155090650 454962487 /nfs/dbraw/zinc/96/24/87/454962487.db2.gz LXAXQRBAZCUBKW-YODDIOPGSA-N -1 3 336.395 3.237 10 30 EGEEHM C[C@H](C#N)Oc1ccccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000182578618 455545418 /nfs/dbraw/zinc/54/54/18/455545418.db2.gz MSAKDNXEPOSCTO-SECBINFHSA-N -1 3 338.289 3.104 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000295822417 455860537 /nfs/dbraw/zinc/86/05/37/455860537.db2.gz UZHUDLGZZKLYJX-QWRGUYRKSA-N -1 3 332.347 3.066 10 30 EGEEHM CCc1cc2c(CN3CCC(C)(C#N)CC3)cc(=O)oc2cc1[O-] ZINC000272572569 455999769 /nfs/dbraw/zinc/99/97/69/455999769.db2.gz NFEYDFGQEUMIFD-UHFFFAOYSA-N -1 3 326.396 3.187 10 30 EGEEHM C=C(C)COc1cccc([N-]S(=O)(=O)C[C@H](OCC)C2CC2)c1 ZINC000629289155 460715962 /nfs/dbraw/zinc/71/59/62/460715962.db2.gz XJFNJUQCHBHNFV-KRWDZBQOSA-N -1 3 339.457 3.198 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C(C)C)C3)n1 ZINC000297934050 456327682 /nfs/dbraw/zinc/32/76/82/456327682.db2.gz ZGADPALXXXTFPD-LLVKDONJSA-N -1 3 343.456 3.244 10 30 EGEEHM CCOc1cc(CN(CC#N)C2CC2)cc(Br)c1[O-] ZINC000297992659 456339131 /nfs/dbraw/zinc/33/91/31/456339131.db2.gz YWPKPIVUYOVEQH-UHFFFAOYSA-N -1 3 325.206 3.041 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000359157728 457060947 /nfs/dbraw/zinc/06/09/47/457060947.db2.gz GUAHOMHNGKKLSA-UHFFFAOYSA-N -1 3 343.330 3.164 10 30 EGEEHM CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000356728554 457138144 /nfs/dbraw/zinc/13/81/44/457138144.db2.gz NGHPQVRJUOHCME-INIZCTEOSA-N -1 3 338.791 3.246 10 30 EGEEHM COCCOc1ncccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361517209 457765247 /nfs/dbraw/zinc/76/52/47/457765247.db2.gz AJUIYDUAZUOQGQ-QGZVFWFLSA-N -1 3 347.374 3.145 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CCCCF ZINC000594775671 459153536 /nfs/dbraw/zinc/15/35/36/459153536.db2.gz GHHVAJGJONKZMY-UHFFFAOYSA-N -1 3 326.418 3.109 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C1CCC(F)CC1 ZINC000595357834 459282920 /nfs/dbraw/zinc/28/29/20/459282920.db2.gz CILBIPKGWMMXQG-QFWMXSHPSA-N -1 3 344.839 3.407 10 30 EGEEHM N#CC(=C([O-])c1cnn(-c2ccncc2)c1C(F)F)c1ccccn1 ZINC000489854350 459571514 /nfs/dbraw/zinc/57/15/14/459571514.db2.gz HNTHLGZNCQWTSM-GFCCVEGCSA-N -1 3 339.305 3.090 10 30 EGEEHM CC(C)(C)c1csc([N-]C(=O)c2cn(C3CCC3)nn2)c1C#N ZINC000592633056 459651591 /nfs/dbraw/zinc/65/15/91/459651591.db2.gz GFYOQBAZNPDDCC-UHFFFAOYSA-N -1 3 329.429 3.486 10 30 EGEEHM O=C1COCCN1c1ccc(/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000584661583 459779748 /nfs/dbraw/zinc/77/97/48/459779748.db2.gz YNPFYPLJDQCCHN-VXLYETTFSA-N -1 3 330.771 3.159 10 30 EGEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1 ZINC000593198203 459804930 /nfs/dbraw/zinc/80/49/30/459804930.db2.gz DCBNHHNXTSGNSW-UHFFFAOYSA-N -1 3 342.420 3.223 10 30 EGEEHM CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)C(F)(F)F ZINC000593278510 459827329 /nfs/dbraw/zinc/82/73/29/459827329.db2.gz PWAWOGHDTSZTHL-ZDUSSCGKSA-N -1 3 348.390 3.353 10 30 EGEEHM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593530356 459916884 /nfs/dbraw/zinc/91/68/84/459916884.db2.gz JMJDRRVUQGAQSI-LLVKDONJSA-N -1 3 336.438 3.058 10 30 EGEEHM CC1(c2ccccc2)CC([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593544132 459919256 /nfs/dbraw/zinc/91/92/56/459919256.db2.gz QQAARSWIOMQBDD-UHFFFAOYSA-N -1 3 332.450 3.018 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCCC1 ZINC000593624379 459937074 /nfs/dbraw/zinc/93/70/74/459937074.db2.gz UALKJVDTQNLIAM-UHFFFAOYSA-N -1 3 332.400 3.341 10 30 EGEEHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000621989643 460150721 /nfs/dbraw/zinc/15/07/21/460150721.db2.gz PSGIZQFYYYUWPS-IINYFYTJSA-N -1 3 329.318 3.122 10 30 EGEEHM COCCCn1c(=O)[n-]nc1S[C@H](C#N)c1ccc(Cl)cc1 ZINC000619863673 460456232 /nfs/dbraw/zinc/45/62/32/460456232.db2.gz INLISBLZVDZAOF-GFCCVEGCSA-N -1 3 338.820 3.031 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc(C#N)c1 ZINC000613346854 460917701 /nfs/dbraw/zinc/91/77/01/460917701.db2.gz NWMFTNOYKFFXDX-JTQLQIEISA-N -1 3 338.791 3.390 10 30 EGEEHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H]1CCC[C@H]1C#N ZINC000634197747 461467772 /nfs/dbraw/zinc/46/77/72/461467772.db2.gz LQZLTFZGUANIIN-HKUYNNGSSA-N -1 3 348.402 3.387 10 30 EGEEHM C=C[C@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000129652689 546788907 /nfs/dbraw/zinc/78/89/07/546788907.db2.gz HFSYENDRSNTHPR-OAHLLOKOSA-N -1 3 333.395 3.089 10 30 EGEEHM C=C[C@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000129652689 546788911 /nfs/dbraw/zinc/78/89/11/546788911.db2.gz HFSYENDRSNTHPR-OAHLLOKOSA-N -1 3 333.395 3.089 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@H](C)CCC[C@H]1C ZINC000169982305 564104069 /nfs/dbraw/zinc/10/40/69/564104069.db2.gz YZFDQWPDMUUBNQ-CHWSQXEVSA-N -1 3 343.471 3.079 10 30 EGEEHM CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cccc(OC)c2[O-])c1 ZINC000733773576 575392145 /nfs/dbraw/zinc/39/21/45/575392145.db2.gz AHDNKLHKFHMWEM-AWEZNQCLSA-N -1 3 340.379 3.012 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000893794678 1306076076 /nfs/dbraw/zinc/07/60/76/1306076076.db2.gz JHYKYDPMZUWOLW-DZKIICNBSA-N -1 3 328.412 3.188 10 30 EGEEHM COc1cc(OC)c(CN[C@@H](C)c2cccc(C#N)c2[O-])c(OC)c1 ZINC000866237199 1330083051 /nfs/dbraw/zinc/08/30/51/1330083051.db2.gz GFMMCAREXFVKBM-LBPRGKRZSA-N -1 3 342.395 3.140 10 30 EGEEHM O=C(c1cc(C(F)(F)F)ncn1)N([O-])Cc1ccccc1Cl ZINC001184283509 1387422631 /nfs/dbraw/zinc/42/26/31/1387422631.db2.gz MOJMOLUGSZVARX-UHFFFAOYSA-N -1 3 331.681 3.180 10 30 EGEEHM C#C[C@@H]([N-]C(=O)C(F)(F)CC=C)c1ccc(Br)cc1 ZINC001129730971 1373417845 /nfs/dbraw/zinc/41/78/45/1373417845.db2.gz OSTXHMXWCWUZOS-GFCCVEGCSA-N -1 3 328.156 3.451 10 30 EGEEHM COc1cnc(F)c(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001161842344 1382526569 /nfs/dbraw/zinc/52/65/69/1382526569.db2.gz BLMKYBALUMYYHK-UHFFFAOYSA-N -1 3 326.327 3.414 10 30 EGEEHM C#CC1([N-]S(=O)(=O)c2nc(C)sc2-c2ccccc2)CCCC1 ZINC001309797522 1384196933 /nfs/dbraw/zinc/19/69/33/1384196933.db2.gz LNACZMSVYMMTNA-UHFFFAOYSA-N -1 3 346.477 3.343 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688228888 1396810094 /nfs/dbraw/zinc/81/00/94/1396810094.db2.gz ILKVNLGDZHFPSQ-CVEARBPZSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C[C@H](C)[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001701149024 1414812617 /nfs/dbraw/zinc/81/26/17/1414812617.db2.gz APONZYWNZJJLEK-LSDHHAIUSA-N -1 3 346.471 3.065 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001721955408 1423878418 /nfs/dbraw/zinc/87/84/18/1423878418.db2.gz IZWSQLQSKPHVFJ-RDJZCZTQSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001748047551 1440052655 /nfs/dbraw/zinc/05/26/55/1440052655.db2.gz FWGKQVQOKNSKAC-KRWDZBQOSA-N -1 3 344.455 3.153 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1 ZINC000010638891 211182832 /nfs/dbraw/zinc/18/28/32/211182832.db2.gz MODKZDKTOHYJPR-UHFFFAOYSA-N -1 3 344.440 3.015 10 30 EGEEHM CCCc1ccc(-c2cc(=NC(=O)c3cc(C#N)oc3C)[nH][n-]2)cc1 ZINC000438258696 267042352 /nfs/dbraw/zinc/04/23/52/267042352.db2.gz KPHNKDOGOLVJHZ-UHFFFAOYSA-N -1 3 334.379 3.477 10 30 EGEEHM N#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])s1 ZINC000443570261 268206419 /nfs/dbraw/zinc/20/64/19/268206419.db2.gz WUPSQPKIZUPARI-UHFFFAOYSA-N -1 3 328.271 3.476 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c1 ZINC000356513371 294917929 /nfs/dbraw/zinc/91/79/29/294917929.db2.gz YIAKPDPIVOKULY-JTQLQIEISA-N -1 3 334.775 3.068 10 30 EGEEHM Cn1cc(C#N)cc1C(=O)Nc1cc(Cc2ccccc2)ccc1[O-] ZINC000176222220 323327278 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N#C[C@]1([N-]S(=O)(=O)/C=C/c2ccccc2)CCc2ccccc2C1 ZINC000185145633 455509896 /nfs/dbraw/zinc/50/98/96/455509896.db2.gz JLWUPEOHBVUPCU-BPOBUFBUSA-N -1 3 338.432 3.028 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000295653255 455856494 /nfs/dbraw/zinc/85/64/94/455856494.db2.gz FLZDKZHSJPIHMD-CABZTGNLSA-N -1 3 333.240 3.354 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H]1CC=CCC1 ZINC000343600356 456735017 /nfs/dbraw/zinc/73/50/17/456735017.db2.gz FMAVMEWNBLWQET-HNNXBMFYSA-N -1 3 327.428 3.023 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000354702956 457312230 /nfs/dbraw/zinc/31/22/30/457312230.db2.gz GQMWZLAXFGLWAF-XUJVJEKNSA-N -1 3 329.444 3.101 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)NCc3cc(C#N)ccc3F)c([O-])c2O1 ZINC000436590911 458341145 /nfs/dbraw/zinc/34/11/45/458341145.db2.gz OSHGMBDEYXWDGV-UHFFFAOYSA-N -1 3 340.354 3.046 10 30 EGEEHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccn2)C1 ZINC000547806507 458796955 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N#Cc1cncc(CNC(=O)c2cc(Oc3ccccc3)ccc2[O-])c1 ZINC001303861744 1383816821 /nfs/dbraw/zinc/81/68/21/1383816821.db2.gz OUJICDUZKRJKSK-UHFFFAOYSA-N -1 3 345.358 3.381 10 30 EGEEHM COC(=O)c1ccnc(C(=O)N([O-])Cc2cccc3ccccc32)c1 ZINC001306901276 1383917672 /nfs/dbraw/zinc/91/76/72/1383917672.db2.gz ZKRMCIGHOBMENK-UHFFFAOYSA-N -1 3 336.347 3.053 10 30 EGEEHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001309747138 1384195028 /nfs/dbraw/zinc/19/50/28/1384195028.db2.gz RRMMLAPIUJBGKH-UHFFFAOYSA-N -1 3 330.381 3.005 10 30 EGEEHM C=CC[S@@](=O)(=NC(=O)c1cc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC001180150692 1386715025 /nfs/dbraw/zinc/71/50/25/1386715025.db2.gz MUMDYRMHPSBIAM-QHCPKHFHSA-N -1 3 343.330 3.282 10 30 EGEEHM C=CC[S@@](=O)(=NC(=O)c1cc(C(F)(F)F)[n-]n1)c1ccccc1 ZINC001180150692 1386715031 /nfs/dbraw/zinc/71/50/31/1386715031.db2.gz MUMDYRMHPSBIAM-QHCPKHFHSA-N -1 3 343.330 3.282 10 30 EGEEHM C=CCCCC(=O)NCCC[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001495781198 1396557495 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CCC(C)(C)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000553534361 315268936 /nfs/dbraw/zinc/26/89/36/315268936.db2.gz MFBPJTFDTSOKNG-UHFFFAOYSA-N -1 3 332.425 3.317 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H](CC(=O)OCC)c1ccc(F)cc1 ZINC000293959797 455801736 /nfs/dbraw/zinc/80/17/36/455801736.db2.gz CIWQCJSTZWBEHR-ZDUSSCGKSA-N -1 3 329.318 3.148 10 30 EGEEHM O=C1CS/C(=N\N=C\c2ccccc2[O-])N1c1cccc(F)c1 ZINC000013468335 453464053 /nfs/dbraw/zinc/46/40/53/453464053.db2.gz ZIOYKMWSNZQDOK-RQBLTKDGSA-N -1 3 329.356 3.001 10 30 EGEEHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000620310082 460608992 /nfs/dbraw/zinc/60/89/92/460608992.db2.gz VRHYZUCOVWQNSH-OKILXGFUSA-N -1 3 326.371 3.299 10 30 EGEEHM N#CC(=C([O-])c1ccc(-c2nc(C3CC3)no2)cc1)c1ccccn1 ZINC000083764290 453959237 /nfs/dbraw/zinc/95/92/37/453959237.db2.gz OFBLTQNSBBQTSZ-HNNXBMFYSA-N -1 3 330.347 3.499 10 30 EGEEHM O=C(Nc1nnc(-c2cccs2)[n-]1)[C@H]1CC(=O)Nc2ccccc21 ZINC000095394883 454202031 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COCCOc1cncc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000338689544 456852984 /nfs/dbraw/zinc/85/29/84/456852984.db2.gz WBWSMSRIGRPWLT-SFHVURJKSA-N -1 3 347.374 3.145 10 30 EGEEHM CC(C)C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cccs1 ZINC000428241596 458104483 /nfs/dbraw/zinc/10/44/83/458104483.db2.gz RJRDWJMPHYSAKG-LBPRGKRZSA-N -1 3 335.454 3.080 10 30 EGEEHM N#Cc1ccnc([N-]C(=O)c2c(F)ccc(Br)c2F)c1 ZINC000362521562 458241456 /nfs/dbraw/zinc/24/14/56/458241456.db2.gz VBDOIMIYUDGWTF-UHFFFAOYSA-N -1 3 338.111 3.246 10 30 EGEEHM COCCCOc1cccc(NC(=O)[N-]c2snc(C)c2C#N)c1 ZINC000459579871 458418477 /nfs/dbraw/zinc/41/84/77/458418477.db2.gz JEYMOQYFGSLFIO-UHFFFAOYSA-N -1 3 346.412 3.383 10 30 EGEEHM CC(C)([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CCC1 ZINC000451865618 458489751 /nfs/dbraw/zinc/48/97/51/458489751.db2.gz KMCIERYLJMLHCV-UHFFFAOYSA-N -1 3 346.374 3.434 10 30 EGEEHM CC(C)(C)Oc1ccc(NC(=O)NCc2ncccc2[O-])cc1C#N ZINC000455776699 458614315 /nfs/dbraw/zinc/61/43/15/458614315.db2.gz SFAQDIHPTKDLSO-UHFFFAOYSA-N 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/nfs/dbraw/zinc/28/40/37/459284037.db2.gz ZBCLXBHWYUOVLO-PKSQDBQZSA-N -1 3 344.839 3.407 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CCC(F)CC2)c(Cl)c1 ZINC000592102391 459524859 /nfs/dbraw/zinc/52/48/59/459524859.db2.gz HDIKXLLCEMVNNL-UHFFFAOYSA-N -1 3 330.812 3.018 10 30 EGEEHM C=CCC(C)(C)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000489907676 459572983 /nfs/dbraw/zinc/57/29/83/459572983.db2.gz PBYYOLINNYMZPM-UHFFFAOYSA-N -1 3 326.234 3.416 10 30 EGEEHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593276890 459827394 /nfs/dbraw/zinc/82/73/94/459827394.db2.gz ZHJSIMKYKUJODS-SECBINFHSA-N -1 3 341.285 3.413 10 30 EGEEHM Cc1cccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CCC2)c1 ZINC000593611924 459932769 /nfs/dbraw/zinc/93/27/69/459932769.db2.gz FJOWGMSGYNYKQB-UHFFFAOYSA-N -1 3 332.450 3.286 10 30 EGEEHM N#C[C@@]1(F)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000615645413 460366676 /nfs/dbraw/zinc/36/66/76/460366676.db2.gz NUEHCXJKRYZTFO-INIZCTEOSA-N -1 3 344.371 3.094 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC23CC3)c(C(F)(F)F)c1 ZINC000601481869 460819329 /nfs/dbraw/zinc/81/93/29/460819329.db2.gz KMPDLJSJERJCBD-ZDUSSCGKSA-N -1 3 344.358 3.188 10 30 EGEEHM C=C[C@@H](CC(=O)Nc1ccc(Cc2nnn[n-]2)cc1)c1ccccc1 ZINC000129652482 546789573 /nfs/dbraw/zinc/78/95/73/546789573.db2.gz HFSYENDRSNTHPR-HNNXBMFYSA-N -1 3 333.395 3.089 10 30 EGEEHM C=C[C@@H](CC(=O)Nc1ccc(Cc2nn[n-]n2)cc1)c1ccccc1 ZINC000129652482 546789580 /nfs/dbraw/zinc/78/95/80/546789580.db2.gz HFSYENDRSNTHPR-HNNXBMFYSA-N -1 3 333.395 3.089 10 30 EGEEHM C=CCC1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CCCCC1 ZINC000450113519 547931447 /nfs/dbraw/zinc/93/14/47/547931447.db2.gz PGJIBDINFDVOTN-UHFFFAOYSA-N -1 3 325.416 3.256 10 30 EGEEHM C=CCC1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CCCCC1 ZINC000450113519 547931452 /nfs/dbraw/zinc/93/14/52/547931452.db2.gz PGJIBDINFDVOTN-UHFFFAOYSA-N -1 3 325.416 3.256 10 30 EGEEHM CCCCCCC[C@]1(C)NC(=O)N(N=Cc2nc(C)ccc2[O-])C1=O ZINC000728779338 574770629 /nfs/dbraw/zinc/77/06/29/574770629.db2.gz LMULUTLSKWYPJF-SFHVURJKSA-N -1 3 346.431 3.101 10 30 EGEEHM C#C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000929764425 1328693239 /nfs/dbraw/zinc/69/32/39/1328693239.db2.gz UFHFALQAPZOTJD-MRXNPFEDSA-N -1 3 336.395 3.177 10 30 EGEEHM C=CCCC[C@H](C(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1ccccc1 ZINC000913296142 1319001338 /nfs/dbraw/zinc/00/13/38/1319001338.db2.gz WYMWXRVDLRXCAZ-INIZCTEOSA-N -1 3 337.423 3.473 10 30 EGEEHM N#Cc1cccc(SCc2nc3c(c(=O)[n-]2)COCC3)c1Cl ZINC000920289115 1322159778 /nfs/dbraw/zinc/15/97/78/1322159778.db2.gz IYGLAVVYORIJEY-UHFFFAOYSA-N -1 3 333.800 3.072 10 30 EGEEHM CC[C@@H](NCc1c(Br)cnn1C)c1cccc(C#N)c1[O-] ZINC000926782315 1327715308 /nfs/dbraw/zinc/71/53/08/1327715308.db2.gz YDOOFZZPZYENPL-CYBMUJFWSA-N -1 3 349.232 3.001 10 30 EGEEHM COC(=O)c1cc(C(=O)N([O-])Cc2ccccc2Cl)ccc1C ZINC001184283442 1387422607 /nfs/dbraw/zinc/42/26/07/1387422607.db2.gz KBZMFOZVQPITLH-UHFFFAOYSA-N -1 3 333.771 3.467 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001280794235 1378378919 /nfs/dbraw/zinc/37/89/19/1378378919.db2.gz PGJIBJKTCCZCIH-IFXJQAMLSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCCO[N-]C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001149452257 1379383983 /nfs/dbraw/zinc/38/39/83/1379383983.db2.gz QAJHIXFTLNTLHB-CABCVRRESA-N -1 3 340.464 3.474 10 30 EGEEHM C#C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC001157507854 1380949450 /nfs/dbraw/zinc/94/94/50/1380949450.db2.gz KHDDPMRGAOHTMT-OAHLLOKOSA-N -1 3 335.737 3.357 10 30 EGEEHM C=CCCCC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288229103 1381740893 /nfs/dbraw/zinc/74/08/93/1381740893.db2.gz HTFVSXCTTYSVPM-INIZCTEOSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCCCC(=O)N[C@H](C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001288264927 1381755925 /nfs/dbraw/zinc/75/59/25/1381755925.db2.gz AKVLWQFEKHIIOZ-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM COC(=O)c1cc(C)cc(C(=O)N([O-])Cc2ccccc2Cl)c1 ZINC001161807436 1382513297 /nfs/dbraw/zinc/51/32/97/1382513297.db2.gz IWKPVKARWXWCES-UHFFFAOYSA-N -1 3 333.771 3.467 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC001161826671 1382521772 /nfs/dbraw/zinc/52/17/72/1382521772.db2.gz JFQDVKPXOWCOON-CYBMUJFWSA-N -1 3 330.494 3.122 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297549320 1383182820 /nfs/dbraw/zinc/18/28/20/1383182820.db2.gz NSCLQTDDUUTEFX-VQTJNVASSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001297907108 1383285566 /nfs/dbraw/zinc/28/55/66/1383285566.db2.gz ZLEFNXOGURJDSW-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM CCCCN([O-])C(=O)C1(CNC(=O)OCc2ccccc2)CCCC1 ZINC001306897694 1383916648 /nfs/dbraw/zinc/91/66/48/1383916648.db2.gz YHXBJFOXWUYHJP-UHFFFAOYSA-N -1 3 348.443 3.491 10 30 EGEEHM C=CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccoc1 ZINC001318378678 1385661393 /nfs/dbraw/zinc/66/13/93/1385661393.db2.gz KYFOPVNZWSDNBT-UHFFFAOYSA-N -1 3 341.392 3.190 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](CNC(=O)c2ccccc2[O-])C1 ZINC001338364201 1389654628 /nfs/dbraw/zinc/65/46/28/1389654628.db2.gz UGBILONYIXBNJP-HUUCEWRRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCC1(CCNC(=O)c2ccccc2[O-])CC1 ZINC001340499469 1390299797 /nfs/dbraw/zinc/29/97/97/1390299797.db2.gz PDZDPTYIHZTKGE-IBGZPJMESA-N -1 3 344.455 3.011 10 30 EGEEHM C=CCOc1cccc(CN2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001350612996 1391489609 /nfs/dbraw/zinc/48/96/09/1391489609.db2.gz WKDHFYHYJPNNTD-KGLIPLIRSA-N -1 3 343.345 3.336 10 30 EGEEHM C=CCCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CCCCC1 ZINC001726064776 1426774772 /nfs/dbraw/zinc/77/47/72/1426774772.db2.gz XPLFDJBHPHKLOG-UHFFFAOYSA-N -1 3 344.455 3.297 10 30 EGEEHM C=C1CCC(C(=O)N(CCC)CCNC(=O)c2ccccc2[O-])CC1 ZINC001704372571 1416468195 /nfs/dbraw/zinc/46/81/95/1416468195.db2.gz TXOPDCXVMGATSH-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720572567 1422713165 /nfs/dbraw/zinc/71/31/65/1422713165.db2.gz FYYPHBFJKVFWKM-GDBMZVCRSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CCCCC(=O)NC[C@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001721955407 1423878228 /nfs/dbraw/zinc/87/82/28/1423878228.db2.gz IZWSQLQSKPHVFJ-NVXWUHKLSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](CC)CNC(=O)c2ccccc2[O-])CCCC1 ZINC001738105704 1438994230 /nfs/dbraw/zinc/99/42/30/1438994230.db2.gz XKRMZHIWGINQJD-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001746966441 1439971507 /nfs/dbraw/zinc/97/15/07/1439971507.db2.gz WOGDPKVOHJXIEO-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001759572024 1441311792 /nfs/dbraw/zinc/31/17/92/1441311792.db2.gz WCTJPQBKRAJRMR-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2cc(Br)c(F)cc2F)o1 ZINC000336818273 283132984 /nfs/dbraw/zinc/13/29/84/283132984.db2.gz UVPVRBPFGDUKIZ-UHFFFAOYSA-N -1 3 327.084 3.444 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-]c2c(C)c(F)ccc2Cl)cc1C#N ZINC000427803368 268086422 /nfs/dbraw/zinc/08/64/22/268086422.db2.gz WEHWLSVJDYGJTL-UHFFFAOYSA-N -1 3 339.779 3.163 10 30 EGEEHM N#Cc1ccc(OC2CCN(C(=O)c3cccc([O-])c3)CC2)c(F)c1 ZINC000286826092 268166334 /nfs/dbraw/zinc/16/63/34/268166334.db2.gz YRHCGAKDZWKVNT-UHFFFAOYSA-N -1 3 340.354 3.087 10 30 EGEEHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000428230349 268326315 /nfs/dbraw/zinc/32/63/15/268326315.db2.gz RJNFQJGMAHEOMD-INIZCTEOSA-N -1 3 347.827 3.036 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)s1 ZINC000230337040 456137867 /nfs/dbraw/zinc/13/78/67/456137867.db2.gz CSHVWIAOBZHARB-SSDOTTSWSA-N -1 3 332.859 3.374 10 30 EGEEHM N#Cc1ccnc(SCc2nc3c4ccccc4oc3c(=O)[n-]2)c1 ZINC000069534072 454117237 /nfs/dbraw/zinc/11/72/37/454117237.db2.gz WGMKPEKHUNKRTJ-UHFFFAOYSA-N -1 3 334.360 3.228 10 30 EGEEHM N#CC(=C([O-])c1ccn2cncc2c1)c1nc(-c2ccncc2)cs1 ZINC000097034286 454391734 /nfs/dbraw/zinc/39/17/34/454391734.db2.gz UQXQQCLLIDIHCD-OAHLLOKOSA-N -1 3 345.387 3.343 10 30 EGEEHM CC1C(c2ccc([O-])cc2)=Nc2ncnn2[C@@H]1c1cccc(C#N)c1 ZINC000048303082 454469940 /nfs/dbraw/zinc/46/99/40/454469940.db2.gz LBVTUGHGZLYMRJ-SFHVURJKSA-N -1 3 329.363 3.301 10 30 EGEEHM Cc1ccc2cc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c(C)nc2c1 ZINC000102017699 454492346 /nfs/dbraw/zinc/49/23/46/454492346.db2.gz UZNBXTWZMDGLIT-INIZCTEOSA-N -1 3 344.374 3.208 10 30 EGEEHM COc1ccc(NC(=O)C(C#N)=C([O-])C=C2CCCCC2)cc1OC ZINC000103764314 454567992 /nfs/dbraw/zinc/56/79/92/454567992.db2.gz XQFXMXJGRBLBBY-OAHLLOKOSA-N -1 3 342.395 3.242 10 30 EGEEHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000183675647 455319892 /nfs/dbraw/zinc/31/98/92/455319892.db2.gz CVGDOVJCIIBSGN-NSHDSACASA-N -1 3 341.845 3.098 10 30 EGEEHM Cc1c(Cl)cc(F)c([N-]S(=O)(=O)c2ccc(C#N)o2)c1F ZINC000340937304 456771301 /nfs/dbraw/zinc/77/13/01/456771301.db2.gz KHOJJRSYFQJOLD-UHFFFAOYSA-N -1 3 332.715 3.192 10 30 EGEEHM COc1cc2c(cc1C([O-])=C(C#N)c1nc(C(C)C)cs1)OCO2 ZINC000354353692 457187063 /nfs/dbraw/zinc/18/70/63/457187063.db2.gz QNJBGUHMRQALLQ-NSHDSACASA-N -1 3 344.392 3.494 10 30 EGEEHM Cn1c2ccc(C([O-])=C(C#N)c3ccccn3)cc2nc1C(F)F ZINC000342635411 457418519 /nfs/dbraw/zinc/41/85/19/457418519.db2.gz KEIADZHUEBYIHJ-NSHDSACASA-N -1 3 326.306 3.396 10 30 EGEEHM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1nccc2ccccc21 ZINC000361519039 457766600 /nfs/dbraw/zinc/76/66/00/457766600.db2.gz MHWWBYWLGAPDAX-QGZVFWFLSA-N -1 3 339.358 3.306 10 30 EGEEHM N#Cc1csc(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])c1 ZINC000443560237 457780430 /nfs/dbraw/zinc/78/04/30/457780430.db2.gz QCCYVUVVGOBCNM-UHFFFAOYSA-N -1 3 328.271 3.476 10 30 EGEEHM C=CCCCN(C)C(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000444255636 457874786 /nfs/dbraw/zinc/87/47/86/457874786.db2.gz CKZLKQONILQZCM-UHFFFAOYSA-N -1 3 349.228 3.329 10 30 EGEEHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1C ZINC000435732297 458192807 /nfs/dbraw/zinc/19/28/07/458192807.db2.gz OHYBYWYZJRVSFD-UHFFFAOYSA-N -1 3 330.409 3.293 10 30 EGEEHM N#Cc1csc(CN[C@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417577798 458365146 /nfs/dbraw/zinc/36/51/46/458365146.db2.gz MLCKHWYLVVXGOZ-CHGJFTSJSA-N -1 3 345.468 3.164 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000451731413 458486188 /nfs/dbraw/zinc/48/61/88/458486188.db2.gz BQSHVUANVDWCJT-UWVGGRQHSA-N -1 3 333.240 3.354 10 30 EGEEHM C[C@@H](C#N)CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)C1CC1 ZINC000548378273 458871061 /nfs/dbraw/zinc/87/10/61/458871061.db2.gz HRNHUIDYBUXEFK-AWEZNQCLSA-N -1 3 348.402 3.387 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC000594771985 459152835 /nfs/dbraw/zinc/15/28/35/459152835.db2.gz UUWOPDFZFUXPFN-JYAVWHMHSA-N -1 3 332.450 3.158 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc2c(n1)CCCC2 ZINC000533545790 459252494 /nfs/dbraw/zinc/25/24/94/459252494.db2.gz CPPJVMGMLLGJKR-AWEZNQCLSA-N -1 3 330.391 3.337 10 30 EGEEHM Cc1cc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c(C)s1 ZINC000593529587 459917238 /nfs/dbraw/zinc/91/72/38/459917238.db2.gz BUYWISSMPKMMDB-VIFPVBQESA-N -1 3 326.468 3.338 10 30 EGEEHM Cc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)C1CC1 ZINC000593546538 459920893 /nfs/dbraw/zinc/92/08/93/459920893.db2.gz WYEKWMBFLRKIMC-INIZCTEOSA-N -1 3 332.450 3.358 10 30 EGEEHM COc1ccccc1[C@@H](NCc1ccc(C(C)(C)C#N)cc1)C(=O)[O-] ZINC000593948241 460024137 /nfs/dbraw/zinc/02/41/37/460024137.db2.gz VQJRFBVGTRAPPG-GOSISDBHSA-N -1 3 338.407 3.412 10 30 EGEEHM Cc1nc([N-]C(=O)c2ocnc2C(F)F)sc1SCC#N ZINC000599247590 460204569 /nfs/dbraw/zinc/20/45/69/460204569.db2.gz FLPHGONCHKGHJB-UHFFFAOYSA-N -1 3 330.341 3.245 10 30 EGEEHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1ccc(C#N)c([O-])c1 ZINC000615479517 460335958 /nfs/dbraw/zinc/33/59/58/460335958.db2.gz HLUUKFUGJXIWIV-INIZCTEOSA-N -1 3 349.434 3.000 10 30 EGEEHM O=C(c1coc(-c2cccnc2)n1)N([O-])Cc1ccccc1Cl ZINC001184293185 1387423614 /nfs/dbraw/zinc/42/36/14/1387423614.db2.gz ISFWBQADJZPREC-UHFFFAOYSA-N -1 3 329.743 3.422 10 30 EGEEHM N#C[C@H]([N-]C(=O)c1c(F)ccnc1F)c1cccc(C(F)(F)F)c1 ZINC001127755329 1373174151 /nfs/dbraw/zinc/17/41/51/1373174151.db2.gz BEUMWAIJXZWUPS-NSHDSACASA-N -1 3 341.239 3.373 10 30 EGEEHM CCc1cc(C#N)ccc1OC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC001128369193 1373257412 /nfs/dbraw/zinc/25/74/12/1373257412.db2.gz BJEFWQDMLAGCCZ-UHFFFAOYSA-N -1 3 336.307 3.124 10 30 EGEEHM C[C@H]1CCC[C@](C#N)(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136934460 1377442966 /nfs/dbraw/zinc/44/29/66/1377442966.db2.gz NASCEABPTPWWJF-VOJFVSQTSA-N -1 3 343.814 3.384 10 30 EGEEHM C#CCOc1cccc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)c1 ZINC001160782834 1382194778 /nfs/dbraw/zinc/19/47/78/1382194778.db2.gz UBPOMTOLMQJZCJ-UHFFFAOYSA-N -1 3 332.359 3.101 10 30 EGEEHM O=C(c1cc(F)c[nH]c1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161782801 1382505091 /nfs/dbraw/zinc/50/50/91/1382505091.db2.gz ACFZBZGREAJNBR-UHFFFAOYSA-N -1 3 331.130 3.265 10 30 EGEEHM N#Cc1ccc2c(c1)CN(C(=O)c1cc([O-])cc(Br)c1)C2 ZINC001163382418 1383037295 /nfs/dbraw/zinc/03/72/95/1383037295.db2.gz GCSOXDJFWILNMV-UHFFFAOYSA-N -1 3 343.180 3.182 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC001306896672 1383916549 /nfs/dbraw/zinc/91/65/49/1383916549.db2.gz IEYYTSOCDJRYEC-AWEZNQCLSA-N -1 3 336.407 3.285 10 30 EGEEHM O=C([C@@H]1CCN(c2ccccc2F)C1)N([O-])Cc1ccc(F)cc1 ZINC001306898796 1383916858 /nfs/dbraw/zinc/91/68/58/1383916858.db2.gz QRWYXGKQNWJTHF-CQSZACIVSA-N -1 3 332.350 3.209 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C/C=C\C)C1 ZINC001339014834 1389859519 /nfs/dbraw/zinc/85/95/19/1389859519.db2.gz MEHSZXBTSDVIRM-HSBHDXMMSA-N -1 3 329.404 3.007 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H](CCCC)NC(=O)c1ccccc1[O-] ZINC001334803232 1390594054 /nfs/dbraw/zinc/59/40/54/1390594054.db2.gz MRQQVPFGABJSSB-OAHLLOKOSA-N -1 3 346.471 3.399 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001688112943 1396728672 /nfs/dbraw/zinc/72/86/72/1396728672.db2.gz DWMGXWKKHCITDY-NODKNVJMSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001702434918 1415574584 /nfs/dbraw/zinc/57/45/84/1415574584.db2.gz FQGHWGBOKZGBTB-DJIMGWMZSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001703975372 1416217377 /nfs/dbraw/zinc/21/73/77/1416217377.db2.gz WRZLNSXVDCHWPJ-JKSUJKDBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001736183457 1438657217 /nfs/dbraw/zinc/65/72/17/1438657217.db2.gz FQGGTEPUIMVYBL-HYVNUMGLSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@H]1CCCNC(=O)c1ccccc1[O-] ZINC001737684756 1438864080 /nfs/dbraw/zinc/86/40/80/1438864080.db2.gz ZEEBTLGPCZKCSC-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@H](CCNC(=O)c1ccccc1[O-])C(C)C ZINC001738704851 1439170940 /nfs/dbraw/zinc/17/09/40/1439170940.db2.gz MXYWQINGYKFCSP-OXQOHEQNSA-N -1 3 346.471 3.255 10 30 EGEEHM Cc1cc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Cl)cc1F ZINC000319933145 154163416 /nfs/dbraw/zinc/16/34/16/154163416.db2.gz NWUPLHTYMAWLBS-UHFFFAOYSA-N -1 3 339.779 3.163 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1Cl ZINC000105389819 162055698 /nfs/dbraw/zinc/05/56/98/162055698.db2.gz KJZORKVRRPZYJO-UHFFFAOYSA-N -1 3 346.717 3.430 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C/C=C/c2ccccc2)c1 ZINC000184659999 268099091 /nfs/dbraw/zinc/09/90/91/268099091.db2.gz XEUDQNIEEODEPP-QPJJXVBHSA-N -1 3 332.812 3.203 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000443033636 268159652 /nfs/dbraw/zinc/15/96/52/268159652.db2.gz GGLFFVSFIGBYRO-AWEZNQCLSA-N -1 3 346.839 3.047 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000479911610 268182009 /nfs/dbraw/zinc/18/20/09/268182009.db2.gz FRUUZUREBSWKMT-DAXSKMNVSA-N -1 3 332.812 3.203 10 30 EGEEHM C(=[NH+][N-]c1nnc(SCc2ccncc2)[n-]1)c1c[nH]c2ccccc12 ZINC000005936927 452912424 /nfs/dbraw/zinc/91/24/24/452912424.db2.gz JOXZTEUTWZCEBO-KEBDBYFISA-N -1 3 349.423 3.419 10 30 EGEEHM C(=NNc1nnc(SCc2ccncc2)[n-]1)c1c[nH]c2ccccc12 ZINC000005936927 452912428 /nfs/dbraw/zinc/91/24/28/452912428.db2.gz JOXZTEUTWZCEBO-KEBDBYFISA-N -1 3 349.423 3.419 10 30 EGEEHM C/C=C/C[C@@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000600801972 460609750 /nfs/dbraw/zinc/60/97/50/460609750.db2.gz BRSWCMAHFNLSDF-DWTRPJMMSA-N -1 3 341.455 3.413 10 30 EGEEHM N#Cc1cnc(Sc2nnc([N-]c3ccccc3F)s2)cn1 ZINC000120625616 454326499 /nfs/dbraw/zinc/32/64/99/454326499.db2.gz GUBMBTDWBPZFMP-UHFFFAOYSA-N -1 3 330.373 3.234 10 30 EGEEHM COc1cc(C=N[O-])c(Br)c(Br)c1OC ZINC000252617345 455823492 /nfs/dbraw/zinc/82/34/92/455823492.db2.gz KQWPFWQJDPHKBD-UHFFFAOYSA-N -1 3 338.983 3.037 10 30 EGEEHM COC(=O)C[C@H](/N=C\c1ccccc1[O-])c1ccc(OC)cc1OC ZINC000271039732 456107579 /nfs/dbraw/zinc/10/75/79/456107579.db2.gz HZAUOCTZLCIYPJ-DEFALTHMSA-N -1 3 343.379 3.133 10 30 EGEEHM C=C(CC)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000313476906 456598525 /nfs/dbraw/zinc/59/85/25/456598525.db2.gz BPHNGFLTQRXBIJ-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM CN1CCc2ccc(S(=O)(=O)[N-]c3ccc(C#N)cc3Cl)cc21 ZINC000362849946 457124470 /nfs/dbraw/zinc/12/44/70/457124470.db2.gz IWOHEROINDNYOH-UHFFFAOYSA-N -1 3 347.827 3.005 10 30 EGEEHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000354703509 457312561 /nfs/dbraw/zinc/31/25/61/457312561.db2.gz ZLLAFCPOOCQFMO-SECBINFHSA-N -1 3 340.754 3.221 10 30 EGEEHM N#Cc1cccc(NC(=O)Cc2ccc(Br)cc2[O-])c1 ZINC000357307362 457434796 /nfs/dbraw/zinc/43/47/96/457434796.db2.gz RBDTXMOHWGWVHH-UHFFFAOYSA-N -1 3 331.169 3.208 10 30 EGEEHM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nccc2ccccc21 ZINC000361538668 457779623 /nfs/dbraw/zinc/77/96/23/457779623.db2.gz CZLVCDXZKPFYBN-GOSISDBHSA-N -1 3 339.358 3.306 10 30 EGEEHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3nccc4ccccc43)cc12 ZINC000361542964 457783428 /nfs/dbraw/zinc/78/34/28/457783428.db2.gz JCRYXDUGCIDGAZ-KRWDZBQOSA-N -1 3 341.374 3.315 10 30 EGEEHM C=CCOc1ccccc1CNCCc1nc(C)c(C(=O)[O-])s1 ZINC000426679131 457877409 /nfs/dbraw/zinc/87/74/09/457877409.db2.gz UBFWDNIEDORMTK-UHFFFAOYSA-N -1 3 332.425 3.047 10 30 EGEEHM COCc1nc(C(=O)[N-]c2ccccc2S[C@H](C)CC#N)co1 ZINC000547521685 458755243 /nfs/dbraw/zinc/75/52/43/458755243.db2.gz NLSBZNPQCZIJOQ-LLVKDONJSA-N -1 3 331.397 3.468 10 30 EGEEHM N#CCCCOc1cccc(CN[C@@H](CC(=O)[O-])c2ccncc2)c1 ZINC000577294880 459014034 /nfs/dbraw/zinc/01/40/34/459014034.db2.gz VKGJHOKTOCCVPS-SFHVURJKSA-N -1 3 339.395 3.070 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1cc2c(s1)CCCC2 ZINC000593533714 459917169 /nfs/dbraw/zinc/91/71/69/459917169.db2.gz BTNCVSOCCDJFNM-UHFFFAOYSA-N -1 3 338.479 3.039 10 30 EGEEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000599444741 460254573 /nfs/dbraw/zinc/25/45/73/460254573.db2.gz DKNVGHGWKRMNNO-UHFFFAOYSA-N -1 3 334.363 3.047 10 30 EGEEHM N#CC(=C([O-])c1ccnn1C1CCOCC1)c1nccc2ccccc21 ZINC000659114765 461166003 /nfs/dbraw/zinc/16/60/03/461166003.db2.gz GRRQEUJXBIWGEF-QGZVFWFLSA-N -1 3 346.390 3.273 10 30 EGEEHM CCOC(=O)CC[C@@H](C)/N=C\c1cc(Br)ccc1[O-] ZINC000760230086 574978818 /nfs/dbraw/zinc/97/88/18/574978818.db2.gz WWTPILWZENWLFE-MQHRVFIMSA-N -1 3 328.206 3.305 10 30 EGEEHM O=S(=O)(CCc1ccccc1)[N-]N=C1CC(c2ccccc2F)C1 ZINC000743448272 576809359 /nfs/dbraw/zinc/80/93/59/576809359.db2.gz HUASJYRJWWTTIG-UHFFFAOYSA-N -1 3 346.427 3.221 10 30 EGEEHM Cc1ncc(CO)c(/C=N/CC(F)(F)c2ccc(F)cc2F)c1[O-] ZINC000871596849 1296447679 /nfs/dbraw/zinc/44/76/79/1296447679.db2.gz FQICWJZHDFDTDC-AERZKKPOSA-N -1 3 342.292 3.077 10 30 EGEEHM C=CCCC[C@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccccc1 ZINC000879261252 1300458166 /nfs/dbraw/zinc/45/81/66/1300458166.db2.gz HKFPDYDHGFSCIH-INIZCTEOSA-N -1 3 337.423 3.207 10 30 EGEEHM C=CCCC[C@H](C(=O)N1CCc2c(=O)[n-]cnc2C1)c1ccccc1 ZINC000879446678 1300541967 /nfs/dbraw/zinc/54/19/67/1300541967.db2.gz MVPFVICQPBLREP-INIZCTEOSA-N -1 3 337.423 3.207 10 30 EGEEHM C#CCC1(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000886652494 1303540901 /nfs/dbraw/zinc/54/09/01/1303540901.db2.gz QYSJGZLFEZKZFW-UHFFFAOYSA-N -1 3 339.439 3.051 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000893794683 1306075909 /nfs/dbraw/zinc/07/59/09/1306075909.db2.gz JHYKYDPMZUWOLW-SQWLQELKSA-N -1 3 328.412 3.188 10 30 EGEEHM C=CCC[C@@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC000898221070 1310635867 /nfs/dbraw/zinc/63/58/67/1310635867.db2.gz JGYKFFSBUQQNSQ-JKSUJKDBSA-N -1 3 325.412 3.181 10 30 EGEEHM C=CCSc1ccccc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221808 1310636105 /nfs/dbraw/zinc/63/61/05/1310636105.db2.gz QOPPYWOENJOGBI-LBPRGKRZSA-N -1 3 329.425 3.023 10 30 EGEEHM Cc1ncc(CO)c(/C=N\[C@H]2CC[C@H](OCCC(C)C)CC2)c1[O-] ZINC000864345639 1329608796 /nfs/dbraw/zinc/60/87/96/1329608796.db2.gz BHWDKKDUPCDQDP-ILOIAFGNSA-N -1 3 334.460 3.381 10 30 EGEEHM CCCCCCN([O-])C(=O)CCCNC(=O)c1ccc(F)cc1F ZINC001184305785 1387424958 /nfs/dbraw/zinc/42/49/58/1387424958.db2.gz QSMMVCORYQCFSY-UHFFFAOYSA-N -1 3 342.386 3.273 10 30 EGEEHM COCc1ncsc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184340118 1387433453 /nfs/dbraw/zinc/43/34/53/1387433453.db2.gz KUNWNKAKGSJAQM-UHFFFAOYSA-N -1 3 328.393 3.474 10 30 EGEEHM C=CCCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288229104 1381740980 /nfs/dbraw/zinc/74/09/80/1381740980.db2.gz HTFVSXCTTYSVPM-MRXNPFEDSA-N -1 3 332.444 3.009 10 30 EGEEHM C#CCOc1ccccc1CNCc1cccc([O-])c1Br ZINC001308272028 1384115085 /nfs/dbraw/zinc/11/50/85/1384115085.db2.gz QHYBHCCOEKTZJV-UHFFFAOYSA-N -1 3 346.224 3.457 10 30 EGEEHM N#Cc1c(N)sc2c1CCN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC001179869910 1386612745 /nfs/dbraw/zinc/61/27/45/1386612745.db2.gz VAEVLGSXTJQGKJ-UHFFFAOYSA-N -1 3 349.415 3.259 10 30 EGEEHM C#CCC1(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)CCCCC1 ZINC001180221218 1386737839 /nfs/dbraw/zinc/73/78/39/1386737839.db2.gz DTOPLKSJSJMFML-WKILWMFISA-N -1 3 341.455 3.298 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001334895880 1390615192 /nfs/dbraw/zinc/61/51/92/1390615192.db2.gz FCJUXYDTPBKUEO-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM N#CC(C(=O)Cc1cc(C2CC2)no1)=C([O-])C1(c2ccccc2)CC1 ZINC001344022821 1390750676 /nfs/dbraw/zinc/75/06/76/1390750676.db2.gz PKCVRWRBMILWRF-INIZCTEOSA-N -1 3 334.375 3.104 10 30 EGEEHM C#CCCC[C@@H](C)OC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001346569421 1390955256 /nfs/dbraw/zinc/95/52/56/1390955256.db2.gz GNZOMQGCEOELAO-LLVKDONJSA-N -1 3 343.832 3.060 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001738605286 1439152318 /nfs/dbraw/zinc/15/23/18/1439152318.db2.gz XIUZYTXSMAPSJN-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@H](CNC(=O)c1ccccc1[O-])CC(C)C ZINC001746691249 1439922971 /nfs/dbraw/zinc/92/29/71/1439922971.db2.gz MOQLIVYIVLJCBS-OAHLLOKOSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001746966440 1439971545 /nfs/dbraw/zinc/97/15/45/1439971545.db2.gz WOGDPKVOHJXIEO-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@@H](CC)C1 ZINC001747614128 1440000419 /nfs/dbraw/zinc/00/04/19/1440000419.db2.gz LOJNDRPSSDMILY-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=S)N/N=C/c1ccc(O)cc1[O-] ZINC000004322543 210169864 /nfs/dbraw/zinc/16/98/64/210169864.db2.gz YAJSTXFZGRWOCX-OWOYZQKISA-N -1 3 347.484 3.111 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CC(C(C)(C)C)C1 ZINC000356072565 166392359 /nfs/dbraw/zinc/39/23/59/166392359.db2.gz ZWUYYJWIPWAFTJ-UHFFFAOYSA-N -1 3 329.444 3.149 10 30 EGEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc([O-])cc1F ZINC000180854683 280349138 /nfs/dbraw/zinc/34/91/38/280349138.db2.gz AEBHYSVJFAQBLP-KRWDZBQOSA-N -1 3 328.343 3.445 10 30 EGEEHM COc1cccc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)c1[O-] ZINC000153581902 307776267 /nfs/dbraw/zinc/77/62/67/307776267.db2.gz IAGDZUYCELMWAQ-UHFFFAOYSA-N -1 3 326.352 3.312 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000253558989 308034310 /nfs/dbraw/zinc/03/43/10/308034310.db2.gz VAQBXEIEZLEPII-WBHUJUFNSA-N -1 3 341.455 3.245 10 30 EGEEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)C1 ZINC000544706397 314712555 /nfs/dbraw/zinc/71/25/55/314712555.db2.gz VFWMWVCCINYTQP-SAZUREKKSA-N -1 3 344.411 3.230 10 30 EGEEHM COCc1cc(Cl)ccc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000518383546 458863249 /nfs/dbraw/zinc/86/32/49/458863249.db2.gz NBILKHHRXXPAOA-UHFFFAOYSA-N -1 3 330.837 3.168 10 30 EGEEHM N#Cc1ccsc1NC(=O)CSc1n[n-]c(-c2cccs2)n1 ZINC000007980531 453142018 /nfs/dbraw/zinc/14/20/18/453142018.db2.gz FFEJWKPZFGCHOK-UHFFFAOYSA-N -1 3 347.450 3.197 10 30 EGEEHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000053458410 453880269 /nfs/dbraw/zinc/88/02/69/453880269.db2.gz COJZBLLQTYHFCW-UHFFFAOYSA-N -1 3 345.402 3.452 10 30 EGEEHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000088546934 454111734 /nfs/dbraw/zinc/11/17/34/454111734.db2.gz VHXREMXHEFZLRD-UHFFFAOYSA-N -1 3 340.763 3.160 10 30 EGEEHM CC(C)(C)c1cnc(S(=O)(=O)Cc2ccc(C#N)cc2Cl)[n-]1 ZINC000600894181 460632007 /nfs/dbraw/zinc/63/20/07/460632007.db2.gz NBHPBRDJISWLQF-UHFFFAOYSA-N -1 3 337.832 3.206 10 30 EGEEHM CC(C)(C)c1c[n-]c(S(=O)(=O)Cc2ccc(C#N)cc2Cl)n1 ZINC000600894181 460632011 /nfs/dbraw/zinc/63/20/11/460632011.db2.gz NBHPBRDJISWLQF-UHFFFAOYSA-N -1 3 337.832 3.206 10 30 EGEEHM Cc1csc([C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183640504 455315830 /nfs/dbraw/zinc/31/58/30/455315830.db2.gz JPQGSASIARZLEN-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)sc1Cl ZINC000282456119 456520529 /nfs/dbraw/zinc/52/05/29/456520529.db2.gz HOMKFWXAUIYAMQ-UHFFFAOYSA-N -1 3 332.878 3.318 10 30 EGEEHM N#CC(=C([O-])c1cc(F)cc(Cl)c1)c1nnc2n1CCCCC2 ZINC000340857096 456723329 /nfs/dbraw/zinc/72/33/29/456723329.db2.gz FURPNMSBTJJQLZ-CYBMUJFWSA-N -1 3 332.766 3.287 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CCC#N)c(Cl)cc1F ZINC000345044557 456908351 /nfs/dbraw/zinc/90/83/51/456908351.db2.gz UIKDYWDUUDDNEW-UHFFFAOYSA-N -1 3 332.828 3.396 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1Cl ZINC000362918814 457155490 /nfs/dbraw/zinc/15/54/90/457155490.db2.gz QASZZSHHQQJYLT-JTQLQIEISA-N -1 3 334.775 3.068 10 30 EGEEHM N#CC(=C([O-])c1cccc(OCc2cscn2)c1)c1ccncn1 ZINC000354462298 457239254 /nfs/dbraw/zinc/23/92/54/457239254.db2.gz HJSRGHXZUZRKAE-HNNXBMFYSA-N -1 3 336.376 3.002 10 30 EGEEHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000393805274 457467368 /nfs/dbraw/zinc/46/73/68/457467368.db2.gz ZWKSFMUMTNRSNK-LLVKDONJSA-N -1 3 348.262 3.091 10 30 EGEEHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000435590058 458167629 /nfs/dbraw/zinc/16/76/29/458167629.db2.gz UNOGOXVPUKHZPE-XHDPSFHLSA-N -1 3 347.839 3.047 10 30 EGEEHM C[C@@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC000424409461 458634872 /nfs/dbraw/zinc/63/48/72/458634872.db2.gz GNHYYRGRQVYXGQ-QMTHXVAHSA-N -1 3 326.318 3.262 10 30 EGEEHM Cc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)ccc1[O-] ZINC000530059524 458674360 /nfs/dbraw/zinc/67/43/60/458674360.db2.gz CILSDFVQWBGPTE-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM Cc1nc([C@@H]2CCCOC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000578298900 459175786 /nfs/dbraw/zinc/17/57/86/459175786.db2.gz UUGYTYNOZRYTEA-OLZOCXBDSA-N -1 3 327.409 3.231 10 30 EGEEHM Cc1ccc([C@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)cc1 ZINC000593529365 459916777 /nfs/dbraw/zinc/91/67/77/459916777.db2.gz CTGWMTVVMUPVJF-INIZCTEOSA-N -1 3 332.450 3.358 10 30 EGEEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccsc2C#N)C1 ZINC000593590271 459929912 /nfs/dbraw/zinc/92/99/12/459929912.db2.gz GDAYOHGIYLQMIM-JOCQHMNTSA-N -1 3 332.450 3.153 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2cccc(F)c2)CCC1 ZINC000593612691 459934199 /nfs/dbraw/zinc/93/41/99/459934199.db2.gz MFMQDOFFJKOXCA-UHFFFAOYSA-N -1 3 336.413 3.117 10 30 EGEEHM C=CCCC1(CNC(=O)CCc2c(C)nc(C)[n-]c2=O)CCCC1 ZINC000622137185 460199824 /nfs/dbraw/zinc/19/98/24/460199824.db2.gz NTJPPDWSUOQQPQ-UHFFFAOYSA-N -1 3 331.460 3.374 10 30 EGEEHM C=CCn1c(S[C@@H](CC(C)C)C(=O)OC(C)(C)C)n[n-]c1=O ZINC000600530897 460514613 /nfs/dbraw/zinc/51/46/13/460514613.db2.gz SXKKRFXJBLIPIP-NSHDSACASA-N -1 3 327.450 3.018 10 30 EGEEHM Cc1ncc(CO)c(/C=N\[C@@H](C)c2ccc(C(F)(F)F)nc2)c1[O-] ZINC000871597216 1296447515 /nfs/dbraw/zinc/44/75/15/1296447515.db2.gz MOWPJJPRORVNTG-WAEWXTKISA-N -1 3 339.317 3.182 10 30 EGEEHM Cc1ccc2sc(C[N-]S(=O)(=O)CC3(C#N)CCCC3)nc2c1 ZINC000918108185 1319917105 /nfs/dbraw/zinc/91/71/05/1319917105.db2.gz ZDXQQAVEZDSHMT-UHFFFAOYSA-N -1 3 349.481 3.108 10 30 EGEEHM C=C(C)CN(Cc1ccc(CO)o1)C[C@@H](C)C(=O)c1ccc([O-])cc1 ZINC000930455504 1328859823 /nfs/dbraw/zinc/85/98/23/1328859823.db2.gz PHXGAWYZVYECIM-OAHLLOKOSA-N -1 3 343.423 3.375 10 30 EGEEHM Cc1ncc(CO)c(C=Nc2cccc(C3CCOCC3)c2)c1[O-] ZINC000864346432 1329608834 /nfs/dbraw/zinc/60/88/34/1329608834.db2.gz WMHDFPDCPRCMHP-UHFFFAOYSA-N -1 3 326.396 3.233 10 30 EGEEHM CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC001184349100 1387436017 /nfs/dbraw/zinc/43/60/17/1387436017.db2.gz UZQCCIJQKSKXNR-HNNXBMFYSA-N -1 3 338.423 3.121 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC001211242901 1372510612 /nfs/dbraw/zinc/51/06/12/1372510612.db2.gz ZYALVMYQMLCSNV-MRXNPFEDSA-N -1 3 339.457 3.341 10 30 EGEEHM N#Cc1sccc1C(=O)[N-]c1nc(-c2cccnc2Cl)ns1 ZINC001130206746 1373474104 /nfs/dbraw/zinc/47/41/04/1373474104.db2.gz SSAAXACFGVEZRT-UHFFFAOYSA-N -1 3 347.812 3.439 10 30 EGEEHM C=CC(C)(C)CC(=O)NCCCN(C(=O)c1ccccc1[O-])C(C)C ZINC001284786979 1380209450 /nfs/dbraw/zinc/20/94/50/1380209450.db2.gz WKHSTTPPWWXDOP-UHFFFAOYSA-N -1 3 346.471 3.351 10 30 EGEEHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001159056314 1381547377 /nfs/dbraw/zinc/54/73/77/1381547377.db2.gz QKYMLYJIYNNBOY-UHFFFAOYSA-N -1 3 347.334 3.085 10 30 EGEEHM C=C1CCC(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001297944445 1383302113 /nfs/dbraw/zinc/30/21/13/1383302113.db2.gz BZWMDWGZOUZDNT-QGZVFWFLSA-N -1 3 344.455 3.009 10 30 EGEEHM CCCCN([O-])C(=O)CCc1c(C)nc2c3ccccc3nn2c1C ZINC001306897375 1383916615 /nfs/dbraw/zinc/91/66/15/1383916615.db2.gz KKURHYLSDMTMSI-UHFFFAOYSA-N -1 3 340.427 3.450 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC001306896663 1383916640 /nfs/dbraw/zinc/91/66/40/1383916640.db2.gz HPBRJOHKFKHYPZ-CYBMUJFWSA-N -1 3 345.436 3.034 10 30 EGEEHM C=CCCOC(=O)[C@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001343712366 1390732756 /nfs/dbraw/zinc/73/27/56/1390732756.db2.gz UDICWJUDOXYDLU-VIFPVBQESA-N -1 3 338.310 3.165 10 30 EGEEHM CCn1ccnc1C(C#N)=C([O-])C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001346097227 1390907368 /nfs/dbraw/zinc/90/73/68/1390907368.db2.gz ZQVKOWNKUSRYJX-BBRMVZONSA-N -1 3 343.333 3.189 10 30 EGEEHM C=CCCCC(=O)N[C@H](C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688088403 1396713838 /nfs/dbraw/zinc/71/38/38/1396713838.db2.gz YMDLVRBEGGHWPM-CVEARBPZSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NCC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001701557238 1415131388 /nfs/dbraw/zinc/13/13/88/1415131388.db2.gz ARXXVXYTAHONDV-MRXNPFEDSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C1CC(C)(C(=O)NC[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C)C1 ZINC001735447866 1438490765 /nfs/dbraw/zinc/49/07/65/1438490765.db2.gz RSOHIODLNZVVBV-MRXNPFEDSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)CCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CCCC1 ZINC001739646782 1439378503 /nfs/dbraw/zinc/37/85/03/1439378503.db2.gz OQFLPRPZMJXLOE-KRWDZBQOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001759572023 1441311771 /nfs/dbraw/zinc/31/17/71/1441311771.db2.gz WCTJPQBKRAJRMR-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C(F)F)cc1 ZINC000183854436 144080956 /nfs/dbraw/zinc/08/09/56/144080956.db2.gz NIRZQJCTFPUDDL-UHFFFAOYSA-N -1 3 340.326 3.113 10 30 EGEEHM CSc1nc([O-])c(C(=O)Nc2cccc3ccn(C)c32)cc1C#N ZINC000351746788 144300852 /nfs/dbraw/zinc/30/08/52/144300852.db2.gz TXYCQPBFBMYQNV-UHFFFAOYSA-N -1 3 338.392 3.125 10 30 EGEEHM COc1cc(CNC(=O)c2cc([O-])c3ccccc3c2)ccc1C#N ZINC000358958644 167018906 /nfs/dbraw/zinc/01/89/06/167018906.db2.gz ATLXEIYFXJRHLI-UHFFFAOYSA-N -1 3 332.359 3.356 10 30 EGEEHM COc1cc(CNC(=O)CCCc2ccc([O-])c(F)c2)ccc1C#N ZINC000358977842 167025011 /nfs/dbraw/zinc/02/50/11/167025011.db2.gz WWJBULLPKXXNOY-UHFFFAOYSA-N -1 3 342.370 3.051 10 30 EGEEHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000122449385 307529755 /nfs/dbraw/zinc/52/97/55/307529755.db2.gz OJOFTKCBDKNCJH-GFCCVEGCSA-N -1 3 348.399 3.054 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1Cl ZINC000055555002 453994594 /nfs/dbraw/zinc/99/45/94/453994594.db2.gz KXGUIYDDWATLNP-UHFFFAOYSA-N -1 3 328.727 3.291 10 30 EGEEHM N#CCCN(Cc1cccnc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185518292 455571607 /nfs/dbraw/zinc/57/16/07/455571607.db2.gz LOAIVXIDYWJMMW-UHFFFAOYSA-N -1 3 335.407 3.222 10 30 EGEEHM COCCOc1ncccc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000361517208 457765660 /nfs/dbraw/zinc/76/56/60/457765660.db2.gz AJUIYDUAZUOQGQ-KRWDZBQOSA-N -1 3 347.374 3.145 10 30 EGEEHM N#CC(=C([O-])c1cccc2c1OCCO2)c1nccc2ccccc21 ZINC000361531185 457774435 /nfs/dbraw/zinc/77/44/35/457774435.db2.gz PKNOAUCKLVOVOI-INIZCTEOSA-N -1 3 330.343 3.496 10 30 EGEEHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc1C ZINC000435714856 458188680 /nfs/dbraw/zinc/18/86/80/458188680.db2.gz MOEGBWFXFFKOTK-UHFFFAOYSA-N -1 3 330.409 3.293 10 30 EGEEHM C=CCCO[C@@H](C)C(=O)N=c1cc(-c2ccc(CCC)cc2)[n-][nH]1 ZINC000519190659 458925859 /nfs/dbraw/zinc/92/58/59/458925859.db2.gz CANWTKYWOYDNOP-AWEZNQCLSA-N -1 3 327.428 3.371 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCCC1 ZINC000594869106 459164537 /nfs/dbraw/zinc/16/45/37/459164537.db2.gz CQJZAGGLJRCFPO-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM N#C[C@H](NC(=O)c1cccc([O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000540961627 459411120 /nfs/dbraw/zinc/41/11/20/459411120.db2.gz DOBBSYLPGAGXST-AWEZNQCLSA-N -1 3 336.269 3.285 10 30 EGEEHM O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c(=S)[n-]1 ZINC000584639743 459777618 /nfs/dbraw/zinc/77/76/18/459777618.db2.gz HTNMUFBXPAVNBZ-UHFFFAOYSA-N -1 3 346.174 3.396 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCCCC(F)(F)C1 ZINC000593599352 459931662 /nfs/dbraw/zinc/93/16/62/459931662.db2.gz VHTHAXCFPFKPGP-JTQLQIEISA-N -1 3 334.413 3.114 10 30 EGEEHM C=CCC1(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCOCC1 ZINC000623031609 460390019 /nfs/dbraw/zinc/39/00/19/460390019.db2.gz NOWIKNRSEIKHNQ-UHFFFAOYSA-N -1 3 329.318 3.266 10 30 EGEEHM CCC(NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)(C1CC1)C1CC1 ZINC000600245766 460456658 /nfs/dbraw/zinc/45/66/58/460456658.db2.gz MOLLPUGPWDRZBF-UHFFFAOYSA-N -1 3 341.455 3.293 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2-c2ccccc2)C1 ZINC000601425990 460809419 /nfs/dbraw/zinc/80/94/19/460809419.db2.gz LVPFFRZWNCBRKP-JSGCOSHPSA-N -1 3 347.465 3.171 10 30 EGEEHM S=c1[n-]c(NN=Cc2ccccc2OCc2ccccc2)n[nH]1 ZINC000006339643 526387918 /nfs/dbraw/zinc/38/79/18/526387918.db2.gz XYNSNCGIYIYVBZ-LICLKQGHSA-N -1 3 325.397 3.492 10 30 EGEEHM C=CCOCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000679474676 549715212 /nfs/dbraw/zinc/71/52/12/549715212.db2.gz KWMGVHWDAACYAP-UHFFFAOYSA-N -1 3 331.846 3.036 10 30 EGEEHM C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000879353416 1300498552 /nfs/dbraw/zinc/49/85/52/1300498552.db2.gz HKVZGSWAIQCJQC-HNNXBMFYSA-N -1 3 331.416 3.040 10 30 EGEEHM C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000931061876 1329039318 /nfs/dbraw/zinc/03/93/18/1329039318.db2.gz MQLSWRXUSNNFNL-OAHLLOKOSA-N -1 3 342.443 3.172 10 30 EGEEHM C[C@@H](N[C@H]1c2sccc2OC(C)(C)[C@@H]1O)c1cccc(C#N)c1[O-] ZINC000866372996 1330103333 /nfs/dbraw/zinc/10/33/33/1330103333.db2.gz UBIYZWSTOUPDOI-OVWKYPIYSA-N -1 3 344.436 3.249 10 30 EGEEHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C)c(C#N)c(C)c3)nc21 ZINC001127330126 1373116145 /nfs/dbraw/zinc/11/61/45/1373116145.db2.gz BKXRZCIQMMHSJG-UHFFFAOYSA-N -1 3 348.362 3.090 10 30 EGEEHM N#C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001144437853 1378732547 /nfs/dbraw/zinc/73/25/47/1378732547.db2.gz KMVMFGJUUGGTSQ-LBPRGKRZSA-N -1 3 336.269 3.111 10 30 EGEEHM C=CCC[C@H]1CCCN1C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001158173960 1381148443 /nfs/dbraw/zinc/14/84/43/1381148443.db2.gz VYLZJWWGFDAJJE-LBPRGKRZSA-N -1 3 332.350 3.377 10 30 EGEEHM Cc1ccnc(-c2ccc([N-]c3ncc(C#N)cc3[N+](=O)[O-])cc2)n1 ZINC001162511030 1382777283 /nfs/dbraw/zinc/77/72/83/1382777283.db2.gz VQELLMPSLAKJHB-UHFFFAOYSA-N -1 3 332.323 3.371 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297549324 1383182771 /nfs/dbraw/zinc/18/27/71/1383182771.db2.gz NSCLQTDDUUTEFX-WOJBJXKFSA-N -1 3 344.455 3.009 10 30 EGEEHM COc1cccc2c(C(=O)N([O-])Cc3ccccc3Cl)[nH]nc21 ZINC001306895074 1383915684 /nfs/dbraw/zinc/91/56/84/1383915684.db2.gz VXWGXWHKOXWSNJ-UHFFFAOYSA-N -1 3 331.759 3.257 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SCCC1(C(=O)OC(C)(C)C)CCC1 ZINC001307318946 1383971010 /nfs/dbraw/zinc/97/10/10/1383971010.db2.gz ZVDGQBHQGKPQTG-UHFFFAOYSA-N -1 3 339.461 3.164 10 30 EGEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N(C)C1CCC1 ZINC001338791098 1389766862 /nfs/dbraw/zinc/76/68/62/1389766862.db2.gz ZAGPTDORFRWJBE-UHFFFAOYSA-N -1 3 341.440 3.435 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688228890 1396810553 /nfs/dbraw/zinc/81/05/53/1396810553.db2.gz ILKVNLGDZHFPSQ-HZPDHXFCSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001701074530 1414729605 /nfs/dbraw/zinc/72/96/05/1414729605.db2.gz ZRIAVKHCLUIPKG-HNNXBMFYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001704707792 1416690519 /nfs/dbraw/zinc/69/05/19/1416690519.db2.gz JGIOTXWFWAVLIM-HXUWFJFHSA-N -1 3 344.455 3.009 10 30 EGEEHM CC(C)c1ccc([C@@H](CNC(=O)c2ccccc2[O-])NCC#N)cc1 ZINC001713698185 1418454157 /nfs/dbraw/zinc/45/41/57/1418454157.db2.gz MRWDCUWWKAXZSP-GOSISDBHSA-N -1 3 337.423 3.100 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001720984698 1423004295 /nfs/dbraw/zinc/00/42/95/1423004295.db2.gz QZDMVYWGLODRTM-FOIQADDNSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001746215380 1439880857 /nfs/dbraw/zinc/88/08/57/1439880857.db2.gz KBFVJLMZOXKLTJ-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM Cc1ccccc1-c1cc(=NC(=O)[C@H](C)Oc2ccccc2C#N)[nH][n-]1 ZINC000338093641 141092618 /nfs/dbraw/zinc/09/26/18/141092618.db2.gz WPRRTHJVRGKMTL-AWEZNQCLSA-N -1 3 346.390 3.085 10 30 EGEEHM N#Cc1ccc(C2(C(=O)Nc3n[n-]c(-c4ccccc4F)n3)CC2)cc1 ZINC000189251419 268053903 /nfs/dbraw/zinc/05/39/03/268053903.db2.gz CZVNLIZVLAHJMU-UHFFFAOYSA-N -1 3 347.353 3.153 10 30 EGEEHM N#Cc1cc(-c2nc(-c3ccc([O-])cc3)no2)cnc1C(F)(F)F ZINC000436511877 268171231 /nfs/dbraw/zinc/17/12/31/268171231.db2.gz IFRRYWPXTBDBHF-UHFFFAOYSA-N -1 3 332.241 3.395 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(F)(F)F ZINC000554663075 315341132 /nfs/dbraw/zinc/34/11/32/315341132.db2.gz BHQIJGKUEJMOMY-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(C2CCC2)CCC1 ZINC000565995236 316399421 /nfs/dbraw/zinc/39/94/21/316399421.db2.gz BDVMLPRKPILRDT-UHFFFAOYSA-N -1 3 327.428 3.047 10 30 EGEEHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)s1 ZINC000351172270 324187786 /nfs/dbraw/zinc/18/77/86/324187786.db2.gz UYCMKEXXFKQGGB-UHFFFAOYSA-N -1 3 340.408 3.481 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccccc2OC(F)(F)F)c1[O-] ZINC000017701446 453637145 /nfs/dbraw/zinc/63/71/45/453637145.db2.gz NBHGKYGTCDJTPP-DNTJNYDQSA-N -1 3 340.301 3.106 10 30 EGEEHM CC(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)n1 ZINC000101112068 454469107 /nfs/dbraw/zinc/46/91/07/454469107.db2.gz VLXAZYUCLVXEAI-CYBMUJFWSA-N -1 3 330.775 3.079 10 30 EGEEHM N#Cc1ccsc1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151646395 455012498 /nfs/dbraw/zinc/01/24/98/455012498.db2.gz PQOXDXGZBNDCRZ-UHFFFAOYSA-N -1 3 337.198 3.018 10 30 EGEEHM COC(=O)c1sc([N-]C(=O)c2sccc2C#N)nc1C(C)(C)C ZINC000173985676 455347887 /nfs/dbraw/zinc/34/78/87/455347887.db2.gz UVTASYJDJDRVLE-UHFFFAOYSA-N -1 3 349.437 3.413 10 30 EGEEHM CCc1cc(C#N)c([N-]C(=O)c2cnc(OCC3CC3)cn2)s1 ZINC000284302852 455665510 /nfs/dbraw/zinc/66/55/10/455665510.db2.gz NCROOMXSGPBHMZ-UHFFFAOYSA-N -1 3 328.397 3.013 10 30 EGEEHM COc1cc([O-])c(/C=C\C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000252479484 455807188 /nfs/dbraw/zinc/80/71/88/455807188.db2.gz BGEVJUMWUMFIFP-SREVYHEPSA-N -1 3 344.363 3.323 10 30 EGEEHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000295662985 455856521 /nfs/dbraw/zinc/85/65/21/455856521.db2.gz GKPZQPBQNZWIOU-UWVGGRQHSA-N -1 3 333.240 3.354 10 30 EGEEHM CCCNc1ccc(C#N)cc1NC(=O)c1cc([O-])ccc1OC ZINC000187328810 455896024 /nfs/dbraw/zinc/89/60/24/455896024.db2.gz MGEYRXXDWYYLFH-UHFFFAOYSA-N -1 3 325.368 3.347 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccc([C@@H]3CCOC3)cc2)c1C#N ZINC000297335229 456190279 /nfs/dbraw/zinc/19/02/79/456190279.db2.gz DUEFFJOQEBNGBH-GFCCVEGCSA-N -1 3 328.397 3.471 10 30 EGEEHM C=CCCc1ccccc1NC(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000337524206 456358712 /nfs/dbraw/zinc/35/87/12/456358712.db2.gz AMRMCLBUHREKRM-UHFFFAOYSA-N -1 3 339.321 3.264 10 30 EGEEHM C=CCCc1ccccc1NC(=O)NCc1n[n-]c(C(F)(F)F)n1 ZINC000337524206 456358719 /nfs/dbraw/zinc/35/87/19/456358719.db2.gz AMRMCLBUHREKRM-UHFFFAOYSA-N -1 3 339.321 3.264 10 30 EGEEHM C=CCCc1ccccc1NC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000337524206 456358720 /nfs/dbraw/zinc/35/87/20/456358720.db2.gz AMRMCLBUHREKRM-UHFFFAOYSA-N -1 3 339.321 3.264 10 30 EGEEHM CCc1c(C)sc([N-]C(=O)c2cnc(OCC3CC3)cn2)c1C#N ZINC000340730848 456653824 /nfs/dbraw/zinc/65/38/24/456653824.db2.gz ABXHVHTYRHTIKV-UHFFFAOYSA-N -1 3 342.424 3.322 10 30 EGEEHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(Br)cc1 ZINC000357189377 457366661 /nfs/dbraw/zinc/36/66/61/457366661.db2.gz ODGHQHSLKGAOHW-CQSZACIVSA-N -1 3 331.169 3.149 10 30 EGEEHM CNC(=O)c1cccc(C([O-])=C(C#N)c2nccc3ccccc32)c1 ZINC000361529984 457773786 /nfs/dbraw/zinc/77/37/86/457773786.db2.gz HODRPPSKNSGQGE-KRWDZBQOSA-N -1 3 329.359 3.084 10 30 EGEEHM C=CCCCS(=O)(=O)[N-]c1cc(F)cc(Br)c1F ZINC000427772749 458034011 /nfs/dbraw/zinc/03/40/11/458034011.db2.gz GNPYHBUGEBYLJI-UHFFFAOYSA-N -1 3 340.189 3.435 10 30 EGEEHM CC(C)(C)c1cc([N-]C(=O)c2cn(CC3CC3)nn2)c(C#N)s1 ZINC000556798770 459010467 /nfs/dbraw/zinc/01/04/67/459010467.db2.gz CZMKKOZYGYDWQK-UHFFFAOYSA-N -1 3 329.429 3.171 10 30 EGEEHM C=C1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)CC1 ZINC000520214592 459039430 /nfs/dbraw/zinc/03/94/30/459039430.db2.gz UWHBVDXTMLVHRZ-UHFFFAOYSA-N -1 3 347.212 3.083 10 30 EGEEHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(C2CC2)cc1F ZINC000490001014 459574867 /nfs/dbraw/zinc/57/48/67/459574867.db2.gz BOFLKQRGVJXNRH-UHFFFAOYSA-N -1 3 348.374 3.192 10 30 EGEEHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)sc1Cl ZINC000593276864 459827400 /nfs/dbraw/zinc/82/74/00/459827400.db2.gz YACXJWQZIAVJJB-QMMMGPOBSA-N -1 3 327.258 3.167 10 30 EGEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1 ZINC000593280362 459828360 /nfs/dbraw/zinc/82/83/60/459828360.db2.gz IAVWBAYYJVUUHW-UHFFFAOYSA-N -1 3 334.363 3.107 10 30 EGEEHM COc1ccc(CNCC2(C#N)CCCC2)c(Br)c1[O-] ZINC000593653516 459942059 /nfs/dbraw/zinc/94/20/59/459942059.db2.gz NOYFCFZYTNXUFU-UHFFFAOYSA-N -1 3 339.233 3.337 10 30 EGEEHM N#CCCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000594332692 460188812 /nfs/dbraw/zinc/18/88/12/460188812.db2.gz BQMABJXGWSLLFK-UHFFFAOYSA-N -1 3 344.152 3.019 10 30 EGEEHM COc1cc(C)c([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1C ZINC000619463997 460363057 /nfs/dbraw/zinc/36/30/57/460363057.db2.gz WWBIMTYKPLZHGD-UHFFFAOYSA-N -1 3 330.409 3.179 10 30 EGEEHM C=C(C)C[C@@H](NC(=O)CCc1ccc2ccccc2c1[O-])C(=O)OC ZINC000601783181 460896972 /nfs/dbraw/zinc/89/69/72/460896972.db2.gz AHHIYKWBHAPULQ-QGZVFWFLSA-N -1 3 341.407 3.102 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000447940104 547928249 /nfs/dbraw/zinc/92/82/49/547928249.db2.gz NEIBOSIFFBIOCD-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C ZINC000734233694 575459270 /nfs/dbraw/zinc/45/92/70/575459270.db2.gz RJEGPPOVXQUXKM-UHFFFAOYSA-N -1 3 341.436 3.050 10 30 EGEEHM CCCn1c(=O)[n-]nc1SCc1cc(Cl)ccc1OCC#N ZINC000735230678 575620190 /nfs/dbraw/zinc/62/01/90/575620190.db2.gz GQIHELHRKQGPTC-UHFFFAOYSA-N -1 3 338.820 3.242 10 30 EGEEHM CN(CCc1cccc(C#N)c1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000863440540 1329554345 /nfs/dbraw/zinc/55/43/45/1329554345.db2.gz YLNZIXZIGJUGEY-UHFFFAOYSA-N -1 3 340.398 3.427 10 30 EGEEHM Cc1cc2c(CC/N=C\c3c([O-])c(C)ncc3CO)c[nH]c2cc1F ZINC000864346736 1329608804 /nfs/dbraw/zinc/60/88/04/1329608804.db2.gz DDRDIPHQPPXJRP-NKVSQWTQSA-N -1 3 341.386 3.178 10 30 EGEEHM Cc1ccc(F)c([O-])c1CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000952995535 1334632978 /nfs/dbraw/zinc/63/29/78/1334632978.db2.gz PHYOSNGVBFOTOR-GOSISDBHSA-N -1 3 326.371 3.285 10 30 EGEEHM C=CCC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC001211843893 1372620601 /nfs/dbraw/zinc/62/06/01/1372620601.db2.gz XTFPMTSGRKVAQY-UHFFFAOYSA-N -1 3 342.392 3.149 10 30 EGEEHM C#Cc1ccc(C(=O)Nc2c(C)c(Br)ccc2[O-])cn1 ZINC001141436813 1378325289 /nfs/dbraw/zinc/32/52/89/1378325289.db2.gz HHDOESPVZDLMLP-UHFFFAOYSA-N -1 3 331.169 3.092 10 30 EGEEHM C=CCCOCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001153560192 1380092591 /nfs/dbraw/zinc/09/25/91/1380092591.db2.gz LHRQJYMOLXBTHZ-UHFFFAOYSA-N -1 3 325.408 3.306 10 30 EGEEHM C=CC(C)(C)C(=O)N(C)CC[C@@H](NC(=O)c1ccccc1[O-])C(C)C ZINC001286002637 1380633234 /nfs/dbraw/zinc/63/32/34/1380633234.db2.gz VDTYAQDQMYBSDV-MRXNPFEDSA-N -1 3 346.471 3.207 10 30 EGEEHM C#C[C@](C)(CC)[N-]C(=O)C(F)(F)c1ccccc1Br ZINC001158491413 1381266324 /nfs/dbraw/zinc/26/63/24/1381266324.db2.gz BBZYOJOTFVZXAQ-CYBMUJFWSA-N -1 3 330.172 3.459 10 30 EGEEHM C=CCCC(=O)N1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001290766770 1382108873 /nfs/dbraw/zinc/10/88/73/1382108873.db2.gz YJXKAUIQIODJSR-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@](C)(CC)C(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297549318 1383182750 /nfs/dbraw/zinc/18/27/50/1383182750.db2.gz NSCLQTDDUUTEFX-UXHICEINSA-N -1 3 344.455 3.009 10 30 EGEEHM O=C(Nc1cc(C(=O)N([O-])Cc2ccccc2Cl)ccn1)C1CC1 ZINC001306893844 1383915788 /nfs/dbraw/zinc/91/57/88/1383915788.db2.gz ADWOPLNCCLQNEG-UHFFFAOYSA-N -1 3 345.786 3.115 10 30 EGEEHM O=C(c1cc(OCC(F)F)ccn1)N([O-])Cc1ccccc1Cl ZINC001306894671 1383915944 /nfs/dbraw/zinc/91/59/44/1383915944.db2.gz NVEVNAZRYCRXEF-UHFFFAOYSA-N -1 3 342.729 3.411 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001306896874 1383917159 /nfs/dbraw/zinc/91/71/59/1383917159.db2.gz PTCFRUWBOXPQNR-LBPRGKRZSA-N -1 3 340.370 3.116 10 30 EGEEHM O=C(c1ccnn1CC(F)F)N([O-])Cc1cccc2ccccc21 ZINC001306900205 1383917427 /nfs/dbraw/zinc/91/74/27/1383917427.db2.gz KFVCFLNFWFMJAZ-UHFFFAOYSA-N -1 3 331.322 3.333 10 30 EGEEHM C=CCCCCCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001309481819 1384183595 /nfs/dbraw/zinc/18/35/95/1384183595.db2.gz WGKLGNDLXVBEQU-UHFFFAOYSA-N -1 3 347.278 3.259 10 30 EGEEHM O=c1[n-]c(C2CC2)nc2c1CN(CC#Cc1ccc(Cl)cc1)C2 ZINC001175862413 1385425144 /nfs/dbraw/zinc/42/51/44/1385425144.db2.gz VHQSAVMLUUKUKE-UHFFFAOYSA-N -1 3 325.799 3.080 10 30 EGEEHM C=CCCC(=O)N1CCC[C@H](C)[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001344346013 1390785281 /nfs/dbraw/zinc/78/52/81/1390785281.db2.gz PFNOPNUXSZYEAP-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N(CCCNC(=O)c1ccccc1[O-])C1CC1 ZINC001687803479 1396498214 /nfs/dbraw/zinc/49/82/14/1396498214.db2.gz OVLJHHXMFVIYSI-HXUWFJFHSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001720572570 1422713123 /nfs/dbraw/zinc/71/31/23/1422713123.db2.gz FYYPHBFJKVFWKM-ZBFHGGJFSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CC(C)(C)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447287 1438490550 /nfs/dbraw/zinc/49/05/50/1438490550.db2.gz HPVFEKSFSFWGIT-INIZCTEOSA-N -1 3 346.471 3.255 10 30 EGEEHM C=C[C@@H](CC)CC(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001739902466 1439438013 /nfs/dbraw/zinc/43/80/13/1439438013.db2.gz XURDCHDVDKCCDC-HRCADAONSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CCCCC1 ZINC001746715459 1439927837 /nfs/dbraw/zinc/92/78/37/1439927837.db2.gz QFUIGSYVWUSHSF-QGZVFWFLSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H](CC)C1 ZINC001747610816 1439999518 /nfs/dbraw/zinc/99/95/18/1439999518.db2.gz DVTUNZCZTKQKSD-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM Cc1oc(C#N)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1[O-] ZINC000437161612 270051548 /nfs/dbraw/zinc/05/15/48/270051548.db2.gz SXYSQJKRQOIMQS-UHFFFAOYSA-N -1 3 326.230 3.316 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccc(Cl)s1 ZINC000230337042 267188721 /nfs/dbraw/zinc/18/87/21/267188721.db2.gz CSHVWIAOBZHARB-ZETCQYMHSA-N -1 3 332.859 3.374 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000443040041 268182580 /nfs/dbraw/zinc/18/25/80/268182580.db2.gz UDUHRLNZTIXUOC-INIZCTEOSA-N -1 3 346.839 3.047 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC(C(F)F)CC1 ZINC000416559068 268182680 /nfs/dbraw/zinc/18/26/80/268182680.db2.gz JJOHECOYQASWEP-UHFFFAOYSA-N -1 3 348.802 3.314 10 30 EGEEHM CC1C(c2ccc([O-])cc2)=Nc2ncnn2[C@H]1c1cccc(C#N)c1 ZINC000048303083 275906217 /nfs/dbraw/zinc/90/62/17/275906217.db2.gz LBVTUGHGZLYMRJ-GOSISDBHSA-N -1 3 329.363 3.301 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2F)sc1Cl ZINC000188448866 456064569 /nfs/dbraw/zinc/06/45/69/456064569.db2.gz ABSXFLCVXDBIHH-UHFFFAOYSA-N -1 3 344.820 3.199 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOc3ccccc32)c1 ZINC000177997252 454925911 /nfs/dbraw/zinc/92/59/11/454925911.db2.gz ATFXQESQDAUJCA-CQSZACIVSA-N -1 3 348.811 3.014 10 30 EGEEHM COc1cc(/C=N/[O-])cc(Br)c1OCc1cccnc1 ZINC000253562594 455853992 /nfs/dbraw/zinc/85/39/92/455853992.db2.gz DLJVJSGBSKHWJU-CAOOACKPSA-N -1 3 337.173 3.240 10 30 EGEEHM COC(=O)C[C@@H](/N=C\c1ccccc1[O-])c1ccc(OC)cc1OC ZINC000271039734 456107685 /nfs/dbraw/zinc/10/76/85/456107685.db2.gz HZAUOCTZLCIYPJ-SDLDRHLBSA-N -1 3 343.379 3.133 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)CC1(C#N)CCCC1)c1c(F)cccc1F ZINC000353421835 456689874 /nfs/dbraw/zinc/68/98/74/456689874.db2.gz BEFVXAUWVWJZQZ-NSHDSACASA-N -1 3 328.384 3.029 10 30 EGEEHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000341883433 456985593 /nfs/dbraw/zinc/98/55/93/456985593.db2.gz FOZLJOPVDBMQLF-HWPZZCPQSA-N -1 3 348.811 3.012 10 30 EGEEHM C=CCc1cc(CNC(=O)c2cccc([O-])c2)cc(OC)c1OC ZINC000357326527 457447518 /nfs/dbraw/zinc/44/75/18/457447518.db2.gz YSDHTTZHDORWDI-UHFFFAOYSA-N -1 3 327.380 3.068 10 30 EGEEHM Cc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c([O-])c1 ZINC000530060085 458674559 /nfs/dbraw/zinc/67/45/59/458674559.db2.gz HDAGLHPIFWRRHB-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM C=CC(C)(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2[O-])C1=O ZINC000530197014 458713395 /nfs/dbraw/zinc/71/33/95/458713395.db2.gz QWPROLVGKSDCSO-UHFFFAOYSA-N -1 3 336.819 3.412 10 30 EGEEHM C=CCC1(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)CCOCC1 ZINC000424725485 458720645 /nfs/dbraw/zinc/72/06/45/458720645.db2.gz VCSDODIIRSKHFB-UHFFFAOYSA-N -1 3 347.365 3.088 10 30 EGEEHM N#CCCN(Cc1cccnc1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000471877412 458745751 /nfs/dbraw/zinc/74/57/51/458745751.db2.gz RACPKRIYNRIJCU-UHFFFAOYSA-N -1 3 331.375 3.496 10 30 EGEEHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000538283138 459370517 /nfs/dbraw/zinc/37/05/17/459370517.db2.gz QONVVNAJTOTNHK-LLVKDONJSA-N -1 3 345.848 3.150 10 30 EGEEHM C[C@]1(C#N)CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000598417294 459894781 /nfs/dbraw/zinc/89/47/81/459894781.db2.gz ILQKQGWWSGEANU-HXUWFJFHSA-N -1 3 336.391 3.347 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000593621162 459934597 /nfs/dbraw/zinc/93/45/97/459934597.db2.gz OMXDBDACIGQQJE-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM Cc1csc([N-]C(=O)c2csc(-c3ncccn3)n2)c1C#N ZINC000589034653 460019878 /nfs/dbraw/zinc/01/98/78/460019878.db2.gz IOHBEBOUGUDKDX-UHFFFAOYSA-N -1 3 327.394 3.094 10 30 EGEEHM C=CCCC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000633965686 461361267 /nfs/dbraw/zinc/36/12/67/461361267.db2.gz ZKENTHMZEGLSGL-INIZCTEOSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCOCCC[N-]S(=O)(=O)c1cc2cccc(C)c2s1 ZINC000657148738 461974511 /nfs/dbraw/zinc/97/45/11/461974511.db2.gz FQNDQQYTAKVTDD-UHFFFAOYSA-N -1 3 325.455 3.081 10 30 EGEEHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1nccc2ccccc21 ZINC000682993861 550174716 /nfs/dbraw/zinc/17/47/16/550174716.db2.gz CECFCKKRDMBEPL-AWEZNQCLSA-N -1 3 344.296 3.484 10 30 EGEEHM COc1c([C@H](CC=C(C)C)OC(C)=O)cc([O-])c2c1C(=O)C=CC2=O ZINC000001531758 560181536 /nfs/dbraw/zinc/18/15/36/560181536.db2.gz SCIUCADXFKAPEB-INIZCTEOSA-N -1 3 344.363 3.297 10 30 in-vitro EGEEHM COc1cc(C=NNc2ccc(C)cn2)cc(Br)c1[O-] ZINC000727259950 574656558 /nfs/dbraw/zinc/65/65/58/574656558.db2.gz ODIRRQGJFOTOJV-UHFFFAOYSA-N -1 3 336.189 3.313 10 30 EGEEHM N#Cc1ccc(OC2CN(C(=O)c3cc([O-])c4ccccc4c3)C2)cc1 ZINC000355820122 1297460189 /nfs/dbraw/zinc/46/01/89/1297460189.db2.gz NLXXYPYVPHXCFS-UHFFFAOYSA-N -1 3 344.370 3.320 10 30 EGEEHM CC[C@H](NCc1cn(C)nc1Br)c1cccc(C#N)c1[O-] ZINC000926882820 1327755545 /nfs/dbraw/zinc/75/55/45/1327755545.db2.gz DUNSHSOHEGOVRH-ZDUSSCGKSA-N -1 3 349.232 3.001 10 30 EGEEHM N#Cc1cccc(OCCCCC(=O)NCc2c([O-])cccc2F)c1 ZINC000928706006 1328403905 /nfs/dbraw/zinc/40/39/05/1328403905.db2.gz QAYXCDCEFWJRRE-UHFFFAOYSA-N -1 3 342.370 3.268 10 30 EGEEHM C#CCN1CCC(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CC1 ZINC000862294288 1329474207 /nfs/dbraw/zinc/47/42/07/1329474207.db2.gz FRVUOVWACGRMSZ-UHFFFAOYSA-N -1 3 342.826 3.483 10 30 EGEEHM Cc1cc(C(=O)/C=C\c2cc(C(=O)OC(C)(C)C)nn2C)ccc1[O-] ZINC000865216231 1329676419 /nfs/dbraw/zinc/67/64/19/1329676419.db2.gz AUOKZASDQGVVOR-CLFYSBASSA-N -1 3 342.395 3.286 10 30 EGEEHM CCCCN([O-])C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC001184314691 1387427738 /nfs/dbraw/zinc/42/77/38/1387427738.db2.gz GQNHNYJLDYYCJN-UHFFFAOYSA-N -1 3 332.400 3.271 10 30 EGEEHM C=CCn1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)nn1 ZINC001126370809 1372961592 /nfs/dbraw/zinc/96/15/92/1372961592.db2.gz OKPFGMXBYLGVHM-UHFFFAOYSA-N -1 3 342.346 3.213 10 30 EGEEHM Cc1cc(C)c(C#N)c([N-]C(=O)c2nscc2Br)n1 ZINC001130815518 1373594722 /nfs/dbraw/zinc/59/47/22/1373594722.db2.gz XLDOLBGEYHHTPF-UHFFFAOYSA-N -1 3 337.202 3.041 10 30 EGEEHM CC1(C)CC[C@H](C(=O)N[C@@H]2CCCN([O-])C2=O)[C@H](c2ccccc2)C1 ZINC001141463114 1378329561 /nfs/dbraw/zinc/32/95/61/1378329561.db2.gz FDKFSOYFFOSHQW-YESZJQIVSA-N -1 3 344.455 3.093 10 30 EGEEHM C=CCCCC(=O)N1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001280604599 1378359528 /nfs/dbraw/zinc/35/95/28/1378359528.db2.gz JMSOOBKNAMCQEQ-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@]12C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC001161827132 1382522835 /nfs/dbraw/zinc/52/28/35/1382522835.db2.gz VMVCDBJCUIOJJD-PMUMKWKESA-N -1 3 340.464 3.478 10 30 EGEEHM C=C1CCC(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001297944443 1383302350 /nfs/dbraw/zinc/30/23/50/1383302350.db2.gz BZWMDWGZOUZDNT-KRWDZBQOSA-N -1 3 344.455 3.009 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(C)c(F)c2)C1 ZINC001306896673 1383917138 /nfs/dbraw/zinc/91/71/38/1383917138.db2.gz IEYYTSOCDJRYEC-CQSZACIVSA-N -1 3 336.407 3.285 10 30 EGEEHM C=CCCC(=O)N1CCC[C@@H](C)[C@@H]1CCNC(=O)c1ccccc1[O-] ZINC001344346015 1390785173 /nfs/dbraw/zinc/78/51/73/1390785173.db2.gz PFNOPNUXSZYEAP-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)c1ccccc1[O-] ZINC001344346012 1390785237 /nfs/dbraw/zinc/78/52/37/1390785237.db2.gz PFNOPNUXSZYEAP-NVXWUHKLSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001701793217 1415266438 /nfs/dbraw/zinc/26/64/38/1415266438.db2.gz AMPGIGYPWABPBP-HOCLYGCPSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CC(C)(C)CC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])[C@@H]1C ZINC001718719240 1422061516 /nfs/dbraw/zinc/06/15/16/1422061516.db2.gz ZCHATCOJABWXCY-HOCLYGCPSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CCC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001720854141 1422906926 /nfs/dbraw/zinc/90/69/26/1422906926.db2.gz HQEAGQFPWCJVSB-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001721955406 1423877998 /nfs/dbraw/zinc/87/79/98/1423877998.db2.gz IZWSQLQSKPHVFJ-DOTOQJQBSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N1CCCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001726080012 1426804683 /nfs/dbraw/zinc/80/46/83/1426804683.db2.gz ZLVCBLNGNOBRMJ-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@@H]1CCCNC(=O)c1ccccc1[O-] ZINC001737684755 1438864208 /nfs/dbraw/zinc/86/42/08/1438864208.db2.gz ZEEBTLGPCZKCSC-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001739216638 1439305928 /nfs/dbraw/zinc/30/59/28/1439305928.db2.gz RZLZXJWEKQZHSS-GJZGRUSLSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001759776776 1441323359 /nfs/dbraw/zinc/32/33/59/1441323359.db2.gz VKLOLGZPWDVBOX-HOCLYGCPSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC001759776777 1441323377 /nfs/dbraw/zinc/32/33/77/1441323377.db2.gz VKLOLGZPWDVBOX-ZBFHGGJFSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1ccnc(C(=O)[N-]c2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000355049985 283221273 /nfs/dbraw/zinc/22/12/73/283221273.db2.gz MBUZRVYQKHECRH-UHFFFAOYSA-N -1 3 341.783 3.377 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744240 213116132 /nfs/dbraw/zinc/11/61/32/213116132.db2.gz ITEFKDWXJJHEMZ-UHFFFAOYSA-N -1 3 344.341 3.124 10 30 EGEEHM Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744240 213116136 /nfs/dbraw/zinc/11/61/36/213116136.db2.gz ITEFKDWXJJHEMZ-UHFFFAOYSA-N -1 3 344.341 3.124 10 30 EGEEHM N/C(=N\[O-])c1ccccc1OCc1ccc(Br)s1 ZINC000019507517 212034503 /nfs/dbraw/zinc/03/45/03/212034503.db2.gz QNISQWDLMAPTOQ-UHFFFAOYSA-N -1 3 327.203 3.184 10 30 EGEEHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccccc2)CCCCC1 ZINC000428261598 268324800 /nfs/dbraw/zinc/32/48/00/268324800.db2.gz QEHGJFAPVJACKR-UHFFFAOYSA-N -1 3 341.436 3.091 10 30 EGEEHM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@@H](c1ccccc1)N1CCCC1 ZINC000069739356 279717159 /nfs/dbraw/zinc/71/71/59/279717159.db2.gz GCMSQXQALURAPE-LLVKDONJSA-N -1 3 339.321 3.249 10 30 EGEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132834239 307663545 /nfs/dbraw/zinc/66/35/45/307663545.db2.gz CLTBWWHKLUOUHW-GOSISDBHSA-N -1 3 342.370 3.123 10 30 EGEEHM CC(C)(C)C1CC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C1 ZINC000549904064 315110009 /nfs/dbraw/zinc/11/00/09/315110009.db2.gz SBEHDCNDPGHVIB-UHFFFAOYSA-N -1 3 326.849 3.315 10 30 EGEEHM COc1ccc(CNc2cc(CC#N)ccn2)c(Br)c1[O-] ZINC000546634146 458649710 /nfs/dbraw/zinc/64/97/10/458649710.db2.gz JCDBTMXMOICWDU-UHFFFAOYSA-N -1 3 348.200 3.236 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)Cc2cc(Cl)ccc2F)CCCCC1 ZINC000594870030 459164232 /nfs/dbraw/zinc/16/42/32/459164232.db2.gz YFARDZNNASDBEY-UHFFFAOYSA-N -1 3 344.839 3.373 10 30 EGEEHM C/C=C\C[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000600801971 460609393 /nfs/dbraw/zinc/60/93/93/460609393.db2.gz BRSWCMAHFNLSDF-AWFCHZOYSA-N -1 3 341.455 3.413 10 30 EGEEHM Cc1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1[O-] ZINC000264025574 455185972 /nfs/dbraw/zinc/18/59/72/455185972.db2.gz JXMIXQJEKGZHQS-UHFFFAOYSA-N -1 3 336.391 3.256 10 30 EGEEHM N#CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000264093288 455190446 /nfs/dbraw/zinc/19/04/46/455190446.db2.gz BWPSAAJZUMVFND-UHFFFAOYSA-N -1 3 326.381 3.145 10 30 EGEEHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1cccc(Br)c1 ZINC000182273015 455477799 /nfs/dbraw/zinc/47/77/99/455477799.db2.gz HCTQVZUIXLETBK-CQSZACIVSA-N -1 3 331.169 3.149 10 30 EGEEHM C=CCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000276998969 456646713 /nfs/dbraw/zinc/64/67/13/456646713.db2.gz LCAKMGLAHPBMFW-IBGZPJMESA-N -1 3 341.407 3.484 10 30 EGEEHM CC(C)(C)c1nnsc1C(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000328922707 456792787 /nfs/dbraw/zinc/79/27/87/456792787.db2.gz UOTRUJQHROUGMX-UHFFFAOYSA-N -1 3 348.403 3.472 10 30 EGEEHM N#Cc1cccc(-c2cc(C(=O)[N-]c3cc(C(F)(F)F)[nH]n3)on2)c1 ZINC000448262036 458399374 /nfs/dbraw/zinc/39/93/74/458399374.db2.gz UFLWKPIJHGLTQK-UHFFFAOYSA-N -1 3 347.256 3.207 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CCC(F)(F)CC1 ZINC000594486887 459057803 /nfs/dbraw/zinc/05/78/03/459057803.db2.gz KJWDNZPKHOQBKN-JTQLQIEISA-N -1 3 346.374 3.190 10 30 EGEEHM Cc1nc([C@H]2CCCOC2)sc1C([O-])=C(C#N)c1ccccn1 ZINC000578298901 459176265 /nfs/dbraw/zinc/17/62/65/459176265.db2.gz UUGYTYNOZRYTEA-QWHCGFSZSA-N -1 3 327.409 3.231 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1c1ccccc1 ZINC000569991382 459544057 /nfs/dbraw/zinc/54/40/57/459544057.db2.gz WMNCEZYZFCWDLJ-KBPBESRZSA-N -1 3 346.839 3.294 10 30 EGEEHM COc1ccc(CN2CCC(C)(C(=O)[O-])CC2)cc1OCCCC#N ZINC000592424138 459598978 /nfs/dbraw/zinc/59/89/78/459598978.db2.gz UGHVJLGFGUAXRG-UHFFFAOYSA-N -1 3 346.427 3.064 10 30 EGEEHM CC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C#N)cc1Cl ZINC000563226829 459745132 /nfs/dbraw/zinc/74/51/32/459745132.db2.gz YCPYWIYZFJSNMP-UHFFFAOYSA-N -1 3 328.821 3.224 10 30 EGEEHM Cc1cc(C)c(C#N)c([N-]C(=O)c2ccc(OCC(F)(F)F)o2)n1 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10 30 EGEEHM COc1cc(C(=O)/C=C\c2ccc(OC)c([N+](=O)[O-])c2)ccc1[O-] ZINC000255713173 1296563016 /nfs/dbraw/zinc/56/30/16/1296563016.db2.gz FYQNPRHHWZPMAW-UTCJRWHESA-N -1 3 329.308 3.214 10 30 EGEEHM C=CCCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccccc1 ZINC000882723164 1302079062 /nfs/dbraw/zinc/07/90/62/1302079062.db2.gz QCCICEJSIXMNNY-CYBMUJFWSA-N -1 3 338.454 3.225 10 30 EGEEHM C=C(Cl)C[C@H](NCc1ccc(Br)cc1OC)C(=O)[O-] ZINC000864518283 1329621642 /nfs/dbraw/zinc/62/16/42/1329621642.db2.gz FUNOMILKLBUGCX-NSHDSACASA-N -1 3 348.624 3.143 10 30 EGEEHM Cc1ncc(CO)c(/C=N/C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[O-] ZINC000864348274 1329609123 /nfs/dbraw/zinc/60/91/23/1329609123.db2.gz IFBGKLBEBSSMPA-DZDJVXKBSA-N -1 3 328.334 3.152 10 30 EGEEHM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc(O)c3[O-])cc2)nc1 ZINC001136450427 1377394602 /nfs/dbraw/zinc/39/46/02/1377394602.db2.gz UQFXCXGQHYZFSB-UHFFFAOYSA-N -1 3 347.330 3.409 10 30 EGEEHM C#C[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H]1CCCO1 ZINC001138445660 1377725262 /nfs/dbraw/zinc/72/52/62/1377725262.db2.gz CWTSUWCCWFXCCV-PZJWPPBQSA-N -1 3 349.430 3.088 10 30 EGEEHM CSc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC001306898559 1383916591 /nfs/dbraw/zinc/91/65/91/1383916591.db2.gz ILQPHNKCVVWDFF-UHFFFAOYSA-N -1 3 336.344 3.487 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 ZINC001306896976 1383916775 /nfs/dbraw/zinc/91/67/75/1383916775.db2.gz UCJYYPGHFXZWDE-INIZCTEOSA-N -1 3 342.443 3.306 10 30 EGEEHM CCCCN([O-])C(=O)[C@H]1CCOc2ccc(Br)cc21 ZINC001306897584 1383916829 /nfs/dbraw/zinc/91/68/29/1383916829.db2.gz SWGGWDINXIUUOB-NSHDSACASA-N -1 3 328.206 3.333 10 30 EGEEHM C#C[C@H](CCC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309460502 1384182767 /nfs/dbraw/zinc/18/27/67/1384182767.db2.gz STNCIUIHAJTIAR-SECBINFHSA-N -1 3 328.846 3.030 10 30 EGEEHM C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001333524544 1390328349 /nfs/dbraw/zinc/32/83/49/1390328349.db2.gz YHXLCGIZFTUDKZ-CVEARBPZSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001689123832 1396929721 /nfs/dbraw/zinc/92/97/21/1396929721.db2.gz FQKGYFPIECXURB-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)CCC(=O)N(C)C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001702730702 1415693655 /nfs/dbraw/zinc/69/36/55/1415693655.db2.gz ARVHKEBJPUQROV-INIZCTEOSA-N -1 3 344.455 3.202 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001704736986 1416713181 /nfs/dbraw/zinc/71/31/81/1416713181.db2.gz DWMGXWKKHCITDY-AVYPCKFXSA-N -1 3 344.455 3.152 10 30 EGEEHM C=CCCCC(=O)NC[C@@H]1CCCCCN1C(=O)c1ccccc1[O-] ZINC001734863509 1438314663 /nfs/dbraw/zinc/31/46/63/1438314663.db2.gz LJVMKLXSBZOXFL-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM N#CC(=C([O-])C=Cc1c(F)cccc1F)c1nnc2n1CCCCC2 ZINC000054726933 214252182 /nfs/dbraw/zinc/25/21/82/214252182.db2.gz YVEWBLBZXLUAOH-MMQHEFTJSA-N -1 3 342.349 3.172 10 30 EGEEHM N#Cc1cscc1C(=O)[N-]c1nnc(/C=C\c2ccco2)s1 ZINC000344484229 141163365 /nfs/dbraw/zinc/16/33/65/141163365.db2.gz CPDNZWVIAKWCGU-ARJAWSKDSA-N -1 3 328.378 3.487 10 30 EGEEHM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)cc2[nH]ncc21 ZINC000346493843 164386856 /nfs/dbraw/zinc/38/68/56/164386856.db2.gz WBECQANKHLFHAP-UHFFFAOYSA-N -1 3 346.799 3.197 10 30 EGEEHM CC(C)C[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1cccs1 ZINC000352322206 165340907 /nfs/dbraw/zinc/34/09/07/165340907.db2.gz JDCJWIXCYBQYHB-AWEZNQCLSA-N -1 3 335.454 3.080 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)c1 ZINC000416569901 269963771 /nfs/dbraw/zinc/96/37/71/269963771.db2.gz YYNTWBWIYFDUQD-UHFFFAOYSA-N -1 3 348.802 3.314 10 30 EGEEHM CCCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1OC(F)F ZINC000439538291 270051745 /nfs/dbraw/zinc/05/17/45/270051745.db2.gz ZFIKTBBFIMTJQO-UHFFFAOYSA-N -1 3 340.355 3.159 10 30 EGEEHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)c1 ZINC000356513373 303191711 /nfs/dbraw/zinc/19/17/11/303191711.db2.gz YIAKPDPIVOKULY-SNVBAGLBSA-N -1 3 334.775 3.068 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000112363655 307470841 /nfs/dbraw/zinc/47/08/41/307470841.db2.gz UWUDHCQDBJDZLR-SECBINFHSA-N -1 3 334.363 3.290 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(F)(F)F ZINC000554663117 315341137 /nfs/dbraw/zinc/34/11/37/315341137.db2.gz CZMHHDYRSNQCPD-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM C/C=C/C[C@H]1CCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000600801970 460610159 /nfs/dbraw/zinc/61/01/59/460610159.db2.gz BRSWCMAHFNLSDF-APHBUQMISA-N -1 3 341.455 3.413 10 30 EGEEHM N#CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCCC1 ZINC000040215466 453949147 /nfs/dbraw/zinc/94/91/47/453949147.db2.gz YJQYYEUKHMAYIR-UHFFFAOYSA-N -1 3 333.240 3.498 10 30 EGEEHM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H](c1ccccc1)N1CCCC1 ZINC000069739355 454139015 /nfs/dbraw/zinc/13/90/15/454139015.db2.gz GCMSQXQALURAPE-NSHDSACASA-N -1 3 339.321 3.249 10 30 EGEEHM C=CCOc1ccccc1CNc1ccc(-c2nc(C)cc(=O)[n-]2)cn1 ZINC000077966232 454172398 /nfs/dbraw/zinc/17/23/98/454172398.db2.gz KMHHBWABVYPQJO-UHFFFAOYSA-N -1 3 348.406 3.317 10 30 EGEEHM COc1cc(CN=Nc2nccs2)cc(Br)c1[O-] ZINC000252610307 455823944 /nfs/dbraw/zinc/82/39/44/455823944.db2.gz HZZZMYNJCUUSPE-UHFFFAOYSA-N -1 3 328.191 3.066 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000280155900 455904829 /nfs/dbraw/zinc/90/48/29/455904829.db2.gz BIFJUQWRVLPURG-UHFFFAOYSA-N -1 3 348.406 3.353 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccccc2O[C@H]2CCOC2)c1C#N ZINC000297547395 456248291 /nfs/dbraw/zinc/24/82/91/456248291.db2.gz ZEAWBNBNDXFIDM-NSHDSACASA-N -1 3 344.396 3.135 10 30 EGEEHM C=CCCCCCN(C)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000352605938 457495318 /nfs/dbraw/zinc/49/53/18/457495318.db2.gz BKJORXWZLSFQCC-UHFFFAOYSA-N -1 3 328.412 3.355 10 30 EGEEHM N#Cc1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cn1 ZINC000347547146 457500417 /nfs/dbraw/zinc/50/04/17/457500417.db2.gz FXXBXTJVDUPXAW-UHFFFAOYSA-N -1 3 347.359 3.470 10 30 EGEEHM Cn1c2cc(C([O-])=C(C#N)c3nccc4ccccc43)ccc2[nH]c1=O ZINC000361541335 457782536 /nfs/dbraw/zinc/78/25/36/457782536.db2.gz OHHZYANFDGAUNM-OAHLLOKOSA-N -1 3 342.358 3.317 10 30 EGEEHM C=CCOc1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000426630430 457865788 /nfs/dbraw/zinc/86/57/88/457865788.db2.gz URUGEWRXPUEXDG-GOSISDBHSA-N -1 3 345.370 3.012 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000594869907 459164221 /nfs/dbraw/zinc/16/42/21/459164221.db2.gz UXNHQSPZCKAHPR-UHFFFAOYSA-N -1 3 330.812 3.231 10 30 EGEEHM CCc1ccc([C@H](C#N)NC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000489966536 459573797 /nfs/dbraw/zinc/57/37/97/459573797.db2.gz PLAFRCRAJQCJKD-SFHVURJKSA-N -1 3 331.375 3.085 10 30 EGEEHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000543374322 459650750 /nfs/dbraw/zinc/65/07/50/459650750.db2.gz LQNXBYGZSVTPAU-UHFFFAOYSA-N -1 3 329.772 3.311 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)c1cccc(F)c1 ZINC000593547476 459921205 /nfs/dbraw/zinc/92/12/05/459921205.db2.gz QOQCAZPUJPPMAN-UHFFFAOYSA-N -1 3 338.429 3.015 10 30 EGEEHM C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)c1cc([O-])cc(C#N)c1 ZINC000589188879 460049910 /nfs/dbraw/zinc/04/99/10/460049910.db2.gz OEUKZPCJQDEYKZ-INIZCTEOSA-N -1 3 349.434 3.000 10 30 EGEEHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000644785409 462076100 /nfs/dbraw/zinc/07/61/00/462076100.db2.gz JXQCEHCWSGZENB-ONGXEEELSA-N -1 3 337.832 3.113 10 30 EGEEHM C=CCCC[C@H]([N-]S(=O)(=O)c1c[nH]c(=O)s1)c1ccccc1 ZINC000882723165 1302078902 /nfs/dbraw/zinc/07/89/02/1302078902.db2.gz QCCICEJSIXMNNY-ZDUSSCGKSA-N -1 3 338.454 3.225 10 30 EGEEHM C=CC[S@](=O)(=NC([O-])=C(C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000891383253 1305036804 /nfs/dbraw/zinc/03/68/04/1305036804.db2.gz XYONAZADKAJECW-ZAMGYDSWSA-N -1 3 337.441 3.204 10 30 EGEEHM Cc1ncc(CO)c(/C=N/[C@H]2CC[C@H](OCCC(C)C)CC2)c1[O-] ZINC000864345640 1329608874 /nfs/dbraw/zinc/60/88/74/1329608874.db2.gz BHWDKKDUPCDQDP-UKOBORPSSA-N -1 3 334.460 3.381 10 30 EGEEHM CCCCCCN([O-])C(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001184306008 1387425151 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N#Cc1cc(N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)c([N+](=O)[O-])s1 ZINC001307229534 1383961070 /nfs/dbraw/zinc/96/10/70/1383961070.db2.gz DDWFNECOJOVYCV-MGCOHNPYSA-N -1 3 345.384 3.162 10 30 EGEEHM C=CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1)c1ccccc1 ZINC001179081917 1386395410 /nfs/dbraw/zinc/39/54/10/1386395410.db2.gz HFNJENSAQBKVJT-AWEZNQCLSA-N -1 3 327.384 3.273 10 30 EGEEHM C=CC[C@H](C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1)c1ccccc1 ZINC001179081917 1386395414 /nfs/dbraw/zinc/39/54/14/1386395414.db2.gz HFNJENSAQBKVJT-AWEZNQCLSA-N -1 3 327.384 3.273 10 30 EGEEHM C=CC[S@](=O)(=NC(=O)c1cc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC001180150691 1386715595 /nfs/dbraw/zinc/71/55/95/1386715595.db2.gz MUMDYRMHPSBIAM-HSZRJFAPSA-N -1 3 343.330 3.282 10 30 EGEEHM C=CC[S@](=O)(=NC(=O)c1cc(C(F)(F)F)[n-]n1)c1ccccc1 ZINC001180150691 1386715596 /nfs/dbraw/zinc/71/55/96/1386715596.db2.gz MUMDYRMHPSBIAM-HSZRJFAPSA-N -1 3 343.330 3.282 10 30 EGEEHM O=C(c1ncoc1[C@H]1CCCO1)N([O-])CCCCc1ccccc1 ZINC001334073590 1390472003 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EGEEHM C=CCC(C)(C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001701882079 1415328773 /nfs/dbraw/zinc/32/87/73/1415328773.db2.gz FUBGFKBLPPLJKP-INIZCTEOSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCCC(=O)N(C)C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001718117645 1421836864 /nfs/dbraw/zinc/83/68/64/1421836864.db2.gz LOCVXWGVRUJBAH-UHFFFAOYSA-N -1 3 344.455 3.248 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001720984699 1423004289 /nfs/dbraw/zinc/00/42/89/1423004289.db2.gz QZDMVYWGLODRTM-MGPUTAFESA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCCCC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2[O-])C1 ZINC001737510650 1438812926 /nfs/dbraw/zinc/81/29/26/1438812926.db2.gz AETNYZOXYAGITP-JKSUJKDBSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)c1ccccc1[O-] ZINC001759489060 1441296483 /nfs/dbraw/zinc/29/64/83/1441296483.db2.gz WMFIJJLBMMMZJP-RDJZCZTQSA-N -1 3 344.455 3.105 10 30 EGEEHM N/C(=N\[O-])c1ccccc1COc1ccc(Br)cc1F ZINC000034957331 213002630 /nfs/dbraw/zinc/00/26/30/213002630.db2.gz BWIZOTNOVBFYOC-UHFFFAOYSA-N -1 3 339.164 3.262 10 30 EGEEHM N#Cc1ccc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(F)c1 ZINC000359041262 167046709 /nfs/dbraw/zinc/04/67/09/167046709.db2.gz XWYBWXSBMWUNNO-UHFFFAOYSA-N -1 3 333.369 3.108 10 30 EGEEHM CC(=O)Nc1cccc(C([O-])=C(C#N)c2nc3ccccc3n2C)c1 ZINC000122242878 222044300 /nfs/dbraw/zinc/04/43/00/222044300.db2.gz GKWNARDQQXXJTE-HNNXBMFYSA-N -1 3 332.363 3.022 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C/C=C\c1ccccc1 ZINC000479955186 268159031 /nfs/dbraw/zinc/15/90/31/268159031.db2.gz FIBLAOGFMBVBCP-YVMONPNESA-N -1 3 332.812 3.203 10 30 EGEEHM CNC(=O)c1ccc(C=CC([O-])=C(C#N)c2nc3ccccc3o2)cc1 ZINC000054736175 453944827 /nfs/dbraw/zinc/94/48/27/453944827.db2.gz ZWFWVOIKTJLJAV-KUCQQTCKSA-N -1 3 345.358 3.077 10 30 EGEEHM C#CCn1cc(CN(C)Cc2c3c(ccc2[O-])oc2c3CCCC2)cn1 ZINC000095966854 454242904 /nfs/dbraw/zinc/24/29/04/454242904.db2.gz NVPVBZMHRYLUJU-UHFFFAOYSA-N -1 3 349.434 3.479 10 30 EGEEHM CCC(C)(C)[C@@H]1CCCN1C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000133581030 454442466 /nfs/dbraw/zinc/44/24/66/454442466.db2.gz MKFKKKAOLGSNSI-KRWDZBQOSA-N -1 3 343.471 3.223 10 30 EGEEHM N#CC(=C([O-])c1coc(Br)c1)c1nc2ccccc2[nH]1 ZINC000073972077 454509800 /nfs/dbraw/zinc/50/98/00/454509800.db2.gz ZRMJONPYGTUWAE-VIFPVBQESA-N -1 3 330.141 3.408 10 30 EGEEHM CSc1nccn1-c1cccc(C([O-])=C(C#N)c2ccccn2)c1 ZINC000049458788 454549672 /nfs/dbraw/zinc/54/96/72/454549672.db2.gz QMTSDNVDLVXHHC-HNNXBMFYSA-N -1 3 334.404 3.479 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(-c2ncon2)cc1 ZINC000107407937 454755391 /nfs/dbraw/zinc/75/53/91/454755391.db2.gz OXRPYXZZDHVMKE-AWEZNQCLSA-N -1 3 343.346 3.113 10 30 EGEEHM N#Cc1ccsc1C(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000178144891 454938104 /nfs/dbraw/zinc/93/81/04/454938104.db2.gz BMWVJIPTKHNRCH-UHFFFAOYSA-N -1 3 343.799 3.165 10 30 EGEEHM C=CCCCCCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000156079544 455079360 /nfs/dbraw/zinc/07/93/60/455079360.db2.gz ANSRNXJQQMKKPE-QGZVFWFLSA-N -1 3 344.455 3.202 10 30 EGEEHM C=CCCc1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000337529003 456359235 /nfs/dbraw/zinc/35/92/35/456359235.db2.gz ZGMHZVKHLYMQKN-UHFFFAOYSA-N -1 3 344.436 3.429 10 30 EGEEHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1 ZINC000426826811 457912172 /nfs/dbraw/zinc/91/21/72/457912172.db2.gz GGFQRPLGQIEXSX-GOSISDBHSA-N -1 3 345.370 3.315 10 30 EGEEHM Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c([O-])c1 ZINC000436756320 458376009 /nfs/dbraw/zinc/37/60/09/458376009.db2.gz BYUIXMSSKYDJOJ-AWEZNQCLSA-N -1 3 345.196 3.458 10 30 EGEEHM C[C@@H](CC#N)Sc1ccccc1[N-]C(=O)c1cn(CC2CC2)nn1 ZINC000449852753 458433365 /nfs/dbraw/zinc/43/33/65/458433365.db2.gz UMLUYDIMORRLMY-LBPRGKRZSA-N -1 3 341.440 3.335 10 30 EGEEHM N#CCCSc1ccccc1[N-]C(=O)c1cn(C2CCC2)nn1 ZINC000592590787 459638203 /nfs/dbraw/zinc/63/82/03/459638203.db2.gz AQWROPYWSYQUCD-UHFFFAOYSA-N -1 3 327.413 3.261 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC12CCC(CC1)CC2 ZINC000562940303 459674783 /nfs/dbraw/zinc/67/47/83/459674783.db2.gz QULZIPAHVQXGAJ-UHFFFAOYSA-N -1 3 327.428 3.047 10 30 EGEEHM Cc1c(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]c1C(C)C ZINC000592949488 459723362 /nfs/dbraw/zinc/72/33/62/459723362.db2.gz DOQDBRNNZIYWLO-UHFFFAOYSA-N -1 3 341.415 3.002 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCc2c(F)cccc21 ZINC000593603783 459931645 /nfs/dbraw/zinc/93/16/45/459931645.db2.gz LIECBBLSVONCOU-CYBMUJFWSA-N -1 3 336.413 3.115 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000597979545 460134816 /nfs/dbraw/zinc/13/48/16/460134816.db2.gz NLUAQBWNSZUBAG-VIKVFOODSA-N -1 3 343.471 3.397 10 30 EGEEHM N#CCc1ccccc1S(=O)(=O)[N-][C@H](C(F)F)C1CCCCC1 ZINC000601472533 460818648 /nfs/dbraw/zinc/81/86/48/460818648.db2.gz WGQKFFKPVFXDGB-HNNXBMFYSA-N -1 3 342.411 3.245 10 30 EGEEHM C=CCc1cc(C(=O)N=c2[nH][n-]c(C(C)C)c2C)cc(OC)c1OC ZINC000649233234 462449898 /nfs/dbraw/zinc/44/98/98/462449898.db2.gz FVGLMJCXPAYCFZ-UHFFFAOYSA-N -1 3 343.427 3.261 10 30 EGEEHM Cc1ccc([O-])c(/C=C2/SC(=Nc3ccccc3C)NC2=O)n1 ZINC000728909648 574785870 /nfs/dbraw/zinc/78/58/70/574785870.db2.gz HAZHBJGWCAOTTP-OQLLNIDSSA-N -1 3 325.393 3.296 10 30 EGEEHM Cc1ccc(F)c2c1C(=NNCc1cccc3cccnc31)C(=O)[N-]2 ZINC000732712456 575283998 /nfs/dbraw/zinc/28/39/98/575283998.db2.gz ICLHCCIMSJXNTI-UHFFFAOYSA-N -1 3 334.354 3.128 10 30 EGEEHM Cc1ncc(CO)c(/C=N\CC(F)(F)c2ccc(F)cc2F)c1[O-] ZINC000871596850 1296447543 /nfs/dbraw/zinc/44/75/43/1296447543.db2.gz FQICWJZHDFDTDC-MPUCSWFWSA-N -1 3 342.292 3.077 10 30 EGEEHM C#CC[C@@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000863806226 1329582852 /nfs/dbraw/zinc/58/28/52/1329582852.db2.gz FBWSCDJOSDKBGX-VIFPVBQESA-N -1 3 336.165 3.240 10 30 EGEEHM CC[C@@H](N[C@H](C)c1cccc(C#N)c1[O-])c1nnc2n1CCCCC2 ZINC000866254517 1330086042 /nfs/dbraw/zinc/08/60/42/1330086042.db2.gz QEHMEDXDCAUGKZ-CZUORRHYSA-N -1 3 339.443 3.384 10 30 EGEEHM N#Cc1cc(F)cc(C2(C(=O)N([O-])Cc3ccc(F)cc3)CC2)c1 ZINC001184349167 1387435962 /nfs/dbraw/zinc/43/59/62/1387435962.db2.gz XNJZKIKKBYKMIC-UHFFFAOYSA-N -1 3 328.318 3.286 10 30 EGEEHM C[C@H](NCc1cc(OCC(F)F)ccn1)c1cccc(C#N)c1[O-] ZINC001118930378 1371252073 /nfs/dbraw/zinc/25/20/73/1371252073.db2.gz JOHFPTWPDZITKJ-NSHDSACASA-N -1 3 333.338 3.154 10 30 EGEEHM N#Cc1cc([N-]C(=O)c2cc(F)c([N+](=O)[O-])cc2F)c(F)cc1F ZINC001132470097 1375412334 /nfs/dbraw/zinc/41/23/34/1375412334.db2.gz DOPLVMBHEXSMKO-UHFFFAOYSA-N -1 3 339.204 3.275 10 30 EGEEHM C=CCC1(C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CCCCC1 ZINC001137598305 1377569946 /nfs/dbraw/zinc/56/99/46/1377569946.db2.gz IBENYGNEIBKLNS-AWEZNQCLSA-N -1 3 340.464 3.474 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001281318773 1378416211 /nfs/dbraw/zinc/41/62/11/1378416211.db2.gz RFQBWKPRYQQZGG-JXFKEZNVSA-N -1 3 346.471 3.255 10 30 EGEEHM O=C(c1ccc(OCC(F)F)nc1)N([O-])Cc1ccccc1Cl ZINC001306894367 1383915992 /nfs/dbraw/zinc/91/59/92/1383915992.db2.gz KKZUSKRTRPSVQV-UHFFFAOYSA-N -1 3 342.729 3.411 10 30 EGEEHM C=C1CCC(C(=O)N[C@@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001339782527 1390143559 /nfs/dbraw/zinc/14/35/59/1390143559.db2.gz OLGKDAHOJNEZEA-GJZGRUSLSA-N -1 3 344.455 3.152 10 30 EGEEHM C#C[C@H]1CCCN(c2nnc(-c3cccc(CC(=C)C)c3[O-])n2C)C1 ZINC001341827573 1390534512 /nfs/dbraw/zinc/53/45/12/1390534512.db2.gz NXVKWXINKITTDY-HNNXBMFYSA-N -1 3 336.439 3.156 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001689114473 1396922950 /nfs/dbraw/zinc/92/29/50/1396922950.db2.gz VTLVFLXVAHFGAK-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@H](CC)CC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001718801906 1422112508 /nfs/dbraw/zinc/11/25/08/1422112508.db2.gz OBEQNCHEMCXHFP-PBHICJAKSA-N -1 3 346.471 3.255 10 30 EGEEHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000009155157 258053705 /nfs/dbraw/zinc/05/37/05/258053705.db2.gz PTGLAVMBRKPGTG-ZUZCIYMTSA-N -1 3 349.485 3.068 10 30 EGEEHM N#Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(Cl)c1 ZINC000356272932 141332910 /nfs/dbraw/zinc/33/29/10/141332910.db2.gz QEZKHSBNFLOBLQ-UHFFFAOYSA-N -1 3 328.681 3.338 10 30 EGEEHM N#Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1Cl ZINC000067124774 453904194 /nfs/dbraw/zinc/90/41/94/453904194.db2.gz MRSFOQLYVUDGRH-UHFFFAOYSA-N -1 3 328.727 3.291 10 30 EGEEHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000044978200 454130584 /nfs/dbraw/zinc/13/05/84/454130584.db2.gz QVGDUIONQGKFKZ-ZDUSSCGKSA-N -1 3 341.758 3.112 10 30 EGEEHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000044978200 454130588 /nfs/dbraw/zinc/13/05/88/454130588.db2.gz QVGDUIONQGKFKZ-ZDUSSCGKSA-N -1 3 341.758 3.112 10 30 EGEEHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000044978200 454130591 /nfs/dbraw/zinc/13/05/91/454130591.db2.gz QVGDUIONQGKFKZ-ZDUSSCGKSA-N -1 3 341.758 3.112 10 30 EGEEHM Cc1ccc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cc([O-])ccc2C)s1 ZINC000063850942 454455044 /nfs/dbraw/zinc/45/50/44/454455044.db2.gz XJTFLQPWEDURFO-UHFFFAOYSA-O -1 3 347.485 3.049 10 30 EGEEHM C=CCCCCCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000156079425 455079813 /nfs/dbraw/zinc/07/98/13/455079813.db2.gz ANSRNXJQQMKKPE-KRWDZBQOSA-N -1 3 344.455 3.202 10 30 EGEEHM CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C[C@H](C)C#N ZINC000171632983 455080806 /nfs/dbraw/zinc/08/08/06/455080806.db2.gz ORNWOSFDYREJQC-LLVKDONJSA-N -1 3 342.424 3.226 10 30 EGEEHM N#CC(=C([O-])c1cccc(-c2noc(C3CC3)n2)c1)c1ccccn1 ZINC000173951099 455344832 /nfs/dbraw/zinc/34/48/32/455344832.db2.gz MAWMASVVUNJSQY-HNNXBMFYSA-N -1 3 330.347 3.499 10 30 EGEEHM CCOc1cc(CN(CC)CCC#N)cc(Br)c1[O-] ZINC000297931091 456326692 /nfs/dbraw/zinc/32/66/92/456326692.db2.gz ULLOYPNQBTVQMW-UHFFFAOYSA-N -1 3 327.222 3.289 10 30 EGEEHM N#CC1CCC(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000282680400 456590840 /nfs/dbraw/zinc/59/08/40/456590840.db2.gz WQBHITRNFHWORZ-UHFFFAOYSA-N -1 3 330.812 3.087 10 30 EGEEHM C=CCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1OC ZINC000276998972 456646894 /nfs/dbraw/zinc/64/68/94/456646894.db2.gz LCAKMGLAHPBMFW-LJQANCHMSA-N -1 3 341.407 3.484 10 30 EGEEHM C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348782962 456855248 /nfs/dbraw/zinc/85/52/48/456855248.db2.gz VPJNGQFTOZBLHM-LBPRGKRZSA-N -1 3 342.424 3.361 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000347091553 457226451 /nfs/dbraw/zinc/22/64/51/457226451.db2.gz PBCXRCXOMPDZSF-YUNKPMOVSA-N -1 3 349.434 3.258 10 30 EGEEHM N#Cc1ccccc1-c1ccccc1C(=O)NCc1ncccc1[O-] ZINC000352502802 457422160 /nfs/dbraw/zinc/42/21/60/457422160.db2.gz YRIRCTCUSAWWJF-UHFFFAOYSA-N -1 3 329.359 3.256 10 30 EGEEHM N#CC(=C([O-])c1ccnn1CC(F)F)c1nccc2ccccc21 ZINC000434648745 458028855 /nfs/dbraw/zinc/02/88/55/458028855.db2.gz OADQIWFVZIFZKT-CYBMUJFWSA-N -1 3 326.306 3.186 10 30 EGEEHM CCOc1nc2cc(C(=O)NCC3CCC(C#N)CC3)ccc2[n-]1 ZINC000451446270 458477297 /nfs/dbraw/zinc/47/72/97/458477297.db2.gz OUAVNTJKGXUVQA-UHFFFAOYSA-N -1 3 326.400 3.021 10 30 EGEEHM CCOc1nc2ccc(C(=O)NCC3CCC(C#N)CC3)cc2[n-]1 ZINC000451446270 458477299 /nfs/dbraw/zinc/47/72/99/458477299.db2.gz OUAVNTJKGXUVQA-UHFFFAOYSA-N -1 3 326.400 3.021 10 30 EGEEHM N#CCCCOc1cccc(CN[C@H](CC(=O)[O-])c2ccncc2)c1 ZINC000577294876 459013561 /nfs/dbraw/zinc/01/35/61/459013561.db2.gz VKGJHOKTOCCVPS-GOSISDBHSA-N -1 3 339.395 3.070 10 30 EGEEHM Cc1cc(C(C#N)=C([O-])c2cccc([C@H]3CCCOC3)c2)nc(C)n1 ZINC000535755090 459357077 /nfs/dbraw/zinc/35/70/77/459357077.db2.gz FDTXWEBMXDHUCD-ZWKOTPCHSA-N -1 3 335.407 3.478 10 30 EGEEHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527292570 459623874 /nfs/dbraw/zinc/62/38/74/459623874.db2.gz XTUSACOELODYRI-UHFFFAOYSA-N -1 3 342.848 3.099 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCc2ccc(F)cc21 ZINC000593588791 459928909 /nfs/dbraw/zinc/92/89/09/459928909.db2.gz MVKNFWASJCHWPN-CYBMUJFWSA-N -1 3 336.413 3.115 10 30 EGEEHM C=CCCOCC(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1 ZINC000589166150 460044253 /nfs/dbraw/zinc/04/42/53/460044253.db2.gz XJJHEBQFDHVXFD-UHFFFAOYSA-N -1 3 340.210 3.337 10 30 EGEEHM CCOc1ccc(/C=N/[C@H]2CCCN(c3ccccc3)C2=O)c([O-])c1 ZINC000733904614 575408247 /nfs/dbraw/zinc/40/82/47/575408247.db2.gz YPXWGYAQXFQKOZ-SXZORUHJSA-N -1 3 338.407 3.405 10 30 EGEEHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])C=CC1CC1 ZINC000744028577 576819204 /nfs/dbraw/zinc/81/92/04/576819204.db2.gz KGVACWYCDGXINQ-FOQNGQEVSA-N -1 3 332.787 3.271 10 30 EGEEHM CCOC(=O)C[C@@H](CC#N)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000870617267 1295978858 /nfs/dbraw/zinc/97/88/58/1295978858.db2.gz IORZSYBZJAADSM-SECBINFHSA-N -1 3 340.788 3.275 10 30 EGEEHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C#N ZINC000859477388 1328996846 /nfs/dbraw/zinc/99/68/46/1328996846.db2.gz BKNAVFBGOMQZLA-UHFFFAOYSA-N -1 3 349.390 3.132 10 30 EGEEHM C[C@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001184348707 1387436079 /nfs/dbraw/zinc/43/60/79/1387436079.db2.gz RIBJTTWHPJTREK-JTQLQIEISA-N -1 3 336.294 3.395 10 30 EGEEHM N#Cc1c([N-]C(=O)c2csc(-c3ncc[nH]3)n2)sc2c1CCC2 ZINC001124214440 1372684169 /nfs/dbraw/zinc/68/41/69/1372684169.db2.gz SWYHOATYCRIEOG-UHFFFAOYSA-N -1 3 341.421 3.207 10 30 EGEEHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)C1 ZINC001136934459 1377442843 /nfs/dbraw/zinc/44/28/43/1377442843.db2.gz NASCEABPTPWWJF-BBATYDOGSA-N -1 3 343.814 3.384 10 30 EGEEHM CC(C)(C)CCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001306892595 1383915809 /nfs/dbraw/zinc/91/58/09/1383915809.db2.gz JKBTWVLCQQYKMQ-UHFFFAOYSA-N -1 3 346.427 3.107 10 30 EGEEHM Cn1cc(C(=O)N([O-])Cc2ccccc2Cl)c(-c2ccoc2)n1 ZINC001306895366 1383916076 /nfs/dbraw/zinc/91/60/76/1383916076.db2.gz ZLFNDNXHAPILQJ-UHFFFAOYSA-N -1 3 331.759 3.365 10 30 EGEEHM C=CCCC[C@H]([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)OC ZINC001177964964 1386096919 /nfs/dbraw/zinc/09/69/19/1386096919.db2.gz YWWYJOHXTIMENQ-ZDUSSCGKSA-N -1 3 345.773 3.446 10 30 EGEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1Cc2ccccc2[C@H]1C ZINC001339196639 1389937832 /nfs/dbraw/zinc/93/78/32/1389937832.db2.gz NIQOJVGAZLBABD-GFCCVEGCSA-N -1 3 348.410 3.016 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H](CCCC)NC(=O)c1ccccc1[O-] ZINC001334803230 1390594163 /nfs/dbraw/zinc/59/41/63/1390594163.db2.gz MRQQVPFGABJSSB-HNNXBMFYSA-N -1 3 346.471 3.399 10 30 EGEEHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3cccc(F)n3)cnc21 ZINC001342563278 1390626910 /nfs/dbraw/zinc/62/69/10/1390626910.db2.gz VXPGHSQRPLFXNQ-CQSZACIVSA-N -1 3 337.358 3.111 10 30 EGEEHM C=CCC1(C(=O)NC[C@@H](C)N(C)C(=O)c2ccccc2[O-])CCCC1 ZINC001734782366 1438270714 /nfs/dbraw/zinc/27/07/14/1438270714.db2.gz KGSWTCRGGVKMDA-OAHLLOKOSA-N -1 3 344.455 3.105 10 30 EGEEHM Cc1ccc(C([O-])=C(C#N)c2nnc(-c3ccccc3)n2C)cc1F ZINC000058168321 214491126 /nfs/dbraw/zinc/49/11/26/214491126.db2.gz GCMQLEGGUREDFE-HNNXBMFYSA-N -1 3 334.354 3.420 10 30 EGEEHM COc1ccc(Cl)cc1C([O-])=C(C#N)C(=O)Nc1ccc(F)cc1 ZINC000103501883 219308683 /nfs/dbraw/zinc/30/86/83/219308683.db2.gz QKHAJOABFDBTAA-CQSZACIVSA-N -1 3 346.745 3.449 10 30 EGEEHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000058393042 258014594 /nfs/dbraw/zinc/01/45/94/258014594.db2.gz JTCHRTDSPPZNOB-UHFFFAOYSA-N -1 3 343.386 3.228 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(C#N)cc1 ZINC000131192169 162394495 /nfs/dbraw/zinc/39/44/95/162394495.db2.gz PHFJMOOAMXDFAW-JTQLQIEISA-N -1 3 338.791 3.390 10 30 EGEEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 ZINC000175624526 265126690 /nfs/dbraw/zinc/12/66/90/265126690.db2.gz OTHFXKHXLHNPEN-SECBINFHSA-N -1 3 341.845 3.016 10 30 EGEEHM CN(C)c1cccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000493179502 267293832 /nfs/dbraw/zinc/29/38/32/267293832.db2.gz HYKPBQWCVDGCJE-UHFFFAOYSA-N -1 3 335.816 3.078 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc3ccccc32)s1 ZINC000435439015 268256111 /nfs/dbraw/zinc/25/61/11/268256111.db2.gz SLUKTTDAKHEEML-UHFFFAOYSA-N -1 3 342.445 3.294 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)c(F)c1 ZINC000548976953 315066673 /nfs/dbraw/zinc/06/66/73/315066673.db2.gz KROMDBUDQLWVQW-UHFFFAOYSA-N -1 3 344.411 3.169 10 30 EGEEHM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000088547089 454111485 /nfs/dbraw/zinc/11/14/85/454111485.db2.gz XLBTZZARZBXVAD-UHFFFAOYSA-N -1 3 340.763 3.160 10 30 EGEEHM CCN(C[C@H](C)C#N)C(=O)c1c[n-]c2c(F)c(Cl)ccc2c1=O ZINC000072289307 454285984 /nfs/dbraw/zinc/28/59/84/454285984.db2.gz LLGXLJFMSANYAK-SECBINFHSA-N -1 3 335.766 3.355 10 30 EGEEHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(F)c(F)c(F)c2)cc1 ZINC000100819228 454467912 /nfs/dbraw/zinc/46/79/12/454467912.db2.gz WYPYSFRJGXDFKC-GFCCVEGCSA-N -1 3 348.280 3.074 10 30 EGEEHM O=C(CCOCC(F)F)[N-][C@H](c1cccc(F)c1F)C(F)(F)F ZINC000190180201 455285619 /nfs/dbraw/zinc/28/56/19/455285619.db2.gz XVBPIDUUCOOYBC-GFCCVEGCSA-N -1 3 347.230 3.356 10 30 EGEEHM C=C(C)COc1cccc(NC([O-])=NOC(C)(C)C(=O)OCC)c1 ZINC000296304536 455904759 /nfs/dbraw/zinc/90/47/59/455904759.db2.gz ABOQMRSNABGTRP-UHFFFAOYSA-N -1 3 336.388 3.036 10 30 EGEEHM C=C(C)COc1cccc(NC(=O)[N-]OC(C)(C)C(=O)OCC)c1 ZINC000296304536 455904760 /nfs/dbraw/zinc/90/47/60/455904760.db2.gz ABOQMRSNABGTRP-UHFFFAOYSA-N -1 3 336.388 3.036 10 30 EGEEHM C=C(C[N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000344890017 456870011 /nfs/dbraw/zinc/87/00/11/456870011.db2.gz SQVLOJTUSMVKAV-UHFFFAOYSA-N -1 3 342.342 3.092 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c(Cl)c1 ZINC000355716696 457405641 /nfs/dbraw/zinc/40/56/41/457405641.db2.gz RLSXQEKVZLMMQP-JTQLQIEISA-N -1 3 334.775 3.068 10 30 EGEEHM Cn1c2ccc(C([O-])=C(C#N)c3ccccn3)cc2nc1C(F)F ZINC000342635410 457419123 /nfs/dbraw/zinc/41/91/23/457419123.db2.gz KEIADZHUEBYIHJ-LLVKDONJSA-N -1 3 326.306 3.396 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3CCCC(C)(C)[C@@H]3C#N)c([O-])c2O1 ZINC000408415665 457569946 /nfs/dbraw/zinc/56/99/46/457569946.db2.gz OYYHPLNRPSKSFI-AWEZNQCLSA-N -1 3 328.412 3.260 10 30 EGEEHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccn2)C1 ZINC000547806505 458797114 /nfs/dbraw/zinc/79/71/14/458797114.db2.gz FDZIARRWBSFNJR-HIFRSBDPSA-N -1 3 345.406 3.294 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-]C2(c3ccc(C#N)cc3)CCC2)c(F)c1 ZINC000594493549 459058942 /nfs/dbraw/zinc/05/89/42/459058942.db2.gz OTWRJWFDHAFHOJ-UHFFFAOYSA-N -1 3 344.411 3.364 10 30 EGEEHM O=C(NCc1ncccc1[O-])c1ccc(C#Cc2ccccc2)cc1 ZINC000526942859 459562806 /nfs/dbraw/zinc/56/28/06/459562806.db2.gz AWBBYRLLGZHDMX-UHFFFAOYSA-N -1 3 328.371 3.117 10 30 EGEEHM CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000610087173 460060709 /nfs/dbraw/zinc/06/07/09/460060709.db2.gz SMQUVVUKIOHDLA-JTQLQIEISA-N -1 3 334.363 3.147 10 30 EGEEHM C=C(C)[C@H](CO)Sc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000649412283 462503069 /nfs/dbraw/zinc/50/30/69/462503069.db2.gz PKIQMDUFYLUZAR-LBPRGKRZSA-N -1 3 325.821 3.066 10 30 EGEEHM COc1cc(/C=C\C(=O)c2ccc([O-])c(C)c2)cc2c1OCCO2 ZINC000728230176 574731760 /nfs/dbraw/zinc/73/17/60/574731760.db2.gz AXHIWMGTUCARIV-HYXAFXHYSA-N -1 3 326.348 3.377 10 30 EGEEHM CCOc1ccc(/C=N/[C@@H]2CCCN(c3ccccc3)C2=O)c([O-])c1 ZINC000733904588 575408254 /nfs/dbraw/zinc/40/82/54/575408254.db2.gz YPXWGYAQXFQKOZ-ALDSOSFCSA-N -1 3 338.407 3.405 10 30 EGEEHM COc1cccc(N2CCC[C@H](/N=C/c3c([O-])cccc3OC)C2)c1 ZINC000735228319 575619627 /nfs/dbraw/zinc/61/96/27/575619627.db2.gz AIQDTKLEVMINRS-PCXKXAPESA-N -1 3 340.423 3.497 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000179182668 1294777221 /nfs/dbraw/zinc/77/72/21/1294777221.db2.gz YZSMQZZVRORMTQ-MARXPDLDSA-N -1 3 327.771 3.069 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000179182668 1294777225 /nfs/dbraw/zinc/77/72/25/1294777225.db2.gz YZSMQZZVRORMTQ-MARXPDLDSA-N -1 3 327.771 3.069 10 30 EGEEHM N#CC1(CNCc2cc(Br)cc(F)c2[O-])CCCC1 ZINC000895133762 1309202632 /nfs/dbraw/zinc/20/26/32/1309202632.db2.gz OVNNKHKAHGEHND-UHFFFAOYSA-N -1 3 327.197 3.467 10 30 EGEEHM COc1ccc(CNC(=S)NN=Cc2cc(Cl)ccc2[O-])cc1 ZINC000916281636 1319631852 /nfs/dbraw/zinc/63/18/52/1319631852.db2.gz PBFYLWFCDNABDR-UHFFFAOYSA-N -1 3 349.843 3.052 10 30 EGEEHM C=C(C)C[C@@H](/N=C/c1cc(Br)ccc1[O-])C(=O)OC ZINC000864347080 1329609072 /nfs/dbraw/zinc/60/90/72/1329609072.db2.gz JWSXQLPAWKAPLZ-GGNJANJASA-N -1 3 326.190 3.081 10 30 EGEEHM N#Cc1ccnnc1Sc1nnc([N-]c2ccccc2F)s1 ZINC001184572114 1387495902 /nfs/dbraw/zinc/49/59/02/1387495902.db2.gz KPBIXHSZZYQZBF-UHFFFAOYSA-N -1 3 330.373 3.234 10 30 EGEEHM CCn1ccnc1C(C#N)=C([O-])c1cccc(F)c1OC(F)(F)F ZINC001123232916 1372403217 /nfs/dbraw/zinc/40/32/17/1372403217.db2.gz DRJUPXRZYIRJBL-SNVBAGLBSA-N -1 3 341.264 3.431 10 30 EGEEHM N#C[C@@H](NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CCCCC1 ZINC001148335029 1379153919 /nfs/dbraw/zinc/15/39/19/1379153919.db2.gz RPNZNCGCQFXZJI-OAHLLOKOSA-N -1 3 343.814 3.384 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001287354544 1381183441 /nfs/dbraw/zinc/18/34/41/1381183441.db2.gz OLPZMKZLCUOKPL-HNNXBMFYSA-N -1 3 345.773 3.142 10 30 EGEEHM COC(=O)[C@@H]1CC[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)C1 ZINC001161784197 1382504750 /nfs/dbraw/zinc/50/47/50/1382504750.db2.gz LNJPPUUXFPJSDG-WDEREUQCSA-N -1 3 346.210 3.301 10 30 EGEEHM O=C(c1cnc(-c2ccccn2)nc1)N([O-])Cc1ccccc1Cl ZINC001161807112 1382513422 /nfs/dbraw/zinc/51/34/22/1382513422.db2.gz CBINUVGLDBCYOP-UHFFFAOYSA-N -1 3 340.770 3.224 10 30 EGEEHM CCCCCCN([O-])C(=O)CN1C(=S)N=NC1c1cccs1 ZINC001161819454 1382519751 /nfs/dbraw/zinc/51/97/51/1382519751.db2.gz UMPQKNWETNCAIN-UHFFFAOYSA-N -1 3 340.474 3.093 10 30 EGEEHM C=CC(C)(C)CC(=O)NC[C@@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001297550772 1383183069 /nfs/dbraw/zinc/18/30/69/1383183069.db2.gz ZVZOVYQZCZYWJG-HXUWFJFHSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001309579528 1384188014 /nfs/dbraw/zinc/18/80/14/1384188014.db2.gz JHSDBKLZSFQGHM-HNNXBMFYSA-N -1 3 337.391 3.431 10 30 EGEEHM C#CCC1([N-]S(=O)(=O)c2ccc(C)c(F)c2F)CCCCC1 ZINC001309890949 1384199731 /nfs/dbraw/zinc/19/97/31/1384199731.db2.gz KGJCZAJSZJQXEF-UHFFFAOYSA-N -1 3 327.396 3.278 10 30 EGEEHM C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccc2ncsc2c1 ZINC001321465369 1386910434 /nfs/dbraw/zinc/91/04/34/1386910434.db2.gz XTKMIRSJDJEWHE-JTQLQIEISA-N -1 3 343.433 3.096 10 30 EGEEHM C=C(C)C[C@@H](NCc1cccc([O-])c1Br)C(=O)OCC ZINC001338289849 1389620256 /nfs/dbraw/zinc/62/02/56/1389620256.db2.gz SCSMHMHXIMSWDJ-GFCCVEGCSA-N -1 3 342.233 3.142 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@H](C/C=C/C)C1 ZINC001339014836 1389859470 /nfs/dbraw/zinc/85/94/70/1389859470.db2.gz MEHSZXBTSDVIRM-MASHWEEQSA-N -1 3 329.404 3.007 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C/C=C/C)C1 ZINC001339014835 1389859698 /nfs/dbraw/zinc/85/96/98/1389859698.db2.gz MEHSZXBTSDVIRM-LQPUYASZSA-N -1 3 329.404 3.007 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccc(F)nc1 ZINC001345089916 1390836416 /nfs/dbraw/zinc/83/64/16/1390836416.db2.gz PBEDITBQMGYUIQ-GFCCVEGCSA-N -1 3 343.358 3.047 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(C)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001701516019 1415110684 /nfs/dbraw/zinc/11/06/84/1415110684.db2.gz UBOYWWHLXOPWPE-HNNXBMFYSA-N -1 3 344.455 3.058 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447393 1438490301 /nfs/dbraw/zinc/49/03/01/1438490301.db2.gz JJHGRXXCLRCFPT-WMLDXEAASA-N -1 3 346.471 3.255 10 30 EGEEHM C=C(C)CCC(=O)N(C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001737412241 1438782899 /nfs/dbraw/zinc/78/28/99/1438782899.db2.gz MCJZRZHNYGKHFC-INIZCTEOSA-N -1 3 344.455 3.059 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001739199698 1439296330 /nfs/dbraw/zinc/29/63/30/1439296330.db2.gz VOOGFURHRIAFKY-CABCVRRESA-N -1 3 344.455 3.104 10 30 EGEEHM C#Cc1cc(F)c([N-]S(=O)(=O)Cc2ccccc2F)c(F)c1 ZINC000097140376 218969579 /nfs/dbraw/zinc/96/95/79/218969579.db2.gz PFSZMGOXZBRKEF-UHFFFAOYSA-N -1 3 325.311 3.027 10 30 EGEEHM N#Cc1ccc(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1[O-] ZINC000191133894 268036146 /nfs/dbraw/zinc/03/61/46/268036146.db2.gz WMTGDOKLAKGLPW-LJQANCHMSA-N -1 3 349.434 3.048 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCC(F)(F)C1 ZINC000443498612 268182144 /nfs/dbraw/zinc/18/21/44/268182144.db2.gz IPLMBLFEVKNRKI-NSHDSACASA-N -1 3 334.775 3.068 10 30 EGEEHM O=C(CCOCC(F)F)[N-][C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000190179245 455285644 /nfs/dbraw/zinc/28/56/44/455285644.db2.gz XVBPIDUUCOOYBC-LBPRGKRZSA-N -1 3 347.230 3.356 10 30 EGEEHM Cn1c(C(C#N)=C([O-])C=Cc2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000012603778 453381521 /nfs/dbraw/zinc/38/15/21/453381521.db2.gz WILSGPDRFZKBCJ-SHQCLWGWSA-N -1 3 346.346 3.371 10 30 EGEEHM Cc1ccc2c(c1)c(=O)[nH]c1c(-c3nc4ccccc4s3)c([O-])cn12 ZINC000102135442 454494287 /nfs/dbraw/zinc/49/42/87/454494287.db2.gz WGFPUFNFLCWKGQ-UHFFFAOYSA-N -1 3 347.399 3.106 10 30 EGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000183675658 455319844 /nfs/dbraw/zinc/31/98/44/455319844.db2.gz CVGDOVJCIIBSGN-LLVKDONJSA-N -1 3 341.845 3.098 10 30 EGEEHM C=CCC1(C(=O)N=c2cc(-c3cc(C)cc(C)c3)[n-][nH]2)CCOCC1 ZINC000425156568 457453388 /nfs/dbraw/zinc/45/33/88/457453388.db2.gz MUXNFIWZAOBHBM-UHFFFAOYSA-N -1 3 339.439 3.427 10 30 EGEEHM N#CC(=C([O-])c1ccc(NC(N)=O)cc1)c1nccc2ccccc21 ZINC000361527939 457771307 /nfs/dbraw/zinc/77/13/07/457771307.db2.gz TWMDOVMWPMDOBP-MRXNPFEDSA-N -1 3 330.347 3.215 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000459323545 458330311 /nfs/dbraw/zinc/33/03/11/458330311.db2.gz IRHXFVXODRJFLV-UHFFFAOYSA-N -1 3 340.383 3.156 10 30 EGEEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)c1 ZINC000431622063 458596586 /nfs/dbraw/zinc/59/65/86/458596586.db2.gz DWFJEOYWXUKNDM-INIZCTEOSA-N -1 3 346.456 3.177 10 30 EGEEHM Cc1nc(C)c(S(=O)(=O)[N-][C@H](CCCC#N)c2ccccc2)s1 ZINC000431628315 458598643 /nfs/dbraw/zinc/59/86/43/458598643.db2.gz OTCJZRJHCJSWEZ-OAHLLOKOSA-N -1 3 349.481 3.473 10 30 EGEEHM N#CCC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000439674382 458738199 /nfs/dbraw/zinc/73/81/99/458738199.db2.gz XGLRBAQRQCZGDJ-MRXNPFEDSA-N -1 3 331.375 3.303 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c(Cl)cc1F ZINC000443230429 459101290 /nfs/dbraw/zinc/10/12/90/459101290.db2.gz XNEUQYPFBXADCU-UHFFFAOYSA-N -1 3 344.839 3.396 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC000594780552 459154091 /nfs/dbraw/zinc/15/40/91/459154091.db2.gz BWSXRFMWNKHKRZ-UONOGXRCSA-N -1 3 332.450 3.158 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCC1 ZINC000593545628 459921423 /nfs/dbraw/zinc/92/14/23/459921423.db2.gz WRVPZGMHXGIVKR-INIZCTEOSA-N -1 3 332.450 3.439 10 30 EGEEHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593619992 459934709 /nfs/dbraw/zinc/93/47/09/459934709.db2.gz JMVHTUVEMJLKIB-UHFFFAOYSA-N -1 3 336.388 3.243 10 30 EGEEHM Cc1cc(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)n(CCC#N)n1 ZINC000598683545 459992926 /nfs/dbraw/zinc/99/29/26/459992926.db2.gz JIACPOTVNWTRGL-UHFFFAOYSA-N -1 3 338.289 3.082 10 30 EGEEHM CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000599446404 460254794 /nfs/dbraw/zinc/25/47/94/460254794.db2.gz SANPNDJCGRUCQU-UHFFFAOYSA-N -1 3 334.363 3.047 10 30 EGEEHM CCOC(=O)c1c(C)[n-]nc1N=NCc1ccc(C(F)(F)F)cc1 ZINC000004336906 521398898 /nfs/dbraw/zinc/39/88/98/521398898.db2.gz VZELAHZPNAXDJW-UFWORHAWSA-N -1 3 340.305 3.360 10 30 EGEEHM N#CC(=C([O-])c1cnn(CC(F)(F)F)c1)c1ccc2ccccc2n1 ZINC000682499986 550106301 /nfs/dbraw/zinc/10/63/01/550106301.db2.gz ZTMLBMQNXFTNAE-CYBMUJFWSA-N -1 3 344.296 3.484 10 30 EGEEHM Cc1cc2c(c(F)c1)[N-]C(=O)C2=NNc1ccc(Br)cn1 ZINC000727262885 574657213 /nfs/dbraw/zinc/65/72/13/574657213.db2.gz BRRLSYNGGCFFCN-UHFFFAOYSA-N -1 3 349.163 3.060 10 30 EGEEHM COc1cccc([O-])c1/C=N\[C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000730146626 574925681 /nfs/dbraw/zinc/92/56/81/574925681.db2.gz CIKGPFMPFVNTAK-RQZLXBNYSA-N -1 3 329.396 3.468 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccc(C(F)(F)F)s2)c1[O-] ZINC000871597039 1296447330 /nfs/dbraw/zinc/44/73/30/1296447330.db2.gz JZOMDCWAICLGDO-NGYBGAFCSA-N -1 3 330.331 3.287 10 30 EGEEHM C#CCC1(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CCC1 ZINC000886804650 1303604332 /nfs/dbraw/zinc/60/43/32/1303604332.db2.gz CXPJGPPMJLASPK-UHFFFAOYSA-N -1 3 335.429 3.166 10 30 EGEEHM C#CC[C@@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000887243636 1303715296 /nfs/dbraw/zinc/71/52/96/1303715296.db2.gz UDDUDJVPPRQERU-CQSZACIVSA-N -1 3 336.395 3.035 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cscc1Cl ZINC000894172521 1306260584 /nfs/dbraw/zinc/26/05/84/1306260584.db2.gz BJDWHFUNZPUYQD-UHFFFAOYSA-N -1 3 349.843 3.240 10 30 EGEEHM C#CC[C@H](COC)[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC000863806225 1329582752 /nfs/dbraw/zinc/58/27/52/1329582752.db2.gz FBWSCDJOSDKBGX-SECBINFHSA-N -1 3 336.165 3.240 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)C(C)(F)F ZINC000867786668 1330220585 /nfs/dbraw/zinc/22/05/85/1330220585.db2.gz HHIOTBAPRWLRBQ-UHFFFAOYSA-N -1 3 336.791 3.171 10 30 EGEEHM O=C(c1cc(-n2ccnc2)ccc1O)N([O-])Cc1ccccc1Cl ZINC001184283431 1387422644 /nfs/dbraw/zinc/42/26/44/1387422644.db2.gz JSNFZOKLOJDQDG-UHFFFAOYSA-N -1 3 343.770 3.263 10 30 EGEEHM C=CCC1(C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)CCCCC1 ZINC001137598306 1377570100 /nfs/dbraw/zinc/57/01/00/1377570100.db2.gz IBENYGNEIBKLNS-CQSZACIVSA-N -1 3 340.464 3.474 10 30 EGEEHM O=C(c1ccc2c(=O)[nH]cnc2c1)N([O-])Cc1ccccc1Cl ZINC001161808072 1382513612 /nfs/dbraw/zinc/51/36/12/1382513612.db2.gz VMYBLNSEXGJDBR-UHFFFAOYSA-N -1 3 329.743 3.020 10 30 EGEEHM C=CC[S@](=O)(=NC(=O)c1ccc(C(C)=O)c([O-])c1)c1ccccc1 ZINC001304738409 1383853281 /nfs/dbraw/zinc/85/32/81/1383853281.db2.gz UZKDNGMPADQQJO-XMMPIXPASA-N -1 3 343.404 3.448 10 30 EGEEHM O=C(c1cc(=O)[nH]c(C2CC2)n1)N([O-])Cc1cccc2ccccc21 ZINC001306900179 1383917796 /nfs/dbraw/zinc/91/77/96/1383917796.db2.gz KASXCDVAPJJBGG-UHFFFAOYSA-N -1 3 335.363 3.244 10 30 EGEEHM C=CCCCCCCC[N-]S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC001309556410 1384186655 /nfs/dbraw/zinc/18/66/55/1384186655.db2.gz BJGDCXWKJAYRHY-FQEVSTJZSA-N -1 3 338.539 3.244 10 30 EGEEHM C=C1CCC(C(=O)NCCC[C@@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001335894624 1388962840 /nfs/dbraw/zinc/96/28/40/1388962840.db2.gz WKVADFUICOIEFU-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ccccc1[N+](=O)[O-] ZINC001177008333 1385772208 /nfs/dbraw/zinc/77/22/08/1385772208.db2.gz NIKTXBICCFORJS-LLVKDONJSA-N -1 3 345.305 3.436 10 30 EGEEHM N#CC(C(=O)Cc1cc(C2CC2)no1)=C([O-])C1(c2ccccc2)CC1 ZINC001344022822 1390750719 /nfs/dbraw/zinc/75/07/19/1390750719.db2.gz PKCVRWRBMILWRF-MRXNPFEDSA-N -1 3 334.375 3.104 10 30 EGEEHM C[C@H]1CCc2c(C#N)c([N-]C(=O)c3ncc(Cl)cn3)sc2C1 ZINC001350719477 1391514093 /nfs/dbraw/zinc/51/40/93/1391514093.db2.gz JLJSRPOXODMNMK-QMMMGPOBSA-N -1 3 332.816 3.440 10 30 EGEEHM CSc1ccc(CNC(=O)NCc2c([O-])cccc2F)cc1C#N ZINC001687595177 1396418357 /nfs/dbraw/zinc/41/83/57/1396418357.db2.gz WMQAUHSTFARUOY-UHFFFAOYSA-N -1 3 345.399 3.124 10 30 EGEEHM C=C1CC(C)(C(=O)NC[C@@H](CCCC)NC(=O)c2ccccc2[O-])C1 ZINC001734847018 1438302539 /nfs/dbraw/zinc/30/25/39/1438302539.db2.gz BGUYSNIKKHCJSX-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C1CCC(C(=O)NCCCN(CC)C(=O)c2ccccc2[O-])CC1 ZINC001737287866 1438752432 /nfs/dbraw/zinc/75/24/32/1438752432.db2.gz XSQFCVUNIUYKMW-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H](CNC(=O)c1ccccc1[O-])CC(C)C ZINC001759467856 1441290820 /nfs/dbraw/zinc/29/08/20/1441290820.db2.gz QRLGARLPJBXHMQ-OAHLLOKOSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCN(CC=C)C(=O)c1c[n-]c2c(cccc2C(F)(F)F)c1=O ZINC000040176989 213280022 /nfs/dbraw/zinc/28/00/22/213280022.db2.gz OHSXMNVJCJEJQM-UHFFFAOYSA-N -1 3 336.313 3.361 10 30 EGEEHM C=CCN(CC=C)C(=O)c1cnc2c(cccc2C(F)(F)F)c1[O-] ZINC000040176989 213280024 /nfs/dbraw/zinc/28/00/24/213280024.db2.gz OHSXMNVJCJEJQM-UHFFFAOYSA-N -1 3 336.313 3.361 10 30 EGEEHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2cscc2C#N)[n-]1 ZINC000410754311 266039626 /nfs/dbraw/zinc/03/96/26/266039626.db2.gz NPJVGQNBEDJROK-UHFFFAOYSA-N -1 3 346.412 3.114 10 30 EGEEHM CCCCc1nc(NC(=O)c2cscc2C#N)c(C(=O)OCC)[n-]1 ZINC000410754311 266039629 /nfs/dbraw/zinc/03/96/29/266039629.db2.gz NPJVGQNBEDJROK-UHFFFAOYSA-N -1 3 346.412 3.114 10 30 EGEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc([O-])c(F)c1 ZINC000132834009 307663402 /nfs/dbraw/zinc/66/34/02/307663402.db2.gz CLTBWWHKLUOUHW-SFHVURJKSA-N -1 3 342.370 3.123 10 30 EGEEHM O=C(CCCCCNC(=O)c1ccc(-c2ccccc2)cc1)N[O-] ZINC000013472306 453464835 /nfs/dbraw/zinc/46/48/35/453464835.db2.gz XMTHYZUOJBKOQM-UHFFFAOYSA-N -1 3 326.396 3.149 10 30 EGEEHM Cc1c([O-])ccc2c(CN(CCC#N)[C@H](C)C3CC3)cc(=O)oc12 ZINC000069809420 454146726 /nfs/dbraw/zinc/14/67/26/454146726.db2.gz SFYBNDISYZJCEC-CYBMUJFWSA-N -1 3 326.396 3.321 10 30 EGEEHM O=c1[nH]c2c(-c3ccccc3)c([O-])cn2c2c3ccccc3sc21 ZINC000102228652 454496528 /nfs/dbraw/zinc/49/65/28/454496528.db2.gz MFPVMPXPPULQJB-UHFFFAOYSA-N -1 3 332.384 3.403 10 30 EGEEHM COc1ccccc1C=CC([O-])=C(C#N)C(=O)Nc1ccc(F)cc1 ZINC000104258159 454579956 /nfs/dbraw/zinc/57/99/56/454579956.db2.gz ZPSJTSBMRQCUBI-BCTQVIJGSA-N -1 3 338.338 3.195 10 30 EGEEHM N#CC(=C([O-])c1ccc(-c2ncon2)cc1)c1nc2ccccc2[nH]1 ZINC000107407985 454755220 /nfs/dbraw/zinc/75/52/20/454755220.db2.gz POPZAMWOFXKULI-ZDUSSCGKSA-N -1 3 329.319 3.103 10 30 EGEEHM CC(C)n1cc(C([O-])=C(C#N)C(=O)Nc2cccc(Cl)c2)cn1 ZINC000170605044 454940408 /nfs/dbraw/zinc/94/04/08/454940408.db2.gz SIZUFVZRZLZNGW-CQSZACIVSA-N -1 3 330.775 3.079 10 30 EGEEHM N#CC(=C([O-])c1cnn(CCC(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000181463554 455339022 /nfs/dbraw/zinc/33/90/22/455339022.db2.gz LMZSPQLMCDYJNP-NSHDSACASA-N -1 3 347.300 3.202 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000184305020 455369784 /nfs/dbraw/zinc/36/97/84/455369784.db2.gz RLMWREYYYPGQER-CQSZACIVSA-N -1 3 330.428 3.172 10 30 EGEEHM Cc1ccc([O-])c[n+]1C(C(=O)c1ccccc1)C(=S)[N-]C1CCC1 ZINC000292307500 455624566 /nfs/dbraw/zinc/62/45/66/455624566.db2.gz KZGLMIZOKNTWED-UHFFFAOYSA-O -1 3 341.456 3.069 10 30 EGEEHM C=CCOc1ccc(CN[C@]2(C(=O)[O-])CCc3c2cccc3F)cc1 ZINC000340671186 456612099 /nfs/dbraw/zinc/61/20/99/456612099.db2.gz KWNNXFGACPFMEL-HXUWFJFHSA-N -1 3 341.382 3.406 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000354702950 457312507 /nfs/dbraw/zinc/31/25/07/457312507.db2.gz GQMWZLAXFGLWAF-LALPHHSUSA-N -1 3 329.444 3.101 10 30 EGEEHM C=CCn1c(=O)[n-]nc1S[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000366118664 457794125 /nfs/dbraw/zinc/79/41/25/457794125.db2.gz NJWAZEPNHFCHNI-JTQLQIEISA-N -1 3 329.385 3.073 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@@H](C#N)c2cccc(C(F)(F)F)c2)o1 ZINC000358519199 458052949 /nfs/dbraw/zinc/05/29/49/458052949.db2.gz XMBISAATVKAKGX-LBPRGKRZSA-N -1 3 344.314 3.150 10 30 EGEEHM Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC#N)C2)c(Cl)cc1F ZINC000451740267 458486534 /nfs/dbraw/zinc/48/65/34/458486534.db2.gz ZTHLUQHIDACJJL-QWRGUYRKSA-N -1 3 330.812 3.148 10 30 EGEEHM C[C@H]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000424409455 458635323 /nfs/dbraw/zinc/63/53/23/458635323.db2.gz GNHYYRGRQVYXGQ-HZMBPMFUSA-N -1 3 326.318 3.262 10 30 EGEEHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccn2)C1 ZINC000547806504 458797095 /nfs/dbraw/zinc/79/70/95/458797095.db2.gz FDZIARRWBSFNJR-DZGCQCFKSA-N -1 3 345.406 3.294 10 30 EGEEHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)ccn2)C1 ZINC000547806506 458797243 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N#Cc1sccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCC1 ZINC000593545630 459920827 /nfs/dbraw/zinc/92/08/27/459920827.db2.gz WRVPZGMHXGIVKR-MRXNPFEDSA-N -1 3 332.450 3.439 10 30 EGEEHM O=C(c1cc([O-])cc(C(F)(F)F)c1)N1CC(F)(F)C(F)(F)C1 ZINC000622099540 460189572 /nfs/dbraw/zinc/18/95/72/460189572.db2.gz DEOKXADYIBXXLV-UHFFFAOYSA-N -1 3 331.187 3.137 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CC=CCC1 ZINC000600393057 460489097 /nfs/dbraw/zinc/48/90/97/460489097.db2.gz HGQBBCNJNXVALN-OAHLLOKOSA-N -1 3 327.428 3.071 10 30 EGEEHM O=C(CC(F)(F)F)N1CCC(/N=C/c2cc(Cl)ccc2[O-])CC1 ZINC000726890358 574596103 /nfs/dbraw/zinc/59/61/03/574596103.db2.gz KGDFAABALMHOLC-AWQFTUOYSA-N -1 3 348.752 3.408 10 30 EGEEHM N#Cc1ccc(COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730364400 574978217 /nfs/dbraw/zinc/97/82/17/574978217.db2.gz KRMCWNLDVMJTKL-UHFFFAOYSA-N -1 3 332.153 3.383 10 30 EGEEHM Cc1cc(C)c(CN=Cc2cc(Br)ccc2[O-])c(=O)[nH]1 ZINC000730546256 574999753 /nfs/dbraw/zinc/99/97/53/574999753.db2.gz 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1387422785 /nfs/dbraw/zinc/42/27/85/1387422785.db2.gz YBLBMSJAFZPYEI-UHFFFAOYSA-N -1 3 331.734 3.454 10 30 EGEEHM Cn1c(=O)oc2c1cccc2C(=O)N([O-])Cc1cccc2ccccc21 ZINC001184341163 1387433386 /nfs/dbraw/zinc/43/33/86/1387433386.db2.gz VDRDQYNSHFMKMG-UHFFFAOYSA-N -1 3 348.358 3.316 10 30 EGEEHM CCOc1cc([N-]C(=O)c2coc(C#N)c2)c([N+](=O)[O-])cc1OCC ZINC001124538169 1372710139 /nfs/dbraw/zinc/71/01/39/1372710139.db2.gz UVODQXZTQSTMOA-UHFFFAOYSA-N -1 3 345.311 3.109 10 30 EGEEHM N#Cc1cc([N-]C(=O)c2cnc(Br)s2)c(F)cc1F ZINC001132470236 1375412461 /nfs/dbraw/zinc/41/24/61/1375412461.db2.gz ITLVRWORICKSOM-UHFFFAOYSA-N -1 3 344.140 3.308 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N(CCCNC(=O)c1ccccc1[O-])C(C)C ZINC001284769498 1380194289 /nfs/dbraw/zinc/19/42/89/1380194289.db2.gz RMCJAARJDFVYGT-MRXNPFEDSA-N -1 3 346.471 3.351 10 30 EGEEHM N#Cc1cnc(C(=O)N([O-])CCCCc2ccccc2)c(Cl)c1 ZINC001161819387 1382519584 /nfs/dbraw/zinc/51/95/84/1382519584.db2.gz RIYFHBRYXHZHNZ-UHFFFAOYSA-N -1 3 329.787 3.461 10 30 EGEEHM CCCCCCN([O-])C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001161819242 1382519950 /nfs/dbraw/zinc/51/99/50/1382519950.db2.gz PWEQKQFFGNXUJZ-UHFFFAOYSA-N -1 3 332.360 3.192 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001161826920 1382522971 /nfs/dbraw/zinc/52/29/71/1382522971.db2.gz PNWZNIQDDOCDSZ-OAHLLOKOSA-N -1 3 338.835 3.491 10 30 EGEEHM CCCCN([O-])C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC001161827219 1382523146 /nfs/dbraw/zinc/52/31/46/1382523146.db2.gz XXECSJZODQWNAE-UHFFFAOYSA-N -1 3 349.456 3.124 10 30 EGEEHM O=C(c1cncc(Br)c1)N([O-])Cc1ccc(F)cc1 ZINC001161842894 1382526363 /nfs/dbraw/zinc/52/63/63/1382526363.db2.gz SJYQIYSEVNONDX-UHFFFAOYSA-N -1 3 325.137 3.015 10 30 EGEEHM CCCCCCN([O-])C(=O)CCc1c(C)nc2cc(C)nn2c1C ZINC001306896996 1383916767 /nfs/dbraw/zinc/91/67/67/1383916767.db2.gz VCZRLFGUTXPHBK-UHFFFAOYSA-N -1 3 332.448 3.385 10 30 EGEEHM N#Cc1ccc2c(c1)CCCN2Cc1nnc(-c2ccccc2[O-])o1 ZINC001170661979 1384359120 /nfs/dbraw/zinc/35/91/20/1384359120.db2.gz QVXQOACKPHYXQW-UHFFFAOYSA-N -1 3 332.363 3.267 10 30 EGEEHM CC(C)(C#N)c1ccccc1CN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001175862416 1385424914 /nfs/dbraw/zinc/42/49/14/1385424914.db2.gz VIENAJSFTHNJKW-UHFFFAOYSA-N -1 3 334.423 3.377 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](CC)CC[C@@H]1C ZINC001342189428 1390583529 /nfs/dbraw/zinc/58/35/29/1390583529.db2.gz SHADQWVQTORRLW-QWHCGFSZSA-N -1 3 331.420 3.230 10 30 EGEEHM CCCCCCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001353358526 1391995968 /nfs/dbraw/zinc/99/59/68/1391995968.db2.gz VXLCDLRVYGWBPP-INIZCTEOSA-N -1 3 346.471 3.474 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001704736911 1416712890 /nfs/dbraw/zinc/71/28/90/1416712890.db2.gz BQMBUXHNBMEFRR-SHTZXODSSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001704736987 1416713097 /nfs/dbraw/zinc/71/30/97/1416713097.db2.gz DWMGXWKKHCITDY-STXHMFSFSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NC[C@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001704790653 1416751164 /nfs/dbraw/zinc/75/11/64/1416751164.db2.gz IPTGXUMOWLWHHY-HOTGVXAUSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCC(=O)N(CCC)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001758593590 1441158683 /nfs/dbraw/zinc/15/86/83/1441158683.db2.gz HDKZCNCEQIGSSU-UHFFFAOYSA-N -1 3 344.455 3.202 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000368094992 168310541 /nfs/dbraw/zinc/31/05/41/168310541.db2.gz VKPZYOCFURQQNI-ZUOKHONESA-N -1 3 341.455 3.247 10 30 EGEEHM Cc1ccc([O-])c(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)n1 ZINC000345923446 164296091 /nfs/dbraw/zinc/29/60/91/164296091.db2.gz HNHWNMILKPYDHQ-UHFFFAOYSA-N -1 3 346.346 3.407 10 30 EGEEHM N#Cc1ccc([N+](=O)[O-])c(Sc2nnc(-c3cccs3)[n-]2)c1 ZINC000302210896 268218333 /nfs/dbraw/zinc/21/83/33/268218333.db2.gz MHMKALKCENAAPT-UHFFFAOYSA-N -1 3 329.366 3.464 10 30 EGEEHM N#Cc1ccc([N+](=O)[O-])c(Sc2n[n-]c(-c3cccs3)n2)c1 ZINC000302210896 268218334 /nfs/dbraw/zinc/21/83/34/268218334.db2.gz MHMKALKCENAAPT-UHFFFAOYSA-N -1 3 329.366 3.464 10 30 EGEEHM CC(C)(CCC#N)CNC(=O)Cc1ccc(Br)cc1[O-] ZINC000354971706 457332492 /nfs/dbraw/zinc/33/24/92/457332492.db2.gz DTNIPGLCDBNCPQ-UHFFFAOYSA-N -1 3 339.233 3.143 10 30 EGEEHM CC1([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCC(F)(F)CC1 ZINC000612140546 460552479 /nfs/dbraw/zinc/55/24/79/460552479.db2.gz UCKYSBYARDIYAI-UHFFFAOYSA-N -1 3 348.802 3.458 10 30 EGEEHM N#CC(=C([O-])c1coc(Br)c1)c1nc2ccccc2[nH]1 ZINC000073972081 454509723 /nfs/dbraw/zinc/50/97/23/454509723.db2.gz ZRMJONPYGTUWAE-SECBINFHSA-N -1 3 330.141 3.408 10 30 EGEEHM N#CCCN(Cc1ccccn1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000185874198 455639470 /nfs/dbraw/zinc/63/94/70/455639470.db2.gz ZEQZEDGWDIATPA-UHFFFAOYSA-N -1 3 335.407 3.222 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000294562802 455820067 /nfs/dbraw/zinc/82/00/67/455820067.db2.gz FZCJIIFXVRMGRW-HNNXBMFYSA-N -1 3 329.774 3.369 10 30 EGEEHM Cc1cc(F)c(S(=O)(=O)[N-]c2c(F)cc(C#N)cc2F)cc1F ZINC000225693650 456104214 /nfs/dbraw/zinc/10/42/14/456104214.db2.gz MBWWDBNUMJLIJR-UHFFFAOYSA-N -1 3 344.289 3.224 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1[O-] ZINC000274507588 456260066 /nfs/dbraw/zinc/26/00/66/456260066.db2.gz MTCJANOLUQRGJD-GFCCVEGCSA-N -1 3 339.819 3.150 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@@H](C)[C@@H](C)CC3)n1 ZINC000297863525 456312991 /nfs/dbraw/zinc/31/29/91/456312991.db2.gz OMAMLDAXORLBGR-UWVGGRQHSA-N -1 3 329.429 3.169 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2[C@@H]1C ZINC000341067963 456813555 /nfs/dbraw/zinc/81/35/55/456813555.db2.gz RWSRWAFIHBEFNI-AWEZNQCLSA-N -1 3 335.407 3.312 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000347091542 457225951 /nfs/dbraw/zinc/22/59/51/457225951.db2.gz PBCXRCXOMPDZSF-FKIZINRSSA-N -1 3 349.434 3.258 10 30 EGEEHM Cc1cc(C)nc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000356989340 457261184 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N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1CCC(F)CC1 ZINC000592106174 459525909 /nfs/dbraw/zinc/52/59/09/459525909.db2.gz QYGRENCAPNRZML-UHFFFAOYSA-N -1 3 330.812 3.018 10 30 EGEEHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C(F)(F)F)cc1 ZINC000593279421 459827578 /nfs/dbraw/zinc/82/75/78/459827578.db2.gz OEUHFNQMDOWHSF-ZDUSSCGKSA-N -1 3 346.374 3.107 10 30 EGEEHM CCOc1cccc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593535668 459918601 /nfs/dbraw/zinc/91/86/01/459918601.db2.gz CFAQRCJKQQFVFW-LLVKDONJSA-N -1 3 336.438 3.058 10 30 EGEEHM C=CC[C@H]1CCCC[C@H]1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597863073 460084315 /nfs/dbraw/zinc/08/43/15/460084315.db2.gz CTUOWXPCPKIYFX-MAUKXSAKSA-N -1 3 341.455 3.459 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1C[C@@H](C)C[C@H](C)C1 ZINC000597979544 460134216 /nfs/dbraw/zinc/13/42/16/460134216.db2.gz NLUAQBWNSZUBAG-STQMWFEESA-N -1 3 343.471 3.397 10 30 EGEEHM COc1cc(Br)cc(C=NNc2ccc(C)cn2)c1[O-] ZINC000727259461 574656537 /nfs/dbraw/zinc/65/65/37/574656537.db2.gz FPSARVHRLMFKLJ-UHFFFAOYSA-N -1 3 336.189 3.313 10 30 EGEEHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc(-c2cscn2)c1 ZINC000744039957 576819345 /nfs/dbraw/zinc/81/93/45/576819345.db2.gz UUNAFWZXTHNVFS-AWEZNQCLSA-N -1 3 348.387 3.166 10 30 EGEEHM O=C(CCC(=O)c1ccc(F)cc1F)Nc1nnc(C(F)(F)F)[n-]1 ZINC000051266618 1291670553 /nfs/dbraw/zinc/67/05/53/1291670553.db2.gz FVGBTEGLJLBRBI-UHFFFAOYSA-N -1 3 348.231 3.353 10 30 EGEEHM O=C(CCC(=O)c1ccc(F)cc1F)Nc1nc(C(F)(F)F)n[n-]1 ZINC000051266618 1291670561 /nfs/dbraw/zinc/67/05/61/1291670561.db2.gz FVGBTEGLJLBRBI-UHFFFAOYSA-N -1 3 348.231 3.353 10 30 EGEEHM C#CC1(NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)CCCC1 ZINC000878297073 1299900410 /nfs/dbraw/zinc/90/04/10/1299900410.db2.gz UWEPBECQPRMLFE-UHFFFAOYSA-N -1 3 336.395 3.225 10 30 EGEEHM Cc1cc(C(C#N)=C([O-])C=Cc2ccc(Br)o2)nc(C)n1 ZINC000916879638 1319719683 /nfs/dbraw/zinc/71/96/83/1319719683.db2.gz CJQMERGVELWPDL-FHMRSRPSSA-N -1 3 346.184 3.339 10 30 EGEEHM N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCc1c([O-])cccc1F ZINC000922923322 1322650692 /nfs/dbraw/zinc/65/06/92/1322650692.db2.gz MSYTWPDKUQBREU-QGZVFWFLSA-N -1 3 339.370 3.280 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccccc2CC(F)(F)F)c1[O-] ZINC000864346437 1329608878 /nfs/dbraw/zinc/60/88/78/1329608878.db2.gz WNQCTMMIXITGIC-ZVBGSRNCSA-N -1 3 338.329 3.312 10 30 EGEEHM COc1cc(C(=O)/C=C\c2ccnn2CC2CCC2)c(OC)cc1[O-] ZINC000865221634 1329677058 /nfs/dbraw/zinc/67/70/58/1329677058.db2.gz ZKUWJPCTQQFOCM-SREVYHEPSA-N -1 3 342.395 3.302 10 30 EGEEHM CC[C@H](N[C@@H](C)c1cccc(C#N)c1[O-])c1nnc2n1CCCCC2 ZINC000866254515 1330086077 /nfs/dbraw/zinc/08/60/77/1330086077.db2.gz QEHMEDXDCAUGKZ-BBRMVZONSA-N -1 3 339.443 3.384 10 30 EGEEHM C=CCC[C@H](NCc1nc2c(c(=O)[n-]1)COCC2)c1ccccc1 ZINC000866627488 1330135403 /nfs/dbraw/zinc/13/54/03/1330135403.db2.gz BJNFPKBEKXEUEU-INIZCTEOSA-N -1 3 325.412 3.052 10 30 EGEEHM C=CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCCC1 ZINC001121572563 1372013751 /nfs/dbraw/zinc/01/37/51/1372013751.db2.gz KEMDWXNBXXXQTK-UHFFFAOYSA-N -1 3 327.413 3.047 10 30 EGEEHM C#C[C@@H]([N-]C(=O)C(F)(F)c1cccc(OC)c1)c1ccc(F)cc1 ZINC001129603109 1373401623 /nfs/dbraw/zinc/40/16/23/1373401623.db2.gz MVGQRXPQBUJYFQ-MRXNPFEDSA-N -1 3 333.309 3.417 10 30 EGEEHM Cc1cc(-c2nc(C(=O)[N-]c3cc(C#N)c(F)cc3F)co2)ccn1 ZINC001132470869 1375412259 /nfs/dbraw/zinc/41/22/59/1375412259.db2.gz WKRMFAFZANRCCE-UHFFFAOYSA-N -1 3 340.289 3.447 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001285457537 1380399877 /nfs/dbraw/zinc/39/98/77/1380399877.db2.gz JQDHUFSWSQCDGF-OAHLLOKOSA-N -1 3 346.471 3.209 10 30 EGEEHM COC(=O)N(C)CCCC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001161784636 1382505556 /nfs/dbraw/zinc/50/55/56/1382505556.db2.gz OLYBLNRYXYJOKX-UHFFFAOYSA-N -1 3 349.214 3.190 10 30 EGEEHM CCCCN([O-])C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001161832492 1382523901 /nfs/dbraw/zinc/52/39/01/1382523901.db2.gz ODJRMPUPFFEPLO-INIZCTEOSA-N -1 3 336.432 3.345 10 30 EGEEHM NC(=O)c1ccccc1CCC(=O)N([O-])Cc1cccc2ccccc21 ZINC001306899747 1383917570 /nfs/dbraw/zinc/91/75/70/1383917570.db2.gz AIUABBHGLPCWMM-UHFFFAOYSA-N -1 3 348.402 3.289 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001344024769 1390750979 /nfs/dbraw/zinc/75/09/79/1390750979.db2.gz RGODFVDNJZXBSJ-JXXFODFXSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N[C@@H]1CCCCCN(C(=O)c2ccccc2[O-])C1 ZINC001345176750 1390843713 /nfs/dbraw/zinc/84/37/13/1390843713.db2.gz BAMFBFBTKKGBDF-MRXNPFEDSA-N -1 3 344.455 3.250 10 30 EGEEHM C=CCC1(C(=O)N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])CCCC1 ZINC001734696957 1438226556 /nfs/dbraw/zinc/22/65/56/1438226556.db2.gz XIIYGGSOJNMNEZ-HUUCEWRRSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001735378090 1438471325 /nfs/dbraw/zinc/47/13/25/1438471325.db2.gz FVCDYJMPFVOTCY-CABCVRRESA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@H](CN(C)C(=O)c2ccccc2[O-])C1 ZINC001737418706 1438785967 /nfs/dbraw/zinc/78/59/67/1438785967.db2.gz NVVZIHDYCNHECY-MRXNPFEDSA-N -1 3 344.455 3.059 10 30 EGEEHM C=CC(C)(C)CC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])CC[C@@H]1C ZINC001739185707 1439291959 /nfs/dbraw/zinc/29/19/59/1439291959.db2.gz ASEUEYLCGZYEJY-LSDHHAIUSA-N -1 3 344.455 3.104 10 30 EGEEHM C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)c2ccccc2[O-])CCC1 ZINC001739216637 1439305901 /nfs/dbraw/zinc/30/59/01/1439305901.db2.gz RZLZXJWEKQZHSS-CABCVRRESA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C1CCCC1 ZINC001748047553 1440052729 /nfs/dbraw/zinc/05/27/29/1440052729.db2.gz FWGKQVQOKNSKAC-QGZVFWFLSA-N -1 3 344.455 3.153 10 30 EGEEHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443120923 268044985 /nfs/dbraw/zinc/04/49/85/268044985.db2.gz BMPWAVMXANXJEY-CYBMUJFWSA-N -1 3 332.400 3.088 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C/C=C/c2ccccc2)c(Cl)c1 ZINC000183661384 268197539 /nfs/dbraw/zinc/19/75/39/268197539.db2.gz WSKHGIZWLZXYSY-QPJJXVBHSA-N -1 3 332.812 3.203 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(F)cccc32)s1 ZINC000451592326 268260175 /nfs/dbraw/zinc/26/01/75/268260175.db2.gz QRSMJTBRBZWMBL-AWEZNQCLSA-N -1 3 336.413 3.115 10 30 EGEEHM CSc1ccc([O-])c(C(=O)N2CCc3c(CC#N)cccc3C2)c1 ZINC000600786656 460603022 /nfs/dbraw/zinc/60/30/22/460603022.db2.gz KVEDESPKNAIDKG-UHFFFAOYSA-N -1 3 338.432 3.379 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(OC)cc1[O-] ZINC000130173351 454179070 /nfs/dbraw/zinc/17/90/70/454179070.db2.gz SFNGBHHAOVPLNJ-UHFFFAOYSA-N -1 3 342.351 3.137 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-]Cc1cc2c(c(Br)c1)OCO2 ZINC000293995207 455803103 /nfs/dbraw/zinc/80/31/03/455803103.db2.gz FSNVLOOETNYBQN-UHFFFAOYSA-N -1 3 348.143 3.005 10 30 EGEEHM Cc1nsc([N-]C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1C#N ZINC000297549119 456249922 /nfs/dbraw/zinc/24/99/22/456249922.db2.gz ZIWVIFIILJTNGD-ZDUSSCGKSA-N -1 3 344.396 3.135 10 30 EGEEHM COc1ccc2c(c1)C=C(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)CC2 ZINC000274292919 456255123 /nfs/dbraw/zinc/25/51/23/456255123.db2.gz FPNWOLJBHBMQAH-GOSISDBHSA-N -1 3 348.468 3.230 10 30 EGEEHM N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc([O-])c3)ccc21 ZINC000348141300 456511634 /nfs/dbraw/zinc/51/16/34/456511634.db2.gz FMDVCSSUIZGSFZ-UHFFFAOYSA-N -1 3 349.390 3.227 10 30 EGEEHM C[C@H](C(=O)Nc1cc2c(cc1[O-])n(C)c(=O)n2C)c1cccc(F)c1 ZINC000328594182 456715308 /nfs/dbraw/zinc/71/53/08/456715308.db2.gz XGPQAUPMWFCQAV-JTQLQIEISA-N -1 3 343.358 3.113 10 30 EGEEHM C=C(C[N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1 ZINC000344911488 456870277 /nfs/dbraw/zinc/87/02/77/456870277.db2.gz XJISWJPLCGFUIC-UHFFFAOYSA-N -1 3 342.342 3.092 10 30 EGEEHM Cc1c2ccccc2oc1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000360059520 457231118 /nfs/dbraw/zinc/23/11/18/457231118.db2.gz HVVIRNYYQNWUJB-UHFFFAOYSA-N -1 3 344.367 3.231 10 30 EGEEHM N#Cc1ccccc1Oc1ccccc1C(=O)NCc1ncccc1[O-] ZINC000352509385 457428383 /nfs/dbraw/zinc/42/83/83/457428383.db2.gz PGZGZJBJDWKFEL-UHFFFAOYSA-N -1 3 345.358 3.381 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3CCc4c3cccc4C#N)c([O-])c2O1 ZINC000408464228 457570642 /nfs/dbraw/zinc/57/06/42/457570642.db2.gz DQDRIWGUHGYHST-UHFFFAOYSA-N -1 3 334.375 3.180 10 30 EGEEHM Cn1nnc2cc(C([O-])=C(C#N)c3nccc4ccccc43)ccc21 ZINC000361523857 457770365 /nfs/dbraw/zinc/77/03/65/457770365.db2.gz GYZDACVCWDIRBA-HNNXBMFYSA-N -1 3 327.347 3.007 10 30 EGEEHM COCCOc1cc(C([O-])=C(C#N)c2nccc3ccccc32)ccn1 ZINC000361529042 457772815 /nfs/dbraw/zinc/77/28/15/457772815.db2.gz BYLJWYSVGOYDCU-KRWDZBQOSA-N -1 3 347.374 3.145 10 30 EGEEHM CCc1ccc(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)s1 ZINC000471899098 458748592 /nfs/dbraw/zinc/74/85/92/458748592.db2.gz NFYDAVZQIWSTBS-KRWDZBQOSA-N -1 3 346.477 3.040 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C)(C2CC2)CC1 ZINC000519572287 458965786 /nfs/dbraw/zinc/96/57/86/458965786.db2.gz RKDMAAVHDMSUFT-UHFFFAOYSA-N -1 3 341.455 3.247 10 30 EGEEHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000595365052 459284113 /nfs/dbraw/zinc/28/41/13/459284113.db2.gz UNSRIKGHBHMDMR-CQSZACIVSA-N -1 3 346.374 3.290 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)NCc3ccc(C#N)cc3F)c([O-])c2O1 ZINC000609241079 459930905 /nfs/dbraw/zinc/93/09/05/459930905.db2.gz NPJXWEPUMSPZKW-UHFFFAOYSA-N -1 3 340.354 3.046 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000625326350 460130022 /nfs/dbraw/zinc/13/00/22/460130022.db2.gz SFMNOKRJIFRMMY-UHFFFAOYSA-N -1 3 337.363 3.308 10 30 EGEEHM C=CCCCCCNC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl ZINC000640301777 462355072 /nfs/dbraw/zinc/35/50/72/462355072.db2.gz GTCRAAQWWDYGSF-UHFFFAOYSA-N -1 3 338.761 3.389 10 30 EGEEHM Cn1cc(N2CCC[C@H](/N=C\c3c([O-])ccc4ccccc43)C2)cn1 ZINC000741463178 576687999 /nfs/dbraw/zinc/68/79/99/576687999.db2.gz AEBOXWYHTUBDTJ-IXGURIBZSA-N -1 3 334.423 3.367 10 30 EGEEHM C=C(C)[C@H]1CC=C(C)C(=N[N-]S(=O)(=O)CCc2ccccc2)C1 ZINC000743449140 576809432 /nfs/dbraw/zinc/80/94/32/576809432.db2.gz OBOGFEUQCRYUSA-KRWDZBQOSA-N -1 3 332.469 3.437 10 30 EGEEHM COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]Oc1cccc(C#N)c1 ZINC000870692630 1296023740 /nfs/dbraw/zinc/02/37/40/1296023740.db2.gz IQWPYUKXYQXWGZ-MRXNPFEDSA-N -1 3 336.391 3.487 10 30 EGEEHM C=CC[S@](=O)(=NC(=O)c1c[n-]nc1[C@@H]1CCCO1)c1ccccc1 ZINC000891382055 1305036184 /nfs/dbraw/zinc/03/61/84/1305036184.db2.gz JNNUZODUSCODGR-IZHWHUGBSA-N -1 3 345.424 3.115 10 30 EGEEHM COc1cc(OC)c(CN[C@H](C)c2cccc(C#N)c2[O-])c(OC)c1 ZINC000866237196 1330083167 /nfs/dbraw/zinc/08/31/67/1330083167.db2.gz GFMMCAREXFVKBM-GFCCVEGCSA-N -1 3 342.395 3.140 10 30 EGEEHM Cn1cc2c(n1)CCC[C@H]2C(=O)N([O-])CCCCc1ccccc1 ZINC001119616083 1371376085 /nfs/dbraw/zinc/37/60/85/1371376085.db2.gz CAJACHIKPFQUDB-MRXNPFEDSA-N -1 3 327.428 3.081 10 30 EGEEHM CCOc1cccc(CC(=O)N([O-])CCCCc2ccccc2)n1 ZINC001161818997 1382519433 /nfs/dbraw/zinc/51/94/33/1382519433.db2.gz KMHXELJLXRCBSO-UHFFFAOYSA-N -1 3 328.412 3.264 10 30 EGEEHM O=C(c1c[nH]cc(Cl)c1=O)N([O-])Cc1cccc2ccccc21 ZINC001161843037 1382526792 /nfs/dbraw/zinc/52/67/92/1382526792.db2.gz XZNAGBPWZAFQRS-UHFFFAOYSA-N -1 3 328.755 3.213 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001297573662 1383187622 /nfs/dbraw/zinc/18/76/22/1383187622.db2.gz CFBUGRHFYGEORO-VBKZILBWSA-N -1 3 344.455 3.009 10 30 EGEEHM CSc1nc([O-])c(C(=O)N(C)c2cccc3cc[nH]c32)cc1C#N ZINC001170663124 1384358869 /nfs/dbraw/zinc/35/88/69/1384358869.db2.gz SCZKJWNBWCDDLU-UHFFFAOYSA-N -1 3 338.392 3.139 10 30 EGEEHM C=C(C)CCC(=O)N1CC=C(CCNC(=O)c2ccccc2[O-])CC1 ZINC001340291386 1390265957 /nfs/dbraw/zinc/26/59/57/1390265957.db2.gz ZRCWNKVZNBVOBL-UHFFFAOYSA-N -1 3 342.439 3.027 10 30 EGEEHM C=CCO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001334358841 1390524671 /nfs/dbraw/zinc/52/46/71/1390524671.db2.gz KRNSFVCEOIQFEO-LBPRGKRZSA-N -1 3 330.197 3.071 10 30 EGEEHM C=CCCCC(=O)N(CCC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001704464087 1416543095 /nfs/dbraw/zinc/54/30/95/1416543095.db2.gz WDUYAVYOPOAMAP-MRXNPFEDSA-N -1 3 344.455 3.202 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001725933507 1426629414 /nfs/dbraw/zinc/62/94/14/1426629414.db2.gz MYGALSMCLDISRO-FQEVSTJZSA-N -1 3 346.471 3.209 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCNC(=O)c1ccccc1[O-] ZINC001735084877 1438378942 /nfs/dbraw/zinc/37/89/42/1438378942.db2.gz SFDXXAWRKLFIIS-KUHUBIRLSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])CC[C@H]1C ZINC001739185704 1439291949 /nfs/dbraw/zinc/29/19/49/1439291949.db2.gz ASEUEYLCGZYEJY-CABCVRRESA-N -1 3 344.455 3.104 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001746215379 1439880847 /nfs/dbraw/zinc/88/08/47/1439880847.db2.gz KBFVJLMZOXKLTJ-HNNXBMFYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001759384944 1441274768 /nfs/dbraw/zinc/27/47/68/1441274768.db2.gz MIIJAYBDDJCVPW-HXUWFJFHSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2OC2CCC2)s1 ZINC000435426775 268258408 /nfs/dbraw/zinc/25/84/08/268258408.db2.gz JPVQYLXTQZEALH-UHFFFAOYSA-N -1 3 348.449 3.030 10 30 EGEEHM COc1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1F ZINC000349415791 324023391 /nfs/dbraw/zinc/02/33/91/324023391.db2.gz OOTWTFZNSDTGHN-UHFFFAOYSA-N -1 3 340.763 3.160 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1cc(-c3cccnc3)on1)CCCC2 ZINC000182664633 455562641 /nfs/dbraw/zinc/56/26/41/455562641.db2.gz LOCVBJYXXMBWQL-UHFFFAOYSA-N -1 3 345.362 3.134 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000293133355 455775724 /nfs/dbraw/zinc/77/57/24/455775724.db2.gz JEZZNYPUYQIKRB-LBPRGKRZSA-N -1 3 342.773 3.163 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000293483161 455787873 /nfs/dbraw/zinc/78/78/73/455787873.db2.gz TWUUEGLANNJXHG-SNVBAGLBSA-N -1 3 337.326 3.134 10 30 EGEEHM N#C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC000344450406 456828754 /nfs/dbraw/zinc/82/87/54/456828754.db2.gz IEZQZLGMBHPOKV-MRXNPFEDSA-N -1 3 330.334 3.374 10 30 EGEEHM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nccc2ccccc21 ZINC000361529608 457773494 /nfs/dbraw/zinc/77/34/94/457773494.db2.gz FSIYWDQYYXCMAP-INIZCTEOSA-N -1 3 330.347 3.215 10 30 EGEEHM N#CC(=C([O-])c1cccc(-n2ccnn2)c1)c1nccc2ccccc21 ZINC000361538669 457779739 /nfs/dbraw/zinc/77/97/39/457779739.db2.gz CZLVCDXZKPFYBN-SFHVURJKSA-N -1 3 339.358 3.306 10 30 EGEEHM CC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CCC1 ZINC000427273194 457969797 /nfs/dbraw/zinc/96/97/97/457969797.db2.gz FGKNNKJNFDQLSL-UHFFFAOYSA-N -1 3 332.347 3.046 10 30 EGEEHM N#Cc1csc(CN[C@@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417577799 458365428 /nfs/dbraw/zinc/36/54/28/458365428.db2.gz MLCKHWYLVVXGOZ-ZJZJNUNYSA-N -1 3 345.468 3.164 10 30 EGEEHM N#C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Br)cc1 ZINC000436755933 458376260 /nfs/dbraw/zinc/37/62/60/458376260.db2.gz BCWGLLLMSAPCTG-ZDUSSCGKSA-N -1 3 331.169 3.149 10 30 EGEEHM Cn1c(C(C#N)=C([O-])c2cccc3nccnc32)nc2ccccc21 ZINC000516514365 458818516 /nfs/dbraw/zinc/81/85/16/458818516.db2.gz REYUITMVISYKEU-ZDUSSCGKSA-N -1 3 327.347 3.007 10 30 EGEEHM Cc1ccc2oc(C[N-]S(=O)(=O)CC3(C#N)CCCC3)cc2c1 ZINC000594848728 459162848 /nfs/dbraw/zinc/16/28/48/459162848.db2.gz TWXOUCRDGYLGGN-UHFFFAOYSA-N -1 3 332.425 3.245 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCC2)s1 ZINC000592070844 459520105 /nfs/dbraw/zinc/52/01/05/459520105.db2.gz ZWYNIVIAJZKYDC-UHFFFAOYSA-N -1 3 336.413 3.117 10 30 EGEEHM Cc1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1[O-] ZINC000598250448 459840501 /nfs/dbraw/zinc/84/05/01/459840501.db2.gz CKXMURHXNCPSQW-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM COC(=O)c1cc(C(=O)[N-]c2sc3c(c2C#N)CCCC3)c(C)o1 ZINC000598800935 460039203 /nfs/dbraw/zinc/03/92/03/460039203.db2.gz VRRBNJGAMWNISR-UHFFFAOYSA-N -1 3 344.392 3.439 10 30 EGEEHM N#CC1(CS(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)CCCCC1 ZINC000601540571 460827768 /nfs/dbraw/zinc/82/77/68/460827768.db2.gz UTEMMFDIAUEZOG-OAHLLOKOSA-N -1 3 342.411 3.230 10 30 EGEEHM CN(C(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000634197751 461468419 /nfs/dbraw/zinc/46/84/19/461468419.db2.gz LQZLTFZGUANIIN-MJGOQNOKSA-N -1 3 348.402 3.387 10 30 EGEEHM CC(=O)Nc1ccc([O-])c(C(C)=NNCCCc2ccccc2)c1 ZINC000729145896 574818433 /nfs/dbraw/zinc/81/84/33/574818433.db2.gz GIAXPVWNMMTZKX-UHFFFAOYSA-N -1 3 325.412 3.297 10 30 EGEEHM CCOc1ccc(/C=N\[C@@H]2CCCN(c3ccccc3)C2=O)c([O-])c1 ZINC000733904601 575408386 /nfs/dbraw/zinc/40/83/86/575408386.db2.gz YPXWGYAQXFQKOZ-MKYLKIGJSA-N -1 3 338.407 3.405 10 30 EGEEHM Cc1ncc(CO)c(/C=N/Cc2ccc(-c3cccnc3)cc2)c1[O-] ZINC000743045614 576800643 /nfs/dbraw/zinc/80/06/43/576800643.db2.gz QNOVMFIZGHEQKA-WSDLNYQXSA-N -1 3 333.391 3.269 10 30 EGEEHM N#Cc1cccc(O[N-]C(=O)CCC(=O)c2ccc3c(c2)CCC3)c1 ZINC000870693605 1296023922 /nfs/dbraw/zinc/02/39/22/1296023922.db2.gz NQGCSQRBEWKSAY-UHFFFAOYSA-N -1 3 334.375 3.120 10 30 EGEEHM CC[C@@H](NCc1nc2c(s1)COCC2)c1cccc(C#N)c1[O-] ZINC000927114753 1327873970 /nfs/dbraw/zinc/87/39/70/1327873970.db2.gz IKEPEMYVYOWQON-CYBMUJFWSA-N -1 3 329.425 3.034 10 30 EGEEHM C#C[C@H]([N-]S(=O)(=O)c1cc(Cl)cnc1Cl)c1ccccc1 ZINC001191746997 1367575634 /nfs/dbraw/zinc/57/56/34/1367575634.db2.gz HIRHDCKVHQGZKQ-LBPRGKRZSA-N -1 3 341.219 3.041 10 30 EGEEHM N#C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(C(F)(F)F)c1 ZINC001144437852 1378732684 /nfs/dbraw/zinc/73/26/84/1378732684.db2.gz KMVMFGJUUGGTSQ-GFCCVEGCSA-N -1 3 336.269 3.111 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001288193802 1381695394 /nfs/dbraw/zinc/69/53/94/1381695394.db2.gz ODFCQEMNGSCBDE-INIZCTEOSA-N -1 3 346.471 3.255 10 30 EGEEHM COC(=O)C12CCC(C(=O)N([O-])CCCCc3ccccc3)(CC1)C2 ZINC001161819206 1382519335 /nfs/dbraw/zinc/51/93/35/1382519335.db2.gz OOYNIPLYQXSRCL-UHFFFAOYSA-N -1 3 345.439 3.351 10 30 EGEEHM CCCCN([O-])C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001306897256 1383916555 /nfs/dbraw/zinc/91/65/55/1383916555.db2.gz GDABCMZDXHHYGX-AWEZNQCLSA-N -1 3 338.835 3.210 10 30 EGEEHM Cc1onc(-c2cccnc2)c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001306898436 1383916798 /nfs/dbraw/zinc/91/67/98/1383916798.db2.gz DOLFEWKTTMEJSW-UHFFFAOYSA-N -1 3 327.315 3.216 10 30 EGEEHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001309579529 1384188030 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C=C(C)C(C)(C)C(=O)NCCCN(C(=O)c1ccccc1[O-])C1CC1 ZINC001720662352 1422761561 /nfs/dbraw/zinc/76/15/61/1422761561.db2.gz NDTLNHSXBQTZFM-UHFFFAOYSA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001720984701 1423004438 /nfs/dbraw/zinc/00/44/38/1423004438.db2.gz QZDMVYWGLODRTM-YWZLYKJASA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)NC[C@@H](NC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735447288 1438490531 /nfs/dbraw/zinc/49/05/31/1438490531.db2.gz HPVFEKSFSFWGIT-MRXNPFEDSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCCC1(C(=O)N[C@@H](CNC(=O)c2ccccc2[O-])C(C)C)CC1 ZINC001746786633 1439941929 /nfs/dbraw/zinc/94/19/29/1439941929.db2.gz FVEXHCGRDQWBFF-INIZCTEOSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001759572022 1441311805 /nfs/dbraw/zinc/31/18/05/1441311805.db2.gz WCTJPQBKRAJRMR-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001759589867 1441314300 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ZINC000095457352 454215152 /nfs/dbraw/zinc/21/51/52/454215152.db2.gz HBGVQXGTHOGRIA-UHFFFAOYSA-N -1 3 338.367 3.071 10 30 EGEEHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1ccc(F)cn1 ZINC000097047365 454395716 /nfs/dbraw/zinc/39/57/16/454395716.db2.gz UEHIHZVFOJZPJG-HNNXBMFYSA-N -1 3 337.358 3.345 10 30 EGEEHM Cc1nc2c(cnn2C(C)C)cc1C([O-])=C(C#N)c1ccc(F)cn1 ZINC000097047366 454396285 /nfs/dbraw/zinc/39/62/85/454396285.db2.gz UEHIHZVFOJZPJG-OAHLLOKOSA-N -1 3 337.358 3.345 10 30 EGEEHM O=S(=O)(Cc1ccc(F)cc1)[N-]N=C1C2CC3CC(C2)CC1C3 ZINC000064925266 454517290 /nfs/dbraw/zinc/51/72/90/454517290.db2.gz PFGLAIJZIGVZRB-UHFFFAOYSA-N -1 3 336.432 3.057 10 30 EGEEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cc2ccccc2o1 ZINC000103152705 454541095 /nfs/dbraw/zinc/54/10/95/454541095.db2.gz YXLLIBNAEZEFLW-NSHDSACASA-N -1 3 344.367 3.483 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SCC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000629162205 460675433 /nfs/dbraw/zinc/67/54/33/460675433.db2.gz UQPUGECSVUUZGJ-NXEZZACHSA-N -1 3 349.378 3.200 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-]Cc1cc(Br)ccc1OC ZINC000293174917 455776522 /nfs/dbraw/zinc/77/65/22/455776522.db2.gz WJRONSJKEWTRSL-UHFFFAOYSA-N -1 3 334.160 3.285 10 30 EGEEHM N#CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000439674380 458738428 /nfs/dbraw/zinc/73/84/28/458738428.db2.gz XGLRBAQRQCZGDJ-INIZCTEOSA-N -1 3 331.375 3.303 10 30 EGEEHM Cc1[n-][nH]c(=NC(=O)[C@@H](C)Oc2ccccc2C#N)c1-c1ccccc1 ZINC000523333327 459290096 /nfs/dbraw/zinc/29/00/96/459290096.db2.gz QPESFCNLHFMIAL-CQSZACIVSA-N -1 3 346.390 3.085 10 30 EGEEHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000538283144 459371174 /nfs/dbraw/zinc/37/11/74/459371174.db2.gz QONVVNAJTOTNHK-NSHDSACASA-N -1 3 345.848 3.150 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)c(F)c1 ZINC000569544159 459466883 /nfs/dbraw/zinc/46/68/83/459466883.db2.gz QRECTJNYVRNMAQ-UHFFFAOYSA-N -1 3 348.374 3.192 10 30 EGEEHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 ZINC000594402183 460207266 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C=C(C)CCC(=O)N1CCC(C)(CNC(=O)c2ccccc2[O-])CC1 ZINC001286141653 1380873059 /nfs/dbraw/zinc/87/30/59/1380873059.db2.gz ORTJEVWZIQCWPY-UHFFFAOYSA-N -1 3 344.455 3.107 10 30 EGEEHM O=C([C@H]1Cc2ccccc2C(=O)O1)N([O-])CCCCc1ccccc1 ZINC001161807900 1382513217 /nfs/dbraw/zinc/51/32/17/1382513217.db2.gz QUJYVKJRWZKFKM-GOSISDBHSA-N -1 3 339.391 3.009 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N[C@@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001297573664 1383187594 /nfs/dbraw/zinc/18/75/94/1383187594.db2.gz CFBUGRHFYGEORO-XOBRGWDASA-N -1 3 344.455 3.009 10 30 EGEEHM CCCCN([O-])C(=O)c1cnnn1-c1c(Cl)cccc1Cl ZINC001306897253 1383916700 /nfs/dbraw/zinc/91/67/00/1383916700.db2.gz FZSISIHRBRBOME-UHFFFAOYSA-N -1 3 329.187 3.206 10 30 EGEEHM Cc1ccc(-c2nc(NC(=O)Cc3c(C)cc(C#N)cc3C)n[n-]2)o1 ZINC001182931289 1387248178 /nfs/dbraw/zinc/24/81/78/1387248178.db2.gz MNINZINUYBTGSI-UHFFFAOYSA-N -1 3 335.367 3.043 10 30 EGEEHM C=C[C@](C)(CC)C(=O)N(C)CC(C)(C)CNC(=O)c1ccccc1[O-] ZINC001701160466 1414830564 /nfs/dbraw/zinc/83/05/64/1414830564.db2.gz LQTVDERKVVPAFV-HXUWFJFHSA-N -1 3 346.471 3.209 10 30 EGEEHM C=CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC001701264822 1414936952 /nfs/dbraw/zinc/93/69/52/1414936952.db2.gz NCHXSEGHCRUIAU-UHFFFAOYSA-N -1 3 344.455 3.297 10 30 EGEEHM C=C(C)C(C)(C)C(=O)NC[C@](C)(NC(=O)c1ccccc1[O-])C1CC1 ZINC001704707790 1416690539 /nfs/dbraw/zinc/69/05/39/1416690539.db2.gz JGIOTXWFWAVLIM-FQEVSTJZSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001720984700 1423004240 /nfs/dbraw/zinc/00/42/40/1423004240.db2.gz QZDMVYWGLODRTM-QRWLVFNGSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CC(C)(C)CC(=O)N[C@H]1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001726188573 1426929858 /nfs/dbraw/zinc/92/98/58/1426929858.db2.gz AATDPVRONAEWLQ-GJZGRUSLSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C[C@H](C)[C@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001759415280 1441281373 /nfs/dbraw/zinc/28/13/73/1441281373.db2.gz ZUKJBYUUCGMNFI-VGWMRTNUSA-N -1 3 344.455 3.008 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1[O-] ZINC001759776775 1441323356 /nfs/dbraw/zinc/32/33/56/1441323356.db2.gz VKLOLGZPWDVBOX-GOEBONIOSA-N -1 3 344.455 3.009 10 30 EGEEHM CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000063667682 214764961 /nfs/dbraw/zinc/76/49/61/214764961.db2.gz DKMKBTZTUBDNFE-UHFFFAOYSA-N -1 3 345.402 3.451 10 30 EGEEHM Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C#N ZINC000336848227 154217744 /nfs/dbraw/zinc/21/77/44/154217744.db2.gz IGUYFZIVWAJQSG-UHFFFAOYSA-N -1 3 342.207 3.369 10 30 EGEEHM COc1ccc(-c2nnc([N-]C(=O)c3cscc3C#N)s2)cc1 ZINC000344355233 164163082 /nfs/dbraw/zinc/16/30/82/164163082.db2.gz AYMRTGZKDVKGLH-UHFFFAOYSA-N -1 3 342.405 3.399 10 30 EGEEHM COc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1F ZINC000345730233 164253911 /nfs/dbraw/zinc/25/39/11/164253911.db2.gz YBRJRIXFGQKMMS-UHFFFAOYSA-N -1 3 340.763 3.160 10 30 EGEEHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)C(F)(F)F ZINC000548980317 315066666 /nfs/dbraw/zinc/06/66/66/315066666.db2.gz WUIIRXMVKNVJFH-UHFFFAOYSA-N -1 3 340.754 3.078 10 30 EGEEHM CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000174877791 323311761 /nfs/dbraw/zinc/31/17/61/323311761.db2.gz WMZDSRPRKKMFMR-KRWDZBQOSA-N -1 3 328.343 3.445 10 30 EGEEHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(C)cc1[O-] ZINC000130174737 454178781 /nfs/dbraw/zinc/17/87/81/454178781.db2.gz FVJOAHQVBJYUFV-UHFFFAOYSA-N -1 3 326.352 3.437 10 30 EGEEHM Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000160823218 455502842 /nfs/dbraw/zinc/50/28/42/455502842.db2.gz NJLAZSAMHINUDO-VIFPVBQESA-N -1 3 341.845 3.016 10 30 EGEEHM [O-]c1ccc(Br)cc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000252477576 455806815 /nfs/dbraw/zinc/80/68/15/455806815.db2.gz QVZBZEXZDHJZAW-UHFFFAOYSA-N -1 3 331.173 3.477 10 30 EGEEHM [O-]c1ccc(Br)cc1C=NNc1nc2ccccc2[nH]1 ZINC000252477576 455806821 /nfs/dbraw/zinc/80/68/21/455806821.db2.gz QVZBZEXZDHJZAW-UHFFFAOYSA-N -1 3 331.173 3.477 10 30 EGEEHM Cc1cc(F)cc2c1[n-]cc(C(=O)N[C@H]1CC[C@@H](CC#N)C1)c2=O ZINC000295515734 455851237 /nfs/dbraw/zinc/85/12/37/455851237.db2.gz HYNTXECZNQQBFP-AAEUAGOBSA-N -1 3 327.359 3.200 10 30 EGEEHM CCN(CC)S(=O)(=O)c1ccc(N=Cc2ccccc2[O-])cc1 ZINC000257352344 455897283 /nfs/dbraw/zinc/89/72/83/455897283.db2.gz KQGNTABONCUROV-UHFFFAOYSA-N -1 3 332.425 3.173 10 30 EGEEHM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000427786218 458034924 /nfs/dbraw/zinc/03/49/24/458034924.db2.gz FZNZCOKEISUCKD-UHFFFAOYSA-N -1 3 335.816 3.333 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2[nH]cnc2cc1F ZINC000436696589 458362239 /nfs/dbraw/zinc/36/22/39/458362239.db2.gz JDJMUUSOMKZLOL-NSHDSACASA-N -1 3 333.326 3.079 10 30 EGEEHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cc2nc[nH]c2cc1F ZINC000436696589 458362240 /nfs/dbraw/zinc/36/22/40/458362240.db2.gz JDJMUUSOMKZLOL-NSHDSACASA-N -1 3 333.326 3.079 10 30 EGEEHM Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)c([O-])c1 ZINC000436756321 458375692 /nfs/dbraw/zinc/37/56/92/458375692.db2.gz BYUIXMSSKYDJOJ-CQSZACIVSA-N -1 3 345.196 3.458 10 30 EGEEHM CCOc1cc(CNCC(C)(C)C#N)cc(Br)c1[O-] ZINC000459476109 458385764 /nfs/dbraw/zinc/38/57/64/458385764.db2.gz FEGHDZUJAROAKW-UHFFFAOYSA-N -1 3 327.222 3.193 10 30 EGEEHM CC(C)(C)n1cc(C#N)c2c1nc(N)c(C#N)c2-c1ccc([O-])cc1 ZINC000584661502 459779640 /nfs/dbraw/zinc/77/96/40/459779640.db2.gz CSVVMBWDDNQHMN-UHFFFAOYSA-N -1 3 331.379 3.320 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000593529755 459916721 /nfs/dbraw/zinc/91/67/21/459916721.db2.gz FJGDJSHWDBPFQU-UHFFFAOYSA-N -1 3 332.450 3.020 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]Cc1ccccc1OC1CCC1 ZINC000593547481 459921083 /nfs/dbraw/zinc/92/10/83/459921083.db2.gz QTVIXAIEXLXPQX-UHFFFAOYSA-N -1 3 348.449 3.030 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000593621221 459935420 /nfs/dbraw/zinc/93/54/20/459935420.db2.gz PWSMKXPSFJHIQJ-UHFFFAOYSA-N -1 3 333.240 3.356 10 30 EGEEHM C[C@]1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCN1Cc1ccccc1 ZINC000589208131 460054891 /nfs/dbraw/zinc/05/48/91/460054891.db2.gz SHHMTYPHYFRGAM-OAQYLSRUSA-N -1 3 349.434 3.048 10 30 EGEEHM Cc1cccc([O-])c1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 ZINC000600097013 460381198 /nfs/dbraw/zinc/38/11/98/460381198.db2.gz CYVDWPYIIZZESR-UHFFFAOYSA-N -1 3 336.391 3.008 10 30 EGEEHM C=CCCC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000633965687 461360927 /nfs/dbraw/zinc/36/09/27/461360927.db2.gz ZKENTHMZEGLSGL-MRXNPFEDSA-N -1 3 344.455 3.105 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1[C@@H](C)CCC[C@@H]1C ZINC000169982302 564104042 /nfs/dbraw/zinc/10/40/42/564104042.db2.gz YZFDQWPDMUUBNQ-STQMWFEESA-N -1 3 343.471 3.079 10 30 EGEEHM COc1cccc([O-])c1/C=N/[C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000730146625 574925697 /nfs/dbraw/zinc/92/56/97/574925697.db2.gz CIKGPFMPFVNTAK-HMHKGCENSA-N -1 3 329.396 3.468 10 30 EGEEHM Cc1ncc(CO)c(/C=N/[C@H](C)c2ccc(C(F)(F)F)nc2)c1[O-] ZINC000871597215 1296447051 /nfs/dbraw/zinc/44/70/51/1296447051.db2.gz MOWPJJPRORVNTG-MCTRZUOISA-N -1 3 339.317 3.182 10 30 EGEEHM C=CCCC[C@@H](C(=O)N1CCc2nc[n-]c(=O)c2C1)c1ccccc1 ZINC000879261253 1300458081 /nfs/dbraw/zinc/45/80/81/1300458081.db2.gz HKFPDYDHGFSCIH-MRXNPFEDSA-N -1 3 337.423 3.207 10 30 EGEEHM C#CC[C@H]1CCN(C(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C1 ZINC000887243635 1303715541 /nfs/dbraw/zinc/71/55/41/1303715541.db2.gz UDDUDJVPPRQERU-AWEZNQCLSA-N -1 3 336.395 3.035 10 30 EGEEHM C=CCSc1ccccc1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898221807 1310636025 /nfs/dbraw/zinc/63/60/25/1310636025.db2.gz QOPPYWOENJOGBI-GFCCVEGCSA-N -1 3 329.425 3.023 10 30 EGEEHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001190530937 1367286802 /nfs/dbraw/zinc/28/68/02/1367286802.db2.gz HUIVWUOOWXFRGM-ZDUSSCGKSA-N -1 3 328.846 3.030 10 30 EGEEHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1Cc2ccccc2[C@@H]1C ZINC001121607514 1372023276 /nfs/dbraw/zinc/02/32/76/1372023276.db2.gz NIQOJVGAZLBABD-LBPRGKRZSA-N -1 3 348.410 3.016 10 30 EGEEHM C#CCSCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001136872858 1377433472 /nfs/dbraw/zinc/43/34/72/1377433472.db2.gz GHGBPJAWWLXNOK-UHFFFAOYSA-N -1 3 339.460 3.274 10 30 EGEEHM C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC001136934719 1377443082 /nfs/dbraw/zinc/44/30/82/1377443082.db2.gz QTDBMAXFBNPOBG-MLCYQJTMSA-N -1 3 345.349 3.009 10 30 EGEEHM C=CC(C)(C)C(=O)NC[C@H](CCCC)NC(=O)c1ccccc1[O-] ZINC001286065845 1380761496 /nfs/dbraw/zinc/76/14/96/1380761496.db2.gz NXLUKFBCCZGQEZ-AWEZNQCLSA-N -1 3 332.444 3.009 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@](C)(Cc1ccc(Cl)cc1)C(=O)OC ZINC001287354545 1381183600 /nfs/dbraw/zinc/18/36/00/1381183600.db2.gz OLPZMKZLCUOKPL-OAHLLOKOSA-N -1 3 345.773 3.142 10 30 EGEEHM O=C([C@H]1CC(=O)N(C2CCCC2)C1)N([O-])CCCCc1ccccc1 ZINC001161807791 1382513304 /nfs/dbraw/zinc/51/33/04/1382513304.db2.gz OFMVPGONRGJLMX-KRWDZBQOSA-N -1 3 344.455 3.018 10 30 EGEEHM CCOC(=O)c1ncc(C(=O)N([O-])Cc2ccccc2Cl)s1 ZINC001306894908 1383916166 /nfs/dbraw/zinc/91/61/66/1383916166.db2.gz SISGCLJFPPSMRM-UHFFFAOYSA-N -1 3 340.788 3.005 10 30 EGEEHM O=C(Cc1cn2cc(F)ccc2n1)N([O-])Cc1ccccc1Cl ZINC001306895302 1383916323 /nfs/dbraw/zinc/91/63/23/1383916323.db2.gz XQUIHUBZJOOYPG-UHFFFAOYSA-N -1 3 333.750 3.087 10 30 EGEEHM O=C([C@H]1CCN(c2ccccc2F)C1)N([O-])Cc1ccc(F)cc1 ZINC001306898795 1383916497 /nfs/dbraw/zinc/91/64/97/1383916497.db2.gz QRWYXGKQNWJTHF-AWEZNQCLSA-N -1 3 332.350 3.209 10 30 EGEEHM C=CCn1c(=O)[n-]nc1SC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001307318485 1383970931 /nfs/dbraw/zinc/97/09/31/1383970931.db2.gz JEFADIDWYZXLRY-LLVKDONJSA-N -1 3 346.239 3.302 10 30 EGEEHM C=C1CCC(C(=O)N[C@H](C)C[C@H](C)NC(=O)c2ccccc2[O-])CC1 ZINC001339782525 1390143688 /nfs/dbraw/zinc/14/36/88/1390143688.db2.gz OLGKDAHOJNEZEA-CABCVRRESA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](C2CCC2)C1 ZINC001342186470 1390583144 /nfs/dbraw/zinc/58/31/44/1390583144.db2.gz BLQFOOGOPKCMQP-AWEZNQCLSA-N -1 3 343.431 3.231 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001342542926 1390624623 /nfs/dbraw/zinc/62/46/23/1390624623.db2.gz QTFBNMNQFKJXBO-RYUDHWBXSA-N -1 3 347.854 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]2CCC[C@@H]21 ZINC001342542926 1390624626 /nfs/dbraw/zinc/62/46/26/1390624626.db2.gz QTFBNMNQFKJXBO-RYUDHWBXSA-N -1 3 347.854 3.062 10 30 EGEEHM CCn1ccnc1C(C#N)=C([O-])C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001346097228 1390907223 /nfs/dbraw/zinc/90/72/23/1390907223.db2.gz ZQVKOWNKUSRYJX-CJNGLKHVSA-N -1 3 343.333 3.189 10 30 EGEEHM C=C(C)CCC(=O)NC[C@@H](CC(C)C)NC(=O)c1ccccc1[O-] ZINC001759458871 1441288811 /nfs/dbraw/zinc/28/88/11/1441288811.db2.gz FDEIXMXVBYZMAC-OAHLLOKOSA-N -1 3 332.444 3.009 10 30 EGEEHM Cn1c(C(C#N)=C([O-])c2ccc3c(c2)COC3)nnc1-c1ccccc1 ZINC000050206741 214051125 /nfs/dbraw/zinc/05/11/25/214051125.db2.gz CKWYFMBLQVROQD-QGZVFWFLSA-N -1 3 344.374 3.002 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2)c(Cl)c1 ZINC000316939745 154158006 /nfs/dbraw/zinc/15/80/06/154158006.db2.gz BBVRERLZWUTENS-ZFWWWQNUSA-N -1 3 332.812 3.046 10 30 EGEEHM N#Cc1cc(NCCCNC(=O)c2cccc([O-])c2)c2ccccc2n1 ZINC000301444523 270044083 /nfs/dbraw/zinc/04/40/83/270044083.db2.gz YWRNXKGONRWAQM-UHFFFAOYSA-N -1 3 346.390 3.044 10 30 EGEEHM CC(=O)c1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000447514615 270052885 /nfs/dbraw/zinc/05/28/85/270052885.db2.gz GMPBYHIQWPUUSP-UHFFFAOYSA-N -1 3 338.348 3.125 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C/C=C/c1ccccc1 ZINC000479911611 268182045 /nfs/dbraw/zinc/18/20/45/268182045.db2.gz FRUUZUREBSWKMT-QPJJXVBHSA-N -1 3 332.812 3.203 10 30 EGEEHM Cc1nsc([N-]C(=O)c2sc([C@@H]3CCCOC3)nc2C)c1C#N ZINC000579446096 325110710 /nfs/dbraw/zinc/11/07/10/325110710.db2.gz VASKTXFWAMQSEF-SNVBAGLBSA-N -1 3 348.453 3.234 10 30 EGEEHM C[C@H]([N-]C(=O)[C@](F)(NC(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000025425918 453772124 /nfs/dbraw/zinc/77/21/24/453772124.db2.gz WGNUDVQAHOGFJX-XVKPBYJWSA-N -1 3 332.219 3.201 10 30 EGEEHM CN(Cc1ccc(C#N)cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000046527620 454260315 /nfs/dbraw/zinc/26/03/15/454260315.db2.gz WYDQUNSJGFWMBH-UHFFFAOYSA-N -1 3 344.374 3.173 10 30 EGEEHM Cn1cc([C@@H]2CC(c3cccc([O-])c3)=NN2c2cccc(C#N)c2)cn1 ZINC000048326428 454474075 /nfs/dbraw/zinc/47/40/75/454474075.db2.gz RHRAYHPGFTYJCJ-FQEVSTJZSA-N -1 3 343.390 3.353 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000144057613 454846534 /nfs/dbraw/zinc/84/65/34/454846534.db2.gz YFSRLALDLSBXSY-OAHLLOKOSA-N -1 3 343.471 3.223 10 30 EGEEHM O=C([N-][C@@H](c1cccc(F)c1F)C(F)(F)F)NCC(F)(F)F ZINC000182359676 455496852 /nfs/dbraw/zinc/49/68/52/455496852.db2.gz NBBYCRCOLNAIJY-QMMMGPOBSA-N -1 3 336.182 3.430 10 30 EGEEHM N#CCCN(Cc1ccccn1)C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000271220753 456180402 /nfs/dbraw/zinc/18/04/02/456180402.db2.gz CQFIKBWPMXHNFN-UHFFFAOYSA-N -1 3 335.407 3.222 10 30 EGEEHM C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ncccc1[O-] ZINC000348782961 456854974 /nfs/dbraw/zinc/85/49/74/456854974.db2.gz VPJNGQFTOZBLHM-GFCCVEGCSA-N -1 3 342.424 3.361 10 30 EGEEHM C=CCOc1ccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)cc1 ZINC000359057751 457049507 /nfs/dbraw/zinc/04/95/07/457049507.db2.gz FOENSXCPLHMQKV-UHFFFAOYSA-N -1 3 334.375 3.023 10 30 EGEEHM CC(C)n1cc(C(=O)[N-]c2sc3c(c2C#N)CCCCC3)nn1 ZINC000459858165 458487881 /nfs/dbraw/zinc/48/78/81/458487881.db2.gz VQBHSUBUSPHYND-UHFFFAOYSA-N -1 3 329.429 3.313 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)c1 ZINC000493894025 458595907 /nfs/dbraw/zinc/59/59/07/458595907.db2.gz KUMHMLKTGJGIAJ-UHFFFAOYSA-N -1 3 332.425 3.118 10 30 EGEEHM N#CC1(NC(=O)Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000477621571 459051613 /nfs/dbraw/zinc/05/16/13/459051613.db2.gz ZHSPEKCDLOVLDQ-UHFFFAOYSA-N -1 3 337.217 3.040 10 30 EGEEHM Cn1ncc2cc(C([O-])=C(C#N)c3nccc4ccccc43)cnc21 ZINC000562317885 459537570 /nfs/dbraw/zinc/53/75/70/459537570.db2.gz QBCFMQQCKUJFLG-MRXNPFEDSA-N -1 3 327.347 3.007 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CC2CCC1CC2 ZINC000584114920 459658263 /nfs/dbraw/zinc/65/82/63/459658263.db2.gz QTCQSJIAUVRXIW-GPANFISMSA-N -1 3 341.455 3.151 10 30 EGEEHM Cc1c(C(C)C)[n-][nH]c1=NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000592949570 459723148 /nfs/dbraw/zinc/72/31/48/459723148.db2.gz JOUQZNQNFTXELS-UHFFFAOYSA-N -1 3 328.391 3.191 10 30 EGEEHM N#CC1(C[N-]S(=O)(=O)Cc2ccc(Cl)cc2Cl)CCCC1 ZINC000593621738 459935735 /nfs/dbraw/zinc/93/57/35/459935735.db2.gz ZQAVNFBELFKWQX-UHFFFAOYSA-N -1 3 347.267 3.497 10 30 EGEEHM C[C@@]1(CNC(=O)c2cc([O-])cc(C#N)c2)CCCN1Cc1ccccc1 ZINC000589208130 460054732 /nfs/dbraw/zinc/05/47/32/460054732.db2.gz SHHMTYPHYFRGAM-NRFANRHFSA-N -1 3 349.434 3.048 10 30 EGEEHM C=CC(C)(C)CC[N-]S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000599360652 460238631 /nfs/dbraw/zinc/23/86/31/460238631.db2.gz OAGLZWWLPDWPAX-UHFFFAOYSA-N -1 3 349.412 3.024 10 30 EGEEHM CCSCc1cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)no1 ZINC000187110940 529198029 /nfs/dbraw/zinc/19/80/29/529198029.db2.gz WJWNTODZDXTOPN-UHFFFAOYSA-N -1 3 342.424 3.325 10 30 EGEEHM CCN=c1scc(-c2ccc(O)cc2[O-])n1N=Cc1ccco1 ZINC000254556039 1296473550 /nfs/dbraw/zinc/47/35/50/1296473550.db2.gz XYIWVKPSHMKGHJ-UHFFFAOYSA-N -1 3 329.381 3.024 10 30 EGEEHM COc1cc(C(=O)Nc2ccc(C3CC3)c(C#N)c2)cc(OC)c1[O-] ZINC000882311954 1301916885 /nfs/dbraw/zinc/91/68/85/1301916885.db2.gz GTBCEQZDHVEXRJ-UHFFFAOYSA-N -1 3 338.363 3.411 10 30 EGEEHM Cc1ncc(CO)c(/C=N\C[C@@H]2CC=CC[C@H]2C(F)(F)F)c1[O-] ZINC000864348275 1329609142 /nfs/dbraw/zinc/60/91/42/1329609142.db2.gz IFBGKLBEBSSMPA-RYAZFGAPSA-N -1 3 328.334 3.152 10 30 EGEEHM CCCCCCN([O-])C(=O)Cc1csc(NC(=O)C(C)(C)C)n1 ZINC001184305967 1387425000 /nfs/dbraw/zinc/42/50/00/1387425000.db2.gz YQPKPYHOZXSDGE-UHFFFAOYSA-N -1 3 341.477 3.468 10 30 EGEEHM C=CCOc1cccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC001188587204 1388336595 /nfs/dbraw/zinc/33/65/95/1388336595.db2.gz OSIVHKNGBVSNRE-SFHVURJKSA-N -1 3 347.436 3.381 10 30 EGEEHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C(C)C ZINC001272120944 1377657640 /nfs/dbraw/zinc/65/76/40/1377657640.db2.gz SPNBMNZXGQMANS-LBPRGKRZSA-N -1 3 330.172 3.315 10 30 EGEEHM C=CCC[C@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC001154797559 1380353694 /nfs/dbraw/zinc/35/36/94/1380353694.db2.gz YAMLGUXMAIPMIY-KRWDZBQOSA-N -1 3 337.423 3.426 10 30 EGEEHM CCCCN([O-])C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 ZINC001161832755 1382523959 /nfs/dbraw/zinc/52/39/59/1382523959.db2.gz SRLPHBLDBZJUGW-UHFFFAOYSA-N -1 3 335.354 3.271 10 30 EGEEHM C#C[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CCOCC1 ZINC001301133457 1383697498 /nfs/dbraw/zinc/69/74/98/1383697498.db2.gz OWBJXKKCGFTYLO-FQEVSTJZSA-N -1 3 349.430 3.141 10 30 EGEEHM CCCCCCN([O-])C(=O)C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001306896550 1383916684 /nfs/dbraw/zinc/91/66/84/1383916684.db2.gz BNRHFXJUAXBVQZ-CQSZACIVSA-N -1 3 328.453 3.478 10 30 EGEEHM N#CCOc1ccc(CC(=O)N([O-])CCCCc2ccccc2)cc1 ZINC001306896449 1383916907 /nfs/dbraw/zinc/91/69/07/1383916907.db2.gz XLFFQFXPBQTWFT-UHFFFAOYSA-N -1 3 338.407 3.372 10 30 EGEEHM CC(=NNC1CCSCC1)c1ccc(Br)cc1[O-] ZINC001331350848 1389714143 /nfs/dbraw/zinc/71/41/43/1389714143.db2.gz RHZJGHNTABIDEM-UHFFFAOYSA-N -1 3 329.263 3.364 10 30 EGEEHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C2CCC2)CC1 ZINC001343641275 1390728179 /nfs/dbraw/zinc/72/81/79/1390728179.db2.gz RXFRXOGEUWQLTL-UHFFFAOYSA-N -1 3 343.431 3.231 10 30 EGEEHM C=C1CC(C)(C(=O)NCCCCCCNC(=O)c2ccccc2[O-])C1 ZINC001350417424 1391461299 /nfs/dbraw/zinc/46/12/99/1391461299.db2.gz UUQBZTMUTFQVFK-UHFFFAOYSA-N -1 3 344.455 3.155 10 30 EGEEHM C=C[C@H](C)[C@H](C)C(=O)NCC(C)(C)CN(C)C(=O)c1ccccc1[O-] ZINC001701149022 1414812225 /nfs/dbraw/zinc/81/22/25/1414812225.db2.gz APONZYWNZJJLEK-GJZGRUSLSA-N -1 3 346.471 3.065 10 30 EGEEHM C=CC(C)(C)C(=O)N(C)C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001739271600 1439328020 /nfs/dbraw/zinc/32/80/20/1439328020.db2.gz WJPDSLHULYBNCM-OAHLLOKOSA-N -1 3 344.455 3.058 10 30 EGEEHM N#Cc1ccc(CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C2CC2)cc1 ZINC000349676928 164911355 /nfs/dbraw/zinc/91/13/55/164911355.db2.gz MOWNIICUSYTCSQ-UHFFFAOYSA-N -1 3 343.386 3.205 10 30 EGEEHM N#Cc1cccc(CN[C@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417582265 270048125 /nfs/dbraw/zinc/04/81/25/270048125.db2.gz UYNTWYQBLCUAGW-XAPRQVHKSA-N -1 3 339.439 3.103 10 30 EGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000443130689 267195294 /nfs/dbraw/zinc/19/52/94/267195294.db2.gz NRFINZFNSWXYGK-LLVKDONJSA-N -1 3 341.845 3.098 10 30 EGEEHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000443033637 268160118 /nfs/dbraw/zinc/16/01/18/268160118.db2.gz GGLFFVSFIGBYRO-CQSZACIVSA-N -1 3 346.839 3.047 10 30 EGEEHM Cc1oc2ncnc([N-]C(=O)c3c(F)cc(C#N)cc3F)c2c1C ZINC000154891090 307802922 /nfs/dbraw/zinc/80/29/22/307802922.db2.gz KSYSAAZJXDRYLP-UHFFFAOYSA-N -1 3 328.278 3.242 10 30 EGEEHM CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc([O-])c1F ZINC000534945432 314007461 /nfs/dbraw/zinc/00/74/61/314007461.db2.gz RHCCUMVYYFJBQU-QGZVFWFLSA-N -1 3 328.343 3.445 10 30 EGEEHM Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C1 ZINC000545349891 314759056 /nfs/dbraw/zinc/75/90/56/314759056.db2.gz YGELMTNZOHSHIX-JOCQHMNTSA-N -1 3 332.450 3.153 10 30 EGEEHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nccs1 ZINC000159952567 455418644 /nfs/dbraw/zinc/41/86/44/455418644.db2.gz SLFFOCYVFUZVQM-GFCCVEGCSA-N -1 3 341.845 3.098 10 30 EGEEHM CN(C)CCOc1cccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1 ZINC000058268617 454176663 /nfs/dbraw/zinc/17/66/63/454176663.db2.gz BYUSPAIPWIAJRN-DHZHZOJOSA-N -1 3 339.391 3.221 10 30 EGEEHM CCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1F ZINC000162036223 454747102 /nfs/dbraw/zinc/74/71/02/454747102.db2.gz WINJJWTYJCXQBA-UHFFFAOYSA-N -1 3 341.386 3.136 10 30 EGEEHM N#Cc1cc2c(nc1[N-]C(=O)c1ccc(Br)o1)CCCC2 ZINC000182666885 455563582 /nfs/dbraw/zinc/56/35/82/455563582.db2.gz ITRCQBMZTSMKLD-UHFFFAOYSA-N -1 3 346.184 3.440 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000293387012 455784960 /nfs/dbraw/zinc/78/49/60/455784960.db2.gz IXTLBBWXSZNETQ-JTQLQIEISA-N -1 3 337.326 3.134 10 30 EGEEHM [O-]c1c(O)ccc(/C=N/CC2CCN(c3ccccc3)CC2)c1O ZINC000281195242 456160353 /nfs/dbraw/zinc/16/03/53/456160353.db2.gz RNMRYVUESOCTPW-DEDYPNTBSA-N -1 3 326.396 3.139 10 30 EGEEHM CC(C)[C@H]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)C(F)(F)F ZINC000356970831 457249956 /nfs/dbraw/zinc/24/99/56/457249956.db2.gz CJKXYJFERQMEFP-QMMMGPOBSA-N -1 3 345.230 3.294 10 30 EGEEHM CC(C)n1cc(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)nn1 ZINC000340074791 457328873 /nfs/dbraw/zinc/32/88/73/457328873.db2.gz ZRSSRVJXPHBRIO-LBPRGKRZSA-N -1 3 329.429 3.363 10 30 EGEEHM C=CCC1(C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)CCOCC1 ZINC000425239140 457468663 /nfs/dbraw/zinc/46/86/63/457468663.db2.gz SIFCNNUVVPZDBX-UHFFFAOYSA-N -1 3 348.353 3.061 10 30 EGEEHM C=CCC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)CCOCC1 ZINC000425239140 457468669 /nfs/dbraw/zinc/46/86/69/457468669.db2.gz SIFCNNUVVPZDBX-UHFFFAOYSA-N -1 3 348.353 3.061 10 30 EGEEHM C=CCC1(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CCOCC1 ZINC000425239140 457468675 /nfs/dbraw/zinc/46/86/75/457468675.db2.gz SIFCNNUVVPZDBX-UHFFFAOYSA-N -1 3 348.353 3.061 10 30 EGEEHM N#CC(=C([O-])c1cccc(-n2cncn2)c1)c1nccc2ccccc21 ZINC000361520272 457766700 /nfs/dbraw/zinc/76/67/00/457766700.db2.gz SXIISLMQTUJDKO-GOSISDBHSA-N -1 3 339.358 3.306 10 30 EGEEHM N#CC(=C([O-])c1cnc2nccnc2c1)c1nccc2ccccc21 ZINC000361530719 457774289 /nfs/dbraw/zinc/77/42/89/457774289.db2.gz KSUPNWWSEDNNQF-HNNXBMFYSA-N -1 3 325.331 3.063 10 30 EGEEHM C=CCCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000447932971 458366212 /nfs/dbraw/zinc/36/62/12/458366212.db2.gz SAUXQYQAVDMTLW-UHFFFAOYSA-N -1 3 338.654 3.347 10 30 EGEEHM COc1ccc2c(c1)CCC[C@]2(NCc1cc(C#N)cs1)C(=O)[O-] ZINC000417589879 458366894 /nfs/dbraw/zinc/36/68/94/458366894.db2.gz QPHIYJLXZYWBQT-GOSISDBHSA-N -1 3 342.420 3.034 10 30 EGEEHM Cc1cc(NC([O-])=C(C#N)c2nc(-c3ccc(C)cc3)cs2)no1 ZINC000505463194 458744108 /nfs/dbraw/zinc/74/41/08/458744108.db2.gz YUYILTYQNXYNEE-ZDUSSCGKSA-N -1 3 338.392 3.083 10 30 EGEEHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CCC(F)(F)CC1 ZINC000594488496 459058062 /nfs/dbraw/zinc/05/80/62/459058062.db2.gz SAGYDRYTFLVMQE-SECBINFHSA-N -1 3 334.413 3.112 10 30 EGEEHM N#CC1(CC(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)CC1 ZINC000590296602 459109730 /nfs/dbraw/zinc/10/97/30/459109730.db2.gz MURDLNACHQRUHG-UHFFFAOYSA-N -1 3 335.194 3.438 10 30 EGEEHM COc1ccc(/C=N/[C@H](C)C/N=C/c2ccc(OC)cc2O)c([O-])c1 ZINC000584660993 459779721 /nfs/dbraw/zinc/77/97/21/459779721.db2.gz HCAONYGFQTVKNT-ILMSPDFFSA-N -1 3 342.395 3.042 10 30 EGEEHM COc1ccc(/C=N/C[C@@H](C)/N=C/c2ccc(OC)cc2O)c([O-])c1 ZINC000584660993 459779726 /nfs/dbraw/zinc/77/97/26/459779726.db2.gz HCAONYGFQTVKNT-ILMSPDFFSA-N -1 3 342.395 3.042 10 30 EGEEHM CC[C@H](C#N)[N-]C(=O)c1c(F)c(F)c(Br)c(F)c1F ZINC000597043876 459823806 /nfs/dbraw/zinc/82/38/06/459823806.db2.gz PIYGNGXQQDQPCT-SCSAIBSYSA-N -1 3 339.086 3.037 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c(C(F)(F)F)c1 ZINC000601501988 460820887 /nfs/dbraw/zinc/82/08/87/460820887.db2.gz RCRYFBGQLWFYCY-FZMZJTMJSA-N -1 3 344.358 3.188 10 30 EGEEHM COc1cc(C=NNCc2ccc(F)cc2F)cc(Cl)c1[O-] ZINC000727060512 574638675 /nfs/dbraw/zinc/63/86/75/574638675.db2.gz PVJYLLDHYUDXQW-UHFFFAOYSA-N -1 3 326.730 3.456 10 30 EGEEHM C#C[C@H]1CC[C@H](NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)CC1 ZINC000913815304 1319133746 /nfs/dbraw/zinc/13/37/46/1319133746.db2.gz DAOBGFGCKJUJDS-HAQNSBGRSA-N -1 3 349.456 3.412 10 30 EGEEHM CC[C@@H](NCc1cn(C)nc1Br)c1cccc(C#N)c1[O-] ZINC000926882819 1327755128 /nfs/dbraw/zinc/75/51/28/1327755128.db2.gz DUNSHSOHEGOVRH-CYBMUJFWSA-N -1 3 349.232 3.001 10 30 EGEEHM Cc1ncc(CO)c(/C=N\Cc2csc(C(F)(F)F)c2)c1[O-] ZINC000864346162 1329608838 /nfs/dbraw/zinc/60/88/38/1329608838.db2.gz PIYJVEBMDOSUOR-DVZOWYKESA-N -1 3 330.331 3.287 10 30 EGEEHM C=C(C)C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)OC ZINC000864347081 1329609240 /nfs/dbraw/zinc/60/92/40/1329609240.db2.gz JWSXQLPAWKAPLZ-LUMBYOQCSA-N -1 3 326.190 3.081 10 30 EGEEHM O=C(Cc1ccc(-n2ccnc2)cc1)N([O-])Cc1ccccc1Cl ZINC001184293055 1387423562 /nfs/dbraw/zinc/42/35/62/1387423562.db2.gz CMATVSKXVXLVAI-UHFFFAOYSA-N -1 3 341.798 3.486 10 30 EGEEHM C[C@@H](C(=O)N([O-])Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1F ZINC001184348708 1387435955 /nfs/dbraw/zinc/43/59/55/1387435955.db2.gz RIBJTTWHPJTREK-SNVBAGLBSA-N -1 3 336.294 3.395 10 30 EGEEHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC001192461230 1367788195 /nfs/dbraw/zinc/78/81/95/1367788195.db2.gz ZSSMPAOBSXILTO-SMDDNHRTSA-N -1 3 342.392 3.147 10 30 EGEEHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC[C@@H]1CC ZINC001122490798 1372259103 /nfs/dbraw/zinc/25/91/03/1372259103.db2.gz UTOPSRHNDXIWPH-NSHDSACASA-N -1 3 335.843 3.062 10 30 EGEEHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC[C@@H]1CC ZINC001122490798 1372259110 /nfs/dbraw/zinc/25/91/10/1372259110.db2.gz UTOPSRHNDXIWPH-NSHDSACASA-N -1 3 335.843 3.062 10 30 EGEEHM N#CCC[C@H](NC(=O)NCc1c([O-])cccc1F)c1ccccc1 ZINC001230631885 1376108640 /nfs/dbraw/zinc/10/86/40/1376108640.db2.gz ZGFVUNFWWHJMDN-INIZCTEOSA-N -1 3 327.359 3.376 10 30 EGEEHM C=C1CC(C)(C(=O)N[C@H](CNC(=O)c2ccccc2[O-])C(C)(C)C)C1 ZINC001288233851 1381746776 /nfs/dbraw/zinc/74/67/76/1381746776.db2.gz ZZKWYGDBQDCIMR-MRXNPFEDSA-N -1 3 344.455 3.009 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 ZINC001161819026 1382519424 /nfs/dbraw/zinc/51/94/24/1382519424.db2.gz LPBLCOZHALHTHO-INIZCTEOSA-N -1 3 332.444 3.454 10 30 EGEEHM C=C(C)CCC(=O)N1CCC[C@@](C)(CNC(=O)c2ccccc2[O-])C1 ZINC001299681751 1383611318 /nfs/dbraw/zinc/61/13/18/1383611318.db2.gz CYPIAKIFVOSOCU-FQEVSTJZSA-N -1 3 344.455 3.107 10 30 EGEEHM N#CCc1ccc(CNC(=O)c2cc([O-])cc(Br)c2)cc1 ZINC001299898185 1383634371 /nfs/dbraw/zinc/63/43/71/1383634371.db2.gz TTYMFDTVTYZIIQ-UHFFFAOYSA-N -1 3 345.196 3.151 10 30 EGEEHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001309460503 1384182910 /nfs/dbraw/zinc/18/29/10/1384182910.db2.gz STNCIUIHAJTIAR-VIFPVBQESA-N -1 3 328.846 3.030 10 30 EGEEHM CCCCCCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001350448955 1391466515 /nfs/dbraw/zinc/46/65/15/1391466515.db2.gz VXLCDLRVYGWBPP-MRXNPFEDSA-N -1 3 346.471 3.474 10 30 EGEEHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001351790740 1391690280 /nfs/dbraw/zinc/69/02/80/1391690280.db2.gz VMLZAXFWJVTXPU-SFHVURJKSA-N -1 3 341.415 3.151 10 30 EGEEHM C=CCCCC(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001688088405 1396713871 /nfs/dbraw/zinc/71/38/71/1396713871.db2.gz YMDLVRBEGGHWPM-HZPDHXFCSA-N -1 3 344.455 3.105 10 30 EGEEHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1CC ZINC001689498404 1403817156 /nfs/dbraw/zinc/81/71/56/1403817156.db2.gz VAOHRQAXTKDIBN-WBVHZDCISA-N -1 3 344.455 3.105 10 30 EGEEHM C=C[C@H](CC)CC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1CC ZINC001719533968 1422405190 /nfs/dbraw/zinc/40/51/90/1422405190.db2.gz UYFICFAHXBEENR-HYVNUMGLSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C[C@H](CC)CC(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001735463993 1438500993 /nfs/dbraw/zinc/50/09/93/1438500993.db2.gz UYRPTOXUDLTSEU-RHSMWYFYSA-N -1 3 346.471 3.255 10 30 EGEEHM C=CCC1(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])CCCC1 ZINC001738105705 1438994154 /nfs/dbraw/zinc/99/41/54/1438994154.db2.gz XKRMZHIWGINQJD-OAHLLOKOSA-N -1 3 344.455 3.153 10 30 EGEEHM C=C(C)CCC(=O)N(C)CCN(C(=O)c1ccccc1[O-])C(C)C ZINC001739072850 1439256546 /nfs/dbraw/zinc/25/65/46/1439256546.db2.gz USPDIPLGTMXODW-UHFFFAOYSA-N -1 3 332.444 3.058 10 30 EGEEHM N/C(=N\[O-])c1cccc(OCc2ccc(Br)s2)c1 ZINC000019518360 212037262 /nfs/dbraw/zinc/03/72/62/212037262.db2.gz IJHFXTGCUBAHBM-UHFFFAOYSA-N -1 3 327.203 3.184 10 30 EGEEHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1n[n-]c(-c2cccs2)n1 ZINC000009155155 258053789 /nfs/dbraw/zinc/05/37/89/258053789.db2.gz PTGLAVMBRKPGTG-MEBBXXQBSA-N -1 3 349.485 3.068 10 30 EGEEHM N#Cc1cc(F)c(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c(F)c1 ZINC000121914314 152377888 /nfs/dbraw/zinc/37/78/88/152377888.db2.gz RQSNOIRAMKVXJG-UHFFFAOYSA-N -1 3 338.317 3.234 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000316939743 154158530 /nfs/dbraw/zinc/15/85/30/154158530.db2.gz BBVRERLZWUTENS-UKRRQHHQSA-N -1 3 332.812 3.046 10 30 EGEEHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC(C)(C)C1 ZINC000412849263 270047248 /nfs/dbraw/zinc/04/72/48/270047248.db2.gz ZYOJYYNSFTXUTD-UHFFFAOYSA-N -1 3 329.444 3.245 10 30 EGEEHM N#Cc1cccc(CN[C@@H](CC(=O)[O-])C23CC4CC(CC(C4)C2)C3)n1 ZINC000417582264 270048161 /nfs/dbraw/zinc/04/81/61/270048161.db2.gz UYNTWYQBLCUAGW-ITOSSNOYSA-N -1 3 339.439 3.103 10 30 EGEEHM Cc1cc2c(cc1C)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000285662745 267365721 /nfs/dbraw/zinc/36/57/21/267365721.db2.gz KAYXHJNHTXPYSH-UHFFFAOYSA-N -1 3 349.434 3.414 10 30 EGEEHM Cc1oc2ncnc([N-]C(=O)c3ncc(C#N)cc3Cl)c2c1C ZINC000440709933 268105800 /nfs/dbraw/zinc/10/58/00/268105800.db2.gz DYZNEGNYAKHFAA-UHFFFAOYSA-N -1 3 327.731 3.012 10 30 EGEEHM CN(Cc1cccc(C#N)c1)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000026326551 453796554 /nfs/dbraw/zinc/79/65/54/453796554.db2.gz FEBCGPTVGGNKML-UHFFFAOYSA-N -1 3 344.374 3.173 10 30 EGEEHM CNc1ccc(/C=C\C(=O)c2ccc([O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000096792766 454382398 /nfs/dbraw/zinc/38/23/98/454382398.db2.gz QNHFUKZJBDUXHD-DAXSKMNVSA-N -1 3 328.324 3.247 10 30 EGEEHM Cc1cncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)ccc2C)c1 ZINC000101715040 454481568 /nfs/dbraw/zinc/48/15/68/454481568.db2.gz WISSOVSPQSIXGI-CQSZACIVSA-N -1 3 327.771 3.313 10 30 EGEEHM N#Cc1ccc(CNCc2cc([O-])ccc2Br)c(F)c1 ZINC000178165232 454939882 /nfs/dbraw/zinc/93/98/82/454939882.db2.gz BUZSZGQZBHTTMT-UHFFFAOYSA-N -1 3 335.176 3.455 10 30 EGEEHM Cn1cc(C#N)cc1C([O-])=C(C#N)c1nc2ccccc2n1C(F)F ZINC000176100063 455540569 /nfs/dbraw/zinc/54/05/69/455540569.db2.gz SYCYBFZNVBOKIZ-NSHDSACASA-N -1 3 339.305 3.132 10 30 EGEEHM CCn1ncc(C(=O)[N-]c2sc3c(c2C#N)[C@H](C)[C@H](C)CC3)n1 ZINC000297863522 456312559 /nfs/dbraw/zinc/31/25/59/456312559.db2.gz OMAMLDAXORLBGR-NXEZZACHSA-N -1 3 329.429 3.169 10 30 EGEEHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(C)cc2)cc(OC)c1O ZINC000276971711 456636980 /nfs/dbraw/zinc/63/69/80/456636980.db2.gz HCJYGMSBDIZYPF-GOSISDBHSA-N -1 3 341.407 3.353 10 30 EGEEHM Cc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000362951494 457170796 /nfs/dbraw/zinc/17/07/96/457170796.db2.gz HIDQBMCOYHIWLI-UHFFFAOYSA-N -1 3 336.391 3.256 10 30 EGEEHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000340098210 457332847 /nfs/dbraw/zinc/33/28/47/457332847.db2.gz WZNBMHKVAFFPBT-MRXNPFEDSA-N -1 3 347.827 3.036 10 30 EGEEHM COc1ccc(CN(C[C@@H](C)C#N)C2CC2)c(Br)c1[O-] ZINC000355375265 457366845 /nfs/dbraw/zinc/36/68/45/457366845.db2.gz WVAFKBHGRIYLDE-JTQLQIEISA-N -1 3 339.233 3.287 10 30 EGEEHM C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC(F)(F)F ZINC000416592936 458350834 /nfs/dbraw/zinc/35/08/34/458350834.db2.gz CTLLWZZMZIBNQS-MRVPVSSYSA-N -1 3 340.754 3.078 10 30 EGEEHM COCc1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)co1 ZINC000547518662 458754526 /nfs/dbraw/zinc/75/45/26/458754526.db2.gz VONZCVWMRRTRPV-LLVKDONJSA-N -1 3 331.397 3.325 10 30 EGEEHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000567006133 459033312 /nfs/dbraw/zinc/03/33/12/459033312.db2.gz BKHQWFSTGRCADS-GFCCVEGCSA-N -1 3 335.256 3.351 10 30 EGEEHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2F)s1 ZINC000567423054 459103962 /nfs/dbraw/zinc/10/39/62/459103962.db2.gz VLSRZPNMRMEPNW-UHFFFAOYSA-N -1 3 336.413 3.115 10 30 EGEEHM Cc1cc([N-]S(=O)(=O)CCC(C)(C)C#N)cnc1C(F)(F)F ZINC000594698823 459133739 /nfs/dbraw/zinc/13/37/39/459133739.db2.gz FTSHMNHTWGOVAS-UHFFFAOYSA-N -1 3 335.351 3.090 10 30 EGEEHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccc(OC(F)(F)F)cc1 ZINC000540961628 459411212 /nfs/dbraw/zinc/41/12/12/459411212.db2.gz DOBBSYLPGAGXST-CQSZACIVSA-N -1 3 336.269 3.285 10 30 EGEEHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)C1CCC(F)CC1 ZINC000598364902 459879779 /nfs/dbraw/zinc/87/97/79/459879779.db2.gz BKJNUVNCGNPBFS-LRVUVFPRSA-N -1 3 347.434 3.241 10 30 EGEEHM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593530357 459917217 /nfs/dbraw/zinc/91/72/17/459917217.db2.gz JMJDRRVUQGAQSI-NSHDSACASA-N -1 3 336.438 3.058 10 30 EGEEHM N#Cc1sccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C1CC1 ZINC000593599683 459930915 /nfs/dbraw/zinc/93/09/15/459930915.db2.gz BWLXSCRXDNLYNO-CQSZACIVSA-N -1 3 332.450 3.092 10 30 EGEEHM Cc1ccccc1C1([N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593617710 459935655 /nfs/dbraw/zinc/93/56/55/459935655.db2.gz RAFAVWQCRMSZHG-UHFFFAOYSA-N -1 3 332.450 3.286 10 30 EGEEHM CC1(C)Cc2ccc(C(=O)N3Cc4ccc(C#N)cc4C3)c([O-])c2O1 ZINC000594398953 460205766 /nfs/dbraw/zinc/20/57/66/460205766.db2.gz IFDCBTAQOYGYBG-UHFFFAOYSA-N -1 3 334.375 3.133 10 30 EGEEHM CCCCCCCCCC(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899500493 1317057482 /nfs/dbraw/zinc/05/74/82/1317057482.db2.gz SUMQBOFQDSSTFY-UHFFFAOYSA-N -1 3 348.491 3.280 10 30 EGEEHM CC[C@H](NCc1nc2c(s1)COCC2)c1cccc(C#N)c1[O-] ZINC000927114754 1327873838 /nfs/dbraw/zinc/87/38/38/1327873838.db2.gz IKEPEMYVYOWQON-ZDUSSCGKSA-N -1 3 329.425 3.034 10 30 EGEEHM O=C(CC(F)(F)C(F)(F)F)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000869207785 1330437309 /nfs/dbraw/zinc/43/73/09/1330437309.db2.gz KOGGVHWKVZQFQG-BQBZGAKWSA-N -1 3 343.214 3.190 10 30 EGEEHM N#CCc1ccccc1C(=O)Nc1cc(Br)ccc1[O-] ZINC001138017522 1377667318 /nfs/dbraw/zinc/66/73/18/1377667318.db2.gz MVJANDKRUCVLML-UHFFFAOYSA-N -1 3 331.169 3.473 10 30 EGEEHM CCCCN([O-])C(=O)c1nn(-c2ccc(C)cc2F)c2c1CCC2 ZINC001161832377 1382523619 /nfs/dbraw/zinc/52/36/19/1382523619.db2.gz MKEAYFAHJFVRKV-UHFFFAOYSA-N -1 3 331.391 3.440 10 30 EGEEHM CC1CCN(c2ccc(C(=O)N([O-])Cc3ccc(F)cc3)cn2)CC1 ZINC001161842503 1382526599 /nfs/dbraw/zinc/52/65/99/1382526599.db2.gz HAZOVGINZUYZIP-UHFFFAOYSA-N -1 3 343.402 3.489 10 30 EGEEHM Cc1ccc(C(=O)NCC(=O)N([O-])CCCCc2ccccc2)s1 ZINC001306894805 1383916239 /nfs/dbraw/zinc/91/62/39/1383916239.db2.gz RJUMTRDHIYVORV-UHFFFAOYSA-N -1 3 346.452 3.027 10 30 EGEEHM CCCCCCN([O-])C(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 ZINC001306896664 1383916917 /nfs/dbraw/zinc/91/69/17/1383916917.db2.gz HPBRJOHKFKHYPZ-ZDUSSCGKSA-N -1 3 345.436 3.034 10 30 EGEEHM C=CCC1(C[N-]S(=O)(=O)c2cc(F)c(OC)cc2F)CCCC1 ZINC001309494514 1384183802 /nfs/dbraw/zinc/18/38/02/1384183802.db2.gz PUWSZNZNHMHYKB-UHFFFAOYSA-N -1 3 345.411 3.388 10 30 EGEEHM C=C(C)C[C@@H](C)C(=O)NC1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC001354182298 1392125680 /nfs/dbraw/zinc/12/56/80/1392125680.db2.gz WKBDFYYRCHUZNN-QQFBHYJXSA-N -1 3 344.455 3.152 10 30 EGEEHM C=C(C)CCC(=O)N1CC[C@@H](N(CCC)C(=O)c2ccccc2[O-])C1 ZINC001497743729 1396818078 /nfs/dbraw/zinc/81/80/78/1396818078.db2.gz KTXIVTVSQBXZEV-MRXNPFEDSA-N -1 3 344.455 3.202 10 30 EGEEHM C=CCC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001701793213 1415266491 /nfs/dbraw/zinc/26/64/91/1415266491.db2.gz AMPGIGYPWABPBP-GDBMZVCRSA-N -1 3 344.455 3.104 10 30 EGEEHM C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001721442157 1423342565 /nfs/dbraw/zinc/34/25/65/1423342565.db2.gz BJYLHSHXXPPMCF-JKSUJKDBSA-N -1 3 344.455 3.058 10 30 EGEEHM C=CCCCC(=O)N1CCCC[C@@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001735614248 1438566900 /nfs/dbraw/zinc/56/69/00/1438566900.db2.gz UEYQSYYZDLLVMW-MRXNPFEDSA-N -1 3 344.455 3.202 10 30 EGEEHM Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000089587592 258065948 /nfs/dbraw/zinc/06/59/48/258065948.db2.gz BJVFRXDOBKCCCL-UHFFFAOYSA-N -1 3 345.358 3.145 10 30 EGEEHM Cc1ccc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@H](C)C2)c(F)c1F ZINC000600668651 460561561 /nfs/dbraw/zinc/56/15/61/460561561.db2.gz RYKPEYFPOZZVQM-ZUZCIYMTSA-N -1 3 328.384 3.024 10 30 EGEEHM Cc1ccc(-c2nsc([N-]C(=O)c3ccc(C#N)nc3)n2)s1 ZINC000115057083 454994958 /nfs/dbraw/zinc/99/49/58/454994958.db2.gz WDOJBNDIAOYTJH-UHFFFAOYSA-N -1 3 327.394 3.094 10 30 EGEEHM C=CCC(F)(F)C(=O)[N-][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000294412209 455814492 /nfs/dbraw/zinc/81/44/92/455814492.db2.gz DZWAJURGUAHMLI-KBPBESRZSA-N -1 3 330.325 3.038 10 30 EGEEHM Cn1c(C(C#N)=C([O-])c2ccnc3ccncc32)nc2ccccc21 ZINC000340363494 456415046 /nfs/dbraw/zinc/41/50/46/456415046.db2.gz DLFPXMKSXXDCPM-CYBMUJFWSA-N -1 3 327.347 3.007 10 30 EGEEHM C=C(C)C[C@H](C)C(=O)N=c1[nH][n-]c(C)c1-c1ccc2c(c1)OCCO2 ZINC000345366293 456976953 /nfs/dbraw/zinc/97/69/53/456976953.db2.gz JXVCSGMZVGVXBL-LBPRGKRZSA-N -1 3 341.411 3.119 10 30 EGEEHM CS(=O)(=O)[N-]c1cc(C(=O)NCCC2CCCC2)ccc1F ZINC000330422186 457041039 /nfs/dbraw/zinc/04/10/39/457041039.db2.gz SGUDXCMQRXUHBO-UHFFFAOYSA-N -1 3 328.409 3.082 10 30 EGEEHM Cc1cc(C)cc(-c2cc(=NC(=O)Cc3cccc(C#N)c3)[nH][n-]2)c1 ZINC000531396024 458912843 /nfs/dbraw/zinc/91/28/43/458912843.db2.gz ATEIOLXCGBIYAI-UHFFFAOYSA-N -1 3 330.391 3.168 10 30 EGEEHM Cc1cc(C)c([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c(Cl)c1 ZINC000589976956 459058714 /nfs/dbraw/zinc/05/87/14/459058714.db2.gz OHODYGWFXZGFPP-UHFFFAOYSA-N -1 3 335.816 3.333 10 30 EGEEHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594771515 459152800 /nfs/dbraw/zinc/15/28/00/459152800.db2.gz UUWOPDFZFUXPFN-JJLQDPRZSA-N -1 3 332.450 3.158 10 30 EGEEHM CC(C)(C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000543642692 459679601 /nfs/dbraw/zinc/67/96/01/459679601.db2.gz FVAZRHQJXRIXDZ-UHFFFAOYSA-N -1 3 341.845 3.044 10 30 EGEEHM CCc1cccc(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000593339209 459852639 /nfs/dbraw/zinc/85/26/39/459852639.db2.gz GEARYASNHLARRI-UHFFFAOYSA-N -1 3 337.423 3.087 10 30 EGEEHM CCOC(=O)c1sc([N-]C(=O)c2nc(CC)oc2C)c(C#N)c1C ZINC000588816095 459985430 /nfs/dbraw/zinc/98/54/30/459985430.db2.gz PTIZKUBCQJRZBP-UHFFFAOYSA-N -1 3 347.396 3.216 10 30 EGEEHM Cc1nsc([N-]C(=O)c2ccc(OCC(F)(F)F)o2)c1C#N ZINC000594016440 460058054 /nfs/dbraw/zinc/05/80/54/460058054.db2.gz XFLUPMLVEXDAHT-UHFFFAOYSA-N -1 3 331.275 3.110 10 30 EGEEHM N#C[C@]1(F)CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000615645417 460366868 /nfs/dbraw/zinc/36/68/68/460366868.db2.gz NUEHCXJKRYZTFO-MRXNPFEDSA-N -1 3 344.371 3.094 10 30 EGEEHM N#C[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1Br ZINC000611565475 460401264 /nfs/dbraw/zinc/40/12/64/460401264.db2.gz IHOVJIFJSLRRAI-CQSZACIVSA-N -1 3 331.169 3.149 10 30 EGEEHM N#CC1(CNC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCCC1 ZINC000652717666 461328995 /nfs/dbraw/zinc/32/89/95/461328995.db2.gz PHZMHEOIHLNAIN-UHFFFAOYSA-N -1 3 348.402 3.437 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C(=O)C(C#N)=C([O-])c1nccn1C ZINC000179182654 1294777142 /nfs/dbraw/zinc/77/71/42/1294777142.db2.gz YZSMQZZVRORMTQ-CFRMROPGSA-N -1 3 327.771 3.069 10 30 EGEEHM CC(=Cc1ccc(Cl)cc1)C([O-])=C(C#N)C(=O)c1nccn1C ZINC000179182654 1294777149 /nfs/dbraw/zinc/77/71/49/1294777149.db2.gz YZSMQZZVRORMTQ-CFRMROPGSA-N -1 3 327.771 3.069 10 30 EGEEHM C=CCc1cccc(C(C)C)c1NC(=O)NCCCc1c[n-][nH]c1=O ZINC000931061872 1329039362 /nfs/dbraw/zinc/03/93/62/1329039362.db2.gz MQLSWRXUSNNFNL-HNNXBMFYSA-N -1 3 342.443 3.172 10 30 EGEEHM S=c1[n-]c2ccccc2nc1NN=Cc1cn(C2CCC2)nn1 ZINC000863125411 1329529913 /nfs/dbraw/zinc/52/99/13/1329529913.db2.gz VKWOMJWYFZLELZ-UHFFFAOYSA-N -1 3 325.401 3.055 10 30 EGEEHM CC[C@H](/N=C\c1c([O-])c(C)ncc1CO)c1cccc(OC)c1OC ZINC000864347115 1329609089 /nfs/dbraw/zinc/60/90/89/1329609089.db2.gz KNTTWVSLIAVEBN-QZPXRHMKSA-N -1 3 344.411 3.175 10 30 EGEEHM C=CCC1([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)CCCCC1 ZINC001190328448 1367228997 /nfs/dbraw/zinc/22/89/97/1367228997.db2.gz KMMFFKOURBZATG-UHFFFAOYSA-N -1 3 343.470 3.092 10 30 EGEEHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCCC2(CCCC2)C1 ZINC001121716283 1372057532 /nfs/dbraw/zinc/05/75/32/1372057532.db2.gz GBNZNNCMIAABII-UHFFFAOYSA-N -1 3 347.854 3.063 10 30 EGEEHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCCC2(CCCC2)C1 ZINC001121716283 1372057536 /nfs/dbraw/zinc/05/75/36/1372057536.db2.gz GBNZNNCMIAABII-UHFFFAOYSA-N -1 3 347.854 3.063 10 30 EGEEHM C=CCCCC(=O)N1CCCCC[C@H]1CNC(=O)c1ccccc1[O-] ZINC001280604598 1378359559 /nfs/dbraw/zinc/35/95/59/1378359559.db2.gz JMSOOBKNAMCQEQ-INIZCTEOSA-N -1 3 344.455 3.250 10 30 EGEEHM Cn1nc(Cl)c(C(=O)N([O-])Cc2ccccc2Cl)c1Cl ZINC001161807781 1382513347 /nfs/dbraw/zinc/51/33/47/1382513347.db2.gz NZGORJLRMPSYMO-UHFFFAOYSA-N -1 3 334.590 3.412 10 30 EGEEHM Cc1c(C(=O)N([O-])Cc2ccccc2Cl)cnn1-c1ccncc1 ZINC001161807147 1382513632 /nfs/dbraw/zinc/51/36/32/1382513632.db2.gz DGJMPGYTONCMDR-UHFFFAOYSA-N -1 3 342.786 3.261 10 30 EGEEHM CCCCN([O-])C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 ZINC001161832494 1382523910 /nfs/dbraw/zinc/52/39/10/1382523910.db2.gz ODJRMPUPFFEPLO-MRXNPFEDSA-N -1 3 336.432 3.345 10 30 EGEEHM C=CCCCC(=O)N(C)CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001296878437 1383081156 /nfs/dbraw/zinc/08/11/56/1383081156.db2.gz URNPSZCZHSQCEM-UHFFFAOYSA-N -1 3 344.455 3.059 10 30 EGEEHM C=C[C@H](CC)CC(=O)N[C@](C)(CNC(=O)c1ccccc1[O-])C1CC1 ZINC001297573661 1383187469 /nfs/dbraw/zinc/18/74/69/1383187469.db2.gz CFBUGRHFYGEORO-JLTOFOAXSA-N -1 3 344.455 3.009 10 30 EGEEHM N#Cc1cccc(NC2CN(C(=O)c3cc([O-])c4ccccc4c3)C2)c1 ZINC001301639602 1383724557 /nfs/dbraw/zinc/72/45/57/1383724557.db2.gz OYWFSTIGCXEASO-UHFFFAOYSA-N -1 3 343.386 3.354 10 30 EGEEHM CCCCCCN([O-])C(=O)c1nn(CC(C)C)c(=O)c2ccccc21 ZINC001306896871 1383916868 /nfs/dbraw/zinc/91/68/68/1383916868.db2.gz PPPBSZTVKVWBBJ-UHFFFAOYSA-N -1 3 345.443 3.464 10 30 EGEEHM CCCCCCN([O-])C(=O)C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC001306896549 1383917106 /nfs/dbraw/zinc/91/71/06/1383917106.db2.gz BNRHFXJUAXBVQZ-AWEZNQCLSA-N -1 3 328.453 3.478 10 30 EGEEHM COc1cc(C(=O)N([O-])Cc2ccc(F)cc2)cc2c1O[C@H](C)C2 ZINC001306900348 1383917438 /nfs/dbraw/zinc/91/74/38/1383917438.db2.gz MDBDRYDUFMQKPZ-LLVKDONJSA-N -1 3 331.343 3.189 10 30 EGEEHM Cc1cccc2c1CCC[C@@H]2/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001330080241 1389303047 /nfs/dbraw/zinc/30/30/47/1389303047.db2.gz WCDLDYACMRQSSU-INIZCTEOSA-N -1 3 326.421 3.111 10 30 EGEEHM CCn1ccnc1C(C#N)=C([O-])C1=Cc2ccccc2O[C@H]1C(F)F ZINC001346097229 1390907351 /nfs/dbraw/zinc/90/73/51/1390907351.db2.gz ZQVKOWNKUSRYJX-CZUORRHYSA-N -1 3 343.333 3.189 10 30 EGEEHM C=C(C)CCC(=O)N(CCCNC(=O)c1ccccc1[O-])C(C)C ZINC001721254736 1423206259 /nfs/dbraw/zinc/20/62/59/1423206259.db2.gz FMTXUMDCPDLAAZ-UHFFFAOYSA-N -1 3 332.444 3.105 10 30 EGEEHM C=C(C)CCC(=O)N1CCCC[C@H]1CN(C)C(=O)c1ccccc1[O-] ZINC001736301268 1438674814 /nfs/dbraw/zinc/67/48/14/1438674814.db2.gz XVZMVUNEENSHRB-INIZCTEOSA-N -1 3 344.455 3.202 10 30 EGEEHM C=CC(C)(C)CC(=O)NCC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC001738169479 1439020228 /nfs/dbraw/zinc/02/02/28/1439020228.db2.gz SWXZMVXOZRZMDH-UHFFFAOYSA-N -1 3 344.455 3.153 10 30 EGEEHM C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001738605284 1439152388 /nfs/dbraw/zinc/15/23/88/1439152388.db2.gz XIUZYTXSMAPSJN-GDBMZVCRSA-N -1 3 344.455 3.009 10 30 EGEEHM C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2[O-])C1 ZINC001739199700 1439296447 /nfs/dbraw/zinc/29/64/47/1439296447.db2.gz VOOGFURHRIAFKY-HUUCEWRRSA-N -1 3 344.455 3.104 10 30 EGEEHM